THERMAL CONDUCTIVITY OF SATURATED H2O AND D2O This table gives the thermal conductivity λ for water (H2O or D2O) in equilibrium with its vapor. Values for the liquid (λl) and vapor (λv) are listed, as well as the vapor pressure.
t/°C 0 10 20 30 40 50 60 70 80 90 100 150 200 250 300 350
P/kPa 0.6 1.2 2.3 4.2 7.4 12.3 19.9 31.2 47.4 70.1 101.3 476 1555 3978 8593 16530
H2O λ l / (mW/K m) 561.0 580.0 598.4 615.4 630.5 643.5 654.3 663.1 670.0 675.3 679.1 682.1 663.4 621.4 547.7 447.6
λ v / (mW/K m) 16.49 17.21 17.95 18.70 19.48 20.28 21.10 21.96 22.86 23.80 24.79 30.77 39.10 51.18 71.78 134.59
References 1. Sengers, J.V. and Watson, J.T.R., Improved international formulations for the viscosity and thermal conductivity of water substance, J. Phys. Chem. Ref. Data, 15, 1291, 1986. 2. Matsunaga, N. and Nagashima, A., Transport properties of liquid and gaseous D2O over a wide range of temperature and pressure, J. Phys. Chem. Ref. Data, 12, 933, 1983.
P/kPa 1.0 2.0 3.7 6.5 11.1 18.2 28.8 44.2 66.1 96.2 465 1546 3995 8688 16820
D2O λ l / (mW/K m) 575 589 600 610 618 625 629 633 635 636 625 592 541 473 391
λ v / (mW/K m) 17.0 17.8 18.5 19.3 20.2 21.0 21.9 22.8 23.8 24.8 30.8 39.0 52.0 75.2 143.0
6-3
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STANDARD DENSITY OF WATER This table gives the density ρ of water in the temperature range from 0°C to 100°C at a pressure of 101325 Pa (one standard atmosphere). From 0°C to 40°C the values are taken from the IUPAC publication in Reference 1 and refer to standard mean ocean water (SMOW), free from dissolved salts and gases. SMOW is a standard water sample of high purity and known isotopic composition. Methods of correcting for different isotopic compositions are discussed in Reference 1. The remaining values are taken from the NIST Chemistry WebBook, Reference 2. Note that the IUPAC values refer to the IPTS-68 temperature scale, while the NIST values are based on the ITS-90 scale (where the normal boiling point is 99.974°C). The conversion between these scales can be found in Sec. 1. The difference between the scales leads to a difference in the density of water of about 20 ppm in the neighborhood of 100°C and much less at lower temperatures. t/°C 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0 1.1 1.2 1.3 1.4 1.5 1.6 1.7 1.8 1.9 2.0 2.1 2.2 2.3 2.4 2.5 2.6 2.7 2.8 2.9 3.0 3.1 3.2 3.3 3.4 3.5 3.6 3.7 3.8 3.9 4.0 4.1 4.2
ρ/g cm–3 0.9998493 0.9998558 0.9998622 0.9998683 0.9998743 0.9998801 0.9998857 0.9998912 0.9998964 0.9999015 0.9999065 0.9999112 0.9999158 0.9999202 0.9999244 0.9999284 0.9999323 0.9999360 0.9999395 0.9999429 0.9999461 0.9999491 0.9999519 0.9999546 0.9999571 0.9999595 0.9999616 0.9999636 0.9999655 0.9999672 0.9999687 0.9999700 0.9999712 0.9999722 0.9999731 0.9999738 0.9999743 0.9999747 0.9999749 0.9999750 0.9999748 0.9999746
t/°C 4.3 4.4 4.5 4.6 4.7 4.8 4.9 5.0 5.1 5.2 5.3 5.4 5.5 5.6 5.7 5.8 5.9 6.0 6.1 6.2 6.3 6.4 6.5 6.6 6.7 6.8 6.9 7.0 7.1 7.2 7.3 7.4 7.5 7.6 7.7 7.8 7.9 8.0 8.1 8.2 8.3 8.4
ρ/g cm–3 0.9999742 0.9999736 0.9999728 0.9999719 0.9999709 0.9999696 0.9999683 0.9999668 0.9999651 0.9999632 0.9999612 0.9999591 0.9999568 0.9999544 0.9999518 0.9999490 0.9999461 0.9999430 0.9999398 0.9999365 0.9999330 0.9999293 0.9999255 0.9999216 0.9999175 0.9999132 0.9999088 0.9999043 0.9998996 0.9998948 0.9998898 0.9998847 0.9998794 0.9998740 0.9998684 0.9998627 0.9998569 0.9998509 0.9998448 0.9998385 0.9998321 0.9998256
t/°C 8.5 8.6 8.7 8.8 8.9 9.0 9.1 9.2 9.3 9.4 9.5 9.6 9.7 9.8 9.9 10.0 10.1 10.2 10.3 10.4 10.5 10.6 10.7 10.8 10.9 11.0 11.1 11.2 11.3 11.4 11.5 11.6 11.7 11.8 11.9 12.0 12.1 12.2 12.3 12.4 12.5 12.6
References 1. Marsh, K. N., Ed., Recommended Reference Materials for the Realization of Physicochemical Properties, Blackwell Scientific Publications, Oxford, 1987. 2. Lemmon, E.W., McLinden, M.O., and Friend, D.G., “Thermophysical Properties of Fluid Systems” in NIST Chemistry WebBook, NIST Standard Reference Database Number 69, Eds. P.J. Linstrom and W.G. Mallard, June 2005, National Institute of Standards and Technology, Gaithersburg MD, 20899 (http://webbook.nist.gov). 3. Wagner, W., and Pruss, A., “The IAPWS formulation 1995 for the thermodynamic properties of ordinary water substance for general and scientific use”, J. Phys. Chem. Ref. Data 31, 387-535, 2002. 4. Saul, A., and Wagner, W., “A Fundamental Equation for Water Covering the Range From the Melting Line to 1273 K at Pressures up to 25000 MPa”, J. Phys. Chem. Ref. Data 18, 1537-1564, 1989.
ρ/g cm–3 0.9998189 0.9998121 0.9998051 0.9997980 0.9997908 0.9997834 0.9997759 0.9997682 0.9997604 0.9997525 0.9997444 0.9997362 0.9997279 0.9997194 0.9997108 0.9997021 0.9996932 0.9996842 0.9996751 0.9996658 0.9996564 0.9996468 0.9996372 0.9996274 0.9996174 0.9996074 0.9995972 0.9995869 0.9995764 0.9995658 0.9995551 0.9995443 0.9995333 0.9995222 0.9995110 0.9994996 0.9994882 0.9994766 0.9994648 0.9994530 0.9994410 0.9994289
t/°C 12.7 12.8 12.9 13.0 13.1 13.2 13.3 13.4 13.5 13.6 13.7 13.8 13.9 14.0 14.1 14.2 14.3 14.4 14.5 14.6 14.7 14.8 14.9 15.0 15.1 15.2 15.3 15.4 15.5 15.6 15.7 15.8 15.9 16.0 16.1 16.2 16.3 16.4 16.5 16.6 16.7 16.8
ρ/g cm–3 0.9994167 0.9994043 0.9993918 0.9993792 0.9993665 0.9993536 0.9993407 0.9993276 0.9993143 0.9993010 0.9992875 0.9992740 0.9992602 0.9992464 0.9992325 0.9992184 0.9992042 0.9991899 0.9991755 0.9991609 0.9991463 0.9991315 0.9991166 0.9991016 0.9990864 0.9990712 0.9990558 0.9990403 0.9990247 0.9990090 0.9989932 0.9989772 0.9989612 0.9989450 0.9989287 0.9989123 0.9988957 0.9988791 0.9988623 0.9988455 0.9988285 0.9988114
t/°C 16.9 17.0 17.1 17.2 17.3 17.4 17.5 17.6 17.7 17.8 17.9 18.0 18.1 18.2 18.3 18.4 18.5 18.6 18.7 18.8 18.9 19.0 19.1 19.2 19.3 19.4 19.5 19.6 19.7 19.8 19.9 20.0 20.1 20.2 20.3 20.4 20.5 20.6 20.7 20.8 20.9 21.0
ρ/g cm–3 0.9987942 0.9987769 0.9987595 0.9987419 0.9987243 0.9987065 0.9986886 0.9986706 0.9986525 0.9986343 0.9986160 0.9985976 0.9985790 0.9985604 0.9985416 0.9985228 0.9985038 0.9984847 0.9984655 0.9984462 0.9984268 0.9984073 0.9983877 0.9983680 0.9983481 0.9983282 0.9983081 0.9982880 0.9982677 0.9982474 0.9982269 0.9982063 0.9981856 0.9981649 0.9981440 0.9981230 0.9981019 0.9980807 0.9980594 0.9980380 0.9980164 0.9979948
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Standard Density of Water t/°C 21.1 21.2 21.3 21.4 21.5 21.6 21.7 21.8 21.9 22.0 22.1 22.2 22.3 22.4 22.5 22.6 22.7 22.8 22.9 23.0 23.1 23.2 23.3 23.4 23.5 23.6 23.7 23.8 23.9 24.0 24.1 24.2 24.3 24.4 24.5 24.6 24.7 24.8 24.9 25.0 25.1 25.2 25.3 25.4 25.5 25.6 25.7 25.8 25.9 26.0
487_S06.indb 5
ρ/g cm–3 0.9979731 0.9979513 0.9979294 0.9979073 0.9978852 0.9978630 0.9978406 0.9978182 0.9977957 0.9977730 0.9977503 0.9977275 0.9977045 0.9976815 0.9976584 0.9976351 0.9976118 0.9975883 0.9975648 0.9975412 0.9975174 0.9974936 0.9974697 0.9974456 0.9974215 0.9973973 0.9973730 0.9973485 0.9973240 0.9972994 0.9972747 0.9972499 0.9972250 0.9972000 0.9971749 0.9971497 0.9971244 0.9970990 0.9970735 0.9970480 0.9970223 0.9969965 0.9969707 0.9969447 0.9969186 0.9968925 0.9968663 0.9968399 0.9968135 0.9967870
t/°C 26.1 26.2 26.3 26.4 26.5 26.6 26.7 26.8 26.9 27.0 27.1 27.2 27.3 27.4 27.5 27.6 27.7 27.8 27.9 28.0 28.1 28.2 28.3 28.4 28.5 28.6 28.7 28.8 28.9 29.0 29.1 29.2 29.3 29.4 29.5 29.6 29.7 29.8 29.9 30.0 30.1 30.2 30.3 30.4 30.5 30.6 30.7 30.8 30.9 31.0
6-5 ρ/g cm–3 0.9967604 0.9967337 0.9967069 0.9966800 0.9966530 0.9966259 0.9965987 0.9965714 0.9965441 0.9965166 0.9964891 0.9964615 0.9964337 0.9964059 0.9963780 0.9963500 0.9963219 0.9962938 0.9962655 0.9962371 0.9962087 0.9961801 0.9961515 0.9961228 0.9960940 0.9960651 0.9960361 0.9960070 0.9959778 0.9959486 0.9959192 0.9958898 0.9958603 0.9958306 0.9958009 0.9957712 0.9957413 0.9957113 0.9956813 0.9956511 0.9956209 0.9955906 0.9955602 0.9955297 0.9954991 0.9954685 0.9954377 0.9954069 0.9953760 0.9953450
t/°C 31.1 31.2 31.3 31.4 31.5 31.6 31.7 31.8 31.9 32.0 32.1 32.2 32.3 32.4 32.5 32.6 32.7 32.8 32.9 33.0 33.1 33.2 33.3 33.4 33.5 33.6 33.7 33.8 33.9 34.0 34.1 34.2 34.3 34.4 34.5 34.6 34.7 34.8 34.9 35.0 35.1 35.2 35.3 35.4 35.5 35.6 35.7 35.8 35.9 36.0
ρ/g cm–3 0.9953139 0.9952827 0.9952514 0.9952201 0.9951887 0.9951572 0.9951255 0.9950939 0.9950621 0.9950302 0.9949983 0.9949663 0.9949342 0.9949020 0.9948697 0.9948373 0.9948049 0.9947724 0.9947397 0.9947071 0.9946743 0.9946414 0.9946085 0.9945755 0.9945423 0.9945092 0.9944759 0.9944425 0.9944091 0.9943756 0.9943420 0.9943083 0.9942745 0.9942407 0.9942068 0.9941728 0.9941387 0.9941045 0.9940703 0.9940359 0.9940015 0.9939671 0.9939325 0.9938978 0.9938631 0.9938283 0.9937934 0.9937585 0.9937234 0.9936883
t/°C 36.1 36.2 36.3 36.4 36.5 36.6 36.7 36.8 36.9 37.0 37.1 37.2 37.3 37.4 37.5 37.6 37.7 37.8 37.9 38.0 38.1 38.2 38.3 38.4 38.5 38.6 38.7 38.8 38.9 39.0 39.1 39.2 39.3 39.4 39.5 39.6 39.7 39.8 39.9 40.0 41.0 42.0 43.0 44.0 45.0 46.0 47.0 48.0 49.0 50.0
ρ/g cm–3 0.9936531 0.9936178 0.9935825 0.9935470 0.9935115 0.9934759 0.9934403 0.9934045 0.9933687 0.9933328 0.9932968 0.9932607 0.9932246 0.9931884 0.9931521 0.9931157 0.9930793 0.9930428 0.9930062 0.9929695 0.9929328 0.9928960 0.9928591 0.9928221 0.9927850 0.9927479 0.9927107 0.9926735 0.9926361 0.9925987 0.9925612 0.9925236 0.9924860 0.9924483 0.9924105 0.9923726 0.9923347 0.9922966 0.9922586 0.9922204 0.99183 0.99144 0.99104 0.99063 0.99021 0.98979 0.98936 0.98893 0.98848 0.98804
t/°C ρ/g cm–3 51.0 0.98758 52.0 0.98712 53.0 0.98665 54.0 0.98617 55.0 0.98569 56.0 0.98521 57.0 0.98471 58.0 0.98421 59.0 0.98371 60.0 0.98320 61.0 0.98268 62.0 0.98216 63.0 0.98163 64.0 0.98109 65.0 0.98055 66.0 0.98000 67.0 0.97945 68.0 0.97890 69.0 0.97833 70.0 0.97776 71.0 0.97719 72.0 0.97661 73.0 0.97603 74.0 0.97544 75.0 0.97484 76.0 0.97424 77.0 0.97364 78.0 0.97303 79.0 0.97241 80.0 0.97179 81.0 0.97116 82.0 0.97053 83.0 0.96990 84.0 0.96926 85.0 0.96861 86.0 0.96796 87.0 0.96731 88.0 0.96664 89.0 0.96598 90.0 0.96531 91.0 0.96463 92.0 0.96396 93.0 0.96327 94.0 0.96258 95.0 0.96189 96.0 0.96119 97.0 0.96049 98.0 0.95978 99.0 0.95907 99.974 0.95837
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VOLUMETRIC PROPERTIES OF AQUEOUS SODIUM CHLORIDE SOLUTIONS This table gives the following properties of aqueous solutions of NaCl as a function of temperature and concentration: Specific volume v (reciprocal of density) in cm3/g Isothermal compressibility κT = -(1/v)(∂v/∂P)T in GPa-1 Cubic expansion coefficient αv = (1/v)(∂v/∂T)P in kK-1
t/°C
0.100
0.250
487_S06.indb 7
Reference Rogers, P. S. Z., and Pitzer, K. S., J. Phys. Chem. Ref. Data, 11, 15, 1982.
Molality in mol/kg 0.750 1.000
2.000
3.000
4.000
5.000
Specific volume v in cm3/g 0 0.995732 10 0.995998 20 0.997620 25 0.998834 30 1.000279 40 1.003796 50 1.008064 60 1.0130 70 1.0186 80 1.0249 90 1.0317 100 1.0391
0.989259 0.989781 0.991564 0.992832 0.994319 0.997883 1.002161 1.0071 1.0127 1.0188 1.0256 1.0329
0.978889 0.979804 0.981833 0.983185 0.984735 0.988374 0.992668 0.9976 1.0031 1.0092 1.0157 1.0228
0.968991 0.970256 0.972505 0.973932 0.975539 0.979243 0.983551 0.9885 0.9939 0.9999 1.0063 1.0133
0.959525 0.961101 0.963544 0.965038 0.966694 0.970455 0.974772 0.9797 0.9851 0.9909 0.9972 1.0040
0.925426 0.927905 0.930909 0.932590 0.934382 0.938287 0.942603 0.9474 0.9526 0.9581 0.9640 0.9703
0.896292 0.899262 0.902565 0.904339 0.906194 0.910145 0.914411 0.9191 0.9240 0.9293 0.9348 0.9406
0.870996 0.874201 0.877643 0.879457 0.881334 0.885276 0.889473 0.8940 0.8987 0.9037 0.9089 0.9144
0.848646 0.851958 0.855469 0.857301 0.859185 0.863108 0.867241 0.8716 0.8762 0.8809 0.8858 0.8910
Compressibility κT in GPa–1 0 0.503 10 0.472 20 0.453 25 0.447 30 0.443 40 0.438 50 0.438 60 0.44 70 0.45 80 0.46 90 0.47 100 0.49
0.492 0.463 0.446 0.440 0.436 0.432 0.431 0.44 0.44 0.45 0.47 0.48
0.475 0.449 0.433 0.428 0.425 0.421 0.421 0.43 0.43 0.44 0.46 0.47
0.459 0.436 0.422 0.417 0.414 0.411 0.411 0.42 0.42 0.43 0.45 0.46
0.443 0.423 0.411 0.407 0.404 0.401 0.402 0.41 0.42 0.43 0.44 0.45
0.389 0.377 0.371 0.369 0.367 0.367 0.369 0.38 0.38 0.39 0.41 0.42
0.346 0.341 0.338 0.337 0.337 0.338 0.340 0.35 0.36 0.37 0.38 0.39
0.315 0.313 0.313 0.313 0.313 0.315 0.317 0.32 0.33 0.34 0.35 0.37
0.294 0.294 0.294 0.294 0.294 0.296 0.299 0.30 0.31 0.32 0.33 0.34
0.024 0.156 0.254 0.296 0.334 0.402 0.464 0.52 0.58 0.63 0.67 0.72
0.069 0.186 0.274 0.312 0.347 0.410 0.467 0.52 0.57 0.62 0.67 0.71
0.110 0.213 0.292 0.327 0.359 0.417 0.470 0.52 0.57 0.61 0.66 0.70
0.237 0.297 0.349 0.373 0.395 0.438 0.479 0.52 0.56 0.60 0.63 0.66
0.313 0.349 0.384 0.401 0.418 0.451 0.484 0.52 0.55 0.58 0.61 0.64
0.355 0.380 0.406 0.420 0.433 0.460 0.486 0.52 0.54 0.56 0.59 0.61
Cubic expansion coefficient αV in kK–1 0 –0.058 –0.026 0.123 10 0.102 0.232 20 0.218 0.278 25 0.267 0.320 30 0.311 0.394 40 0.389 0.460 50 0.458 0.52 60 0.52 0.58 70 0.58 0.63 80 0.64 0.68 90 0.69 0.73 100 0.74
0.500
All data refer to a pressure of 100 kPa (1 bar). The reference gives properties over a wider range of temperature and pressure.
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DENSITY OF D2O Reference
Density of liquid D2O in g/cm3 at a pressure of 100 kPa (1 bar).
Kirillin, V.A., Ed., Heavy Water: Thermophysical Properties, Gosudarstvennoe Energeticheskoe Izdatel’stvo, Moscow, 1963. t/°C
3.8
5
Density
1.1053
1.1055
t/°C Density t/°C Density
Section6.indb 7
35 1.1019 70 1.0847
40 1.1001 75 1.0815
10 1.1057 45 1.0979 80 1.0783
15 1.1056 50 1.0957 85 1.0748
20 1.105 55 1.0931 90 1.0712
25 1.1044 60 1.0905 95 1.0673
30 1.1034 65 1.0875 100 1.0635
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VAPOR PRESSURE OF ICE The values of the vapor (sublimation) pressure of ice in this table were calculated from the equation recommended by the International Association for the Properties of Steam (IAPS) in 1993. Temperature values correspond to the ITS-90 temperature scale. The uncertainty in the pressure is estimated to be 0.1% for t > –25°C and 0.5% for t < –25°C. The first entry in the table is the triple point of water. t/°C 0.01 0 –1 –2 –3 –4 –5 –6 –7 –8 –9 –10 –11 –12 –13 –14 –15
Section6.indb 7
p/Pa 611.657 611.15 562.67 517.72 476.06 437.47 401.76 368.73 338.19 309.98 283.94 259.90 237.74 217.32 198.52 181.22 165.30
t/°C –16 –17 –18 –19 –20 –21 –22 –23 –24 –25 –26 –27 –28 –29 –30 –31 –32
Reference Wagner, W., Saul, A., and Pruss, A., J. Phys. Chem. Ref. Data, 23, 515, 1994.
p/Pa 150.68 137.25 124.92 113.62 103.26 93.77 85.10 77.16 69.91 63.29 57.25 51.74 46.73 42.16 38.01 34.24 30.82
t/°C –33 –34 –35 –36 –37 –38 –39 –40 –45 –50 –55 –60 –65 –70 –75 –80
p/Pa 27.71 24.90 22.35 20.04 17.96 16.07 14.37 12.84 7.202 3.936 2.093 1.080 0.540 0.261 0.122 0.055
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VAPOR PRESSURE OF WATER FROM 0 TO 370°C This table gives the vapor pressure of water at intervals of 1° C from the melting point to the critical point.
t/°C 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51
P/kPa 0.61129 0.65716 0.70605 0.75813 0.81359 0.87260 0.93537 1.0021 1.0730 1.1482 1.2281 1.3129 1.4027 1.4979 1.5988 1.7056 1.8185 1.9380 2.0644 2.1978 2.3388 2.4877 2.6447 2.8104 2.9850 3.1690 3.3629 3.5670 3.7818 4.0078 4.2455 4.4953 4.7578 5.0335 5.3229 5.6267 5.9453 6.2795 6.6298 6.9969 7.3814 7.7840 8.2054 8.6463 9.1075 9.5898 10.094 10.620 11.171 11.745 12.344 12.970
t/°C 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103
P/kPa 13.623 14.303 15.012 15.752 16.522 17.324 18.159 19.028 19.932 20.873 21.851 22.868 23.925 25.022 26.163 27.347 28.576 29.852 31.176 32.549 33.972 35.448 36.978 38.563 40.205 41.905 43.665 45.487 47.373 49.324 51.342 53.428 55.585 57.815 60.119 62.499 64.958 67.496 70.117 72.823 75.614 78.494 81.465 84.529 87.688 90.945 94.301 97.759 101.32 104.99 108.77 112.66
Reference Haar, L., Gallagher, J. S., and Kell, G. S., NBS/NRC Steam Tables, Hemisphere Publishing Corp., New York, 1984. t/°C 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155
P/kPa 116.67 120.79 125.03 129.39 133.88 138.50 143.24 148.12 153.13 158.29 163.58 169.02 174.61 180.34 186.23 192.28 198.48 204.85 211.38 218.09 224.96 232.01 239.24 246.66 254.25 262.04 270.02 278.20 286.57 295.15 303.93 312.93 322.14 331.57 341.22 351.09 361.19 371.53 382.11 392.92 403.98 415.29 426.85 438.67 450.75 463.10 475.72 488.61 501.78 515.23 528.96 542.99
t/°C 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207
P/kPa 557.32 571.94 586.87 602.11 617.66 633.53 649.73 666.25 683.10 700.29 717.83 735.70 753.94 772.52 791.47 810.78 830.47 850.53 870.98 891.80 913.03 934.64 956.66 979.09 1001.9 1025.2 1048.9 1073.0 1097.5 1122.5 1147.9 1173.8 1200.1 1226.9 1254.2 1281.9 1310.1 1338.8 1368.0 1397.6 1427.8 1458.5 1489.7 1521.4 1553.6 1586.4 1619.7 1653.6 1688.0 1722.9 1758.4 1794.5
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Vapor Pressure of Water from 0 to 370°C t/°C 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249
Section6.indb 9
P/kPa 1831.1 1868.4 1906.2 1944.6 1983.6 2023.2 2063.4 2104.2 2145.7 2187.8 2230.5 2273.8 2317.8 2362.5 2407.8 2453.8 2500.5 2547.9 2595.9 2644.6 2694.1 2744.2 2795.1 2846.7 2899.0 2952.1 3005.9 3060.4 3115.7 3171.8 3228.6 3286.3 3344.7 3403.9 3463.9 3524.7 3586.3 3648.8 3712.1 3776.2 3841.2 3907.0
t/°C 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291
6-9 P/kPa 3973.6 4041.2 4109.6 4178.9 4249.1 4320.2 4392.2 4465.1 4539.0 4613.7 4689.4 4766.1 4843.7 4922.3 5001.8 5082.3 5163.8 5246.3 5329.8 5414.3 5499.9 5586.4 5674.0 5762.7 5852.4 5943.1 6035.0 6127.9 6221.9 6317.0 6413.2 6510.5 6608.9 6708.5 6809.2 6911.1 7014.1 7118.3 7223.7 7330.2 7438.0 7547.0
t/°C 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333
P/kPa 7657.2 7768.6 7881.3 7995.2 8110.3 8226.8 8344.5 8463.5 8583.8 8705.4 8828.3 8952.6 9078.2 9205.1 9333.4 9463.1 9594.2 9726.7 9860.5 9995.8 10133 10271 10410 10551 10694 10838 10984 11131 11279 11429 11581 11734 11889 12046 12204 12364 12525 12688 12852 13019 13187 13357
t/°C 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 373.98
P/kPa 13528 13701 13876 14053 14232 14412 14594 14778 14964 15152 15342 15533 15727 15922 16120 16320 16521 16725 16931 17138 17348 17561 17775 17992 18211 18432 18655 18881 19110 19340 19574 19809 20048 20289 20533 20780 21030 21283 21539 21799 22055
4/29/05 4:17:01 PM
BOILING POINT OF WATER AT VARIOUS PRESSURES Data are based on the equation of state recommended by the International Association for the Properties of Steam in 1984, as presented in Haar, Gallagher, and Kell, NBS-NRC Steam Tables
P/mbar 50 100 150 200 250 300 350 400 450 500 550 600 650 700 750 800 850 900 905 910
T/째C 32.88 45.82 53.98 60.07 64.98 69.11 72.70 75.88 78.74 81.34 83.73 85.95 88.02 89.96 91.78 93.51 95.15 96.71 96.87 97.02
P/mbar 915 920 925 930 935 940 945 950 955 960 965 970 975 980 985 990 995 1000 1005 1010
T/째C 97.17 97.32 97.47 97.62 97.76 97.91 98.06 98.21 98.35 98.50 98.64 98.78 98.93 99.07 99.21 99.35 99.49 99.63 99.77 99.91
(Hemisphere Publishing Corp., New York, 1984). The temperature scale is IPTS-68. Note that: 1 mbar = 100 Pa = 0.000986923 atmos = 0.750062 mmHg. P/mbar 1013.25 1015 1020 1025 1030 1035 1040 1045 1050 1055 1060 1065 1070 1075 1080 1085 1090 1095 1100 1150
T/째C 100.00 100.05 100.19 100.32 100.46 100.60 100.73 100.87 101.00 101.14 101.27 101.40 101.54 101.67 101.80 101.93 102.06 102.19 102.32 103.59
P/mbar 1200 1250 1300 1350 1400 1450 1500 1550 1600 1650 1700 1750 1800 1850 1900 1950 2000 2050 2100 2150
T/째C 104.81 105.99 107.14 108.25 109.32 110.36 111.38 112.37 113.33 114.26 115.18 116.07 116.94 117.79 118.63 119.44 120.24 121.02 121.79 122.54
6-10
Section6.indb 10
4/29/05 4:17:02 PM
MELTING POINT OF ICE AS A FUNCTION OF PRESSURE This table gives values of the melting temperature of ice at various pressures, as calculated from the equation for the ice I liquid water phase boundary recommended by the International Association for the Properties of Steam (IAPS). Temperatures are on the ITS-90 scale. See the Reference for information on forms of ice that exist at higher pressures. The transition points for transformations of the various forms of ice (in each case in equilibrium with liquid water) are:
ice I - ice III ice III - ice V ice V - ice VI ice VI - ice VII
209.9 MPa 350.1 632.4 2216
–21.985°C –16.986 0.16 82
Reference Wagner, W., Saul, A., and Pruss, A., J. Phys. Chem. Ref. Data, 23, 515, 1994.
p/MPa 0.1 1 2 3 4 5 10 20 30
Section6.indb 10
t/°C 0.00 −0.06 −0.14 −0.21 −0.29 −0.36 −0.74 −1.52 −2.32
p/MPa 40 50 60 70 80 90 100 110 120
t/°C −3.15 −4.02 −4.91 −5.83 −6.79 −7.78 −8.80 −9.86 −10.95
p/MPa 130 140 150 160 170 180 190 200 210
t/°C −12.07 −13.22 −14.40 −15.62 −16.85 −18.11 −19.39 −20.69 −22.00
4/29/05 4:17:02 PM
PROPERTIES OF WATER AND STEAM AS A FUNCTION OF TEMPERATURE AND PRESSURE This table gives properties of compressed water and superheated steam at selected pressures and temperatures. The properties included are density ρ, enthalpy H, entropy S, heat capacity at constant pressure Cp, and static dielectric constant (relative permittivity). The table was generated from the formulation approved by the International Association for the Properties of Water and Steam for general and scientific use. The reference state for this table is the liquid at the triple point, at which the internal energy and entropy are taken as zero. A duplicate entry in the temperature column indicates a phase transition (liquid–vapor) at that temperature; property values are then given for both phases. In the 100 MPa section of the table, an entry is given at the critical temperature, 647.10 K. Temperatures refer to the ITS-90 scale, on which the normal boiling point of water is 373.12 K (99.97°C). p/MPa 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
T/K 273.16 300 325 350 372.76 372.76 375 400 450 500 550 600 650 700 750 800 850 900 950 1000 1050 1100 1150 1200 273.16 300 325 350 375 400 450 453.03 453.03 500 550 600 650 700 750 800 850 900
ρ/kg m–3 999.84 996.56 987.19 973.73 958.63 0.59034 0.58653 0.54761 0.48458 0.43514 0.39507 0.36185 0.33384 0.30988 0.28915 0.27102 0.25504 0.24085 0.22815 0.21673 0.20640 0.19701 0.18844 0.18058 1000.3 996.96 987.58 974.13 957.43 937.87 890.39 887.13 5.1450 4.5323 4.0581 3.6871 3.3843 3.1305 2.9140 2.7265 2.5624 2.4174
H/J g–1 0.10 112.65 217.15 321.84 417.50 2674.9 2679.6 2730.4 2829.7 2928.6 3028.1 3128.8 3230.8 3334.4 3439.5 3546.3 3654.8 3765.0 3876.9 3990.7 4106.1 4223.4 4342.3 4463.0 1.02 113.48 217.93 322.56 427.64 533.47 749.20 762.51 2777.1 2891.2 3001.8 3109.0 3215.2 3321.7 3429.0 3537.5 3647.3 3758.5
References 1. Release on the IAPWS Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use, September 1996; available from Executive Secretary of IAPWS, Electric Power Research Institute, 3412 Hillview Ave., Palo Alto, CA 94304-1395. 2. NIST Chemistry WebBook, NIST Standard Reference Database Number 69, Mallard, W. G., and Linstrom, P. J., Eds., March 1998, National Institute of Standards and Technology, Gaithersburg, MD, 20899 (http://webbook.nist.gov). 3. Pruss, A. and Wagner, W., to be published. 4. Fernandez, D. P., Goodwin, A. R. H., Lemmon, E. W., Levelt Sengers, J. M. H., and Williams, R. C., J. Phys. Chem. Ref. Data, 26, 1125, 1997. [Dielectric constant] S/J g–1K–1 0.0000 0.3931 0.7276 1.0380 1.3028 7.3588 7.3713 7.5025 7.7365 7.9447 8.1344 8.3096 8.4730 8.6264 8.7715 8.9093 9.0408 9.1668 9.2879 9.4045 9.5172 9.6263 9.7321 9.8348 0.0000 0.3928 0.7272 1.0374 1.3274 1.6005 2.1086 2.1381 6.5850 6.8250 7.0359 7.2224 7.3925 7.5504 7.6984 7.8384 7.9715 8.0986
Cp/J g–1K–1 4.2194 4.1806 4.1819 4.1945 4.2152 2.0784 2.0686 2.0078 1.9752 1.9813 2.0010 2.0268 2.0557 2.0867 2.1191 2.1525 2.1868 2.2216 2.2568 2.2921 2.3273 2.3621 2.3965 2.4302 4.2150 4.1781 4.1798 4.1925 4.2158 4.2535 4.3924 4.4045 2.7114 2.2795 2.1647 2.1292 2.1254 2.1368 2.1566 2.1816 2.2098 2.2402
Diel. const. 87.90 77.75 69.32 61.79 55.61 1.006 1.006 1.005 1.004 1.003 1.003 1.002 1.002 1.002 1.002 1.001 1.001 1.001 1.001 1.001 1.001 1.001 1.001 1.001 87.93 77.78 69.36 61.82 55.09 49.06 38.81 38.23 1.042 1.034 1.028 1.024 1.020 1.017 1.015 1.013 1.012 1.011
6-11
Section6.indb 11
4/29/05 4:17:03 PM
Properties of Water and Steam as a Function of Temperature and Pressure
6-12 p/MPa 1 1 1 1 1 1 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100
Section6.indb 12
T/K 950 1000 1050 1100 1150 1200 273.16 300 325 350 375 400 450 500 550 584.15 584.15 600 650 700 750 800 850 900 950 1000 1050 1100 1150 1200 273.16 300 325 350 375 400 450 500 550 600 647.10 650 700 750 800 850 900 950 1000 1050 1100 1150 1200
ρ/kg m–3 2.2882 2.1723 2.0678 1.9729 1.8865 1.8074 1004.8 1001.0 991.46 978.09 961.62 942.42 896.16 838.02 761.82 688.42 55.463 49.773 40.479 35.355 31.810 29.107 26.933 25.123 23.580 22.241 21.063 20.017 19.078 18.230 1045.3 1037.2 1026.6 1013.6 998.59 981.82 943.51 899.21 848.78 791.49 730.24 726.21 651.77 568.52 482.23 404.66 343.61 298.61 265.45 240.32 220.62 204.71 191.53
H/J g–1 3871.3 3985.7 4101.8 4219.5 4338.9 4460.0 10.1 121.7 225.6 329.7 434.4 539.6 753.9 977.1 1218 1408 2725 2820 3022 3177 3314 3443 3568 3691 3813 3935 4057 4180 4304 4429 95.4 201.4 301.3 401.7 502.6 603.7 807.8 1015 1228 1448 1665 1679 1925 2188 2466 2742 3000 3231 3440 3631 3809 3979 4142
S/J g–1K–1 8.2206 8.3380 8.4512 8.5608 8.6669 8.7699 0.000 0.390 0.723 1.031 1.320 1.592 2.096 2.566 3.027 3.360 5.616 5.775 6.100 6.330 6.520 6.686 6.838 6.978 7.110 7.235 7.354 7.469 7.579 7.685 –0.008 0.362 0.682 0.979 1.258 1.518 1.999 2.436 2.842 3.225 3.573 3.595 3.958 4.322 4.681 5.016 5.310 5.560 5.774 5.961 6.127 6.278 6.417
Cp/J g–1K–1 2.2721 2.3048 2.3380 2.3713 2.4044 2.4371 4.173 4.153 4.160 4.173 4.195 4.230 4.355 4.602 5.140 6.123 7.140 5.136 3.396 2.874 2.645 2.531 2.473 2.445 2.436 2.439 2.450 2.466 2.485 2.507 3.905 3.979 4.008 4.025 4.040 4.056 4.110 4.196 4.323 4.501 4.733 4.750 5.083 5.449 5.610 5.380 4.887 4.382 3.978 3.683 3.471 3.319 3.209
Diel. const. 1.010 1.009 1.008 1.007 1.007 1.006 88.30 78.11 69.67 62.13 55.40 49.39 39.17 30.79 23.53 18.70 1.404 1.365 1.267 1.214 1.179 1.154 1.134 1.118 1.105 1.095 1.086 1.078 1.072 1.066 91.83 81.22 72.58 64.95 58.19 52.20 42.15 34.15 27.67 22.29 17.97 17.72 13.75 10.34 7.562 5.571 4.284 3.477 2.956 2.601 2.347 2.158 2.011
4/29/05 4:17:04 PM
PERMITTIVITY (DIELECTRIC CONSTANT) OF WATER AT VARIOUS FREQUENCIES The permittivity of liquid water in the radiofrequency and microwave regions can be represented by the Debye equation (References 1 and 2):
Other useful quantities that can be calculated from the values in the table are the loss tangent:
ε s − ε∞ 1 + ω 2 τ2 (ε − ε ∞ )ωτ ε ′′ = s 1 + ω 2 τ2
and the absorption coefficient α which describes the power attentuation per unit length (P = P0 e–αl):
ε ′= ε ∞ +
α=
where ε = ε´ + i ε is the (complex) relative permittivity (i.e., the absolute permittivity divided by the permittivity of free space ε0 = 8.854.10-12 F m-1 ). Here εs is the static permittivity (see Reference 3 and the table “Properties of Water in the Range 0–100°C” in this Section); ε∞ is a parameter describing the permittivity in the high frequency limit; τ is the relaxation time for molecular orientation; and ω = 2πf is the angular frequency. The values in this table have been calculated from parameters given in Reference 2: ε∞ τ/ps
0°C 5.7 17.67
25°C 5.2 8.27
Frequency 0 1 kHz 1 MHz 10 MHz 100 MHz 200 MHz 500 MHz 1 GHz 2 GHz 3 GHz 4 GHz 5 GHz 10 GHz 20 GHz 30 GHz 40 GHz 50 GHz
tan δ = ε ′′/ ε ′
and c is the speed of light. The last equation is valid when ε/ε´ << 1.
50°C 4.0 4.75
ε´ 87.90 87.90 87.90 87.90 87.89 87.86 87.65 86.90 84.04 79.69 74.36 68.54 42.52 19.56 12.50 9.67 8.28
0°C
ε 0.00 0.00 0.01 0.09 0.91 1.82 4.55 9.01 17.39 24.64 30.49 34.88 40.88 30.78 22.64 17.62 14.34
π f ε ′′ c ε′
ε´ 78.36 78.36 78.36 78.36 78.36 78.35 78.31 78.16 77.58 76.62 75.33 73.73 62.81 40.37 26.53 18.95 14.64
References 1. Fernendez, D. P., Mulev, Y., Goodwin, A. R. H., and Levelt Sengers, J. M. H., J. Phys. Chem. Ref. Data, 24, 33, 1995. 2. Kaatze, U., J. Chem. Eng. Data, 34, 371, 1989. 3. Archer, D. G., and Wang, P., J. Phys. Chem. Ref. Data, 12, 817, 1983.
25°C
ε 0.00 0.00 0.00 0.04 0.38 0.76 1.90 3.79 7.52 11.13 14.58 17.81 29.93 36.55 33.25 28.58 24.53
ε´ 69.88 69.88 69.88 69.88 69.88 69.88 69.87 69.82 69.65 69.36 68.95 68.45 64.49 52.57 40.57 31.17 24.42
50°C
ε 0.00 0.00 0.00 0.02 0.20 0.39 0.98 1.96 3.92 5.85 7.75 9.62 18.05 28.99 32.74 32.43 30.47
6-14
Section6.indb 14
4/29/05 4:17:08 PM
THERMOPHYSICAL PROPERTIES OF FLUIDS These tables give thermodynamic and transport properties of some important fluids, as generated from the equations of state presented in the references below. The properties tabulated are density (ρ), energy (E), enthalpy (H), entropy (S), isochoric heat capacity (Cv), isobaric heat capacity (Cp), speed of sound (vs), viscosity (η), thermal conductivity (λ), and dielectric constant (D). All extensive properties are given on a molar basis. Not all properties are included for every substance. The references should be consulted for information on the uncertainties and the reference states for E, H, and S. Values are given as a function of temperature for several isobars. The phase can be determined by noting the sharp decrease in density between two successive temperature entries; all lines above
this point refer to the liquid phase, and all lines below refer to the gas phase. If there is no sharp discontinuity in density, all data in the table refer to the supercritical region (i.e., the isobar is above the critical pressure).
References 1. Younglove, B. A., Thermophysical Properties of Fluids. Part I, J. Phys. Chem. Ref. Data, 11, Suppl. 1, 1982. 2. Younglove, B. A., and Ely, J. F., Thermophysical Properties of Fluids. Part II, J. Phys. Chem. Ref. Data, 16, 577, 1987. 3. McCarty, R. D., Thermodynamic Properties of Helium, J. Phys. Chem. Ref. Data, 2, 923, 1973.
NITROGEN (N2) T K
ρ mol/L
E J/mol
H J/mol
S J/mol K
Cv J/mol K
Cp J/mol K
η µPa s
λ mW/m K
D
P = 0.1 MPa (1 bar) 70 30.017 77.25 28.881 77.25 0.163 100 0.123 200 0.060 300 0.040 400 0.030 500 0.024 600 0.020 700 0.017 800 0.015 900 0.013 1000 0.012 1500 0.008
–3828 –3411 1546 2041 4140 6223 8308 10414 12563 14770 17044 19383 21786 34530
–3824 –3407 2161 2856 5800 8717 11635 14573 17554 20593 23698 26869 30103 47004
73.8 79.5 151.6 159.5 179.9 191.8 200.2 206.7 212.2 216.8 221.0 224.7 228.1 241.8
28.5 27.8 21.6 21.1 20.8 20.8 20.9 21.2 21.8 22.4 23.1 23.7 24.3 26.4
57.2 57.8 31.4 30.0 29.2 29.2 29.2 29.6 30.1 30.7 31.4 32.0 32.6 34.7
203.9 152.2 5.3 6.8 12.9 18.0 22.2 26.1 29.5 32.8 35.8 38.7 41.5 54.0
143.5 133.8 7.6 9.6 18.4 25.8 32.3 38.5 44.5 50.5 56.3 62.0 67.7 93.3
1.45269 1.43386 1.00215 1.00162 1.00079 1.00053 1.00040 1.00032 1.00026 1.00023 1.00020 1.00017 1.00016 1.00010
P = 1 MPa 70 80 90 100 103.75 103.75 200 300 400 500 600 700 800 900 1000 1500
30.070 28.504 26.721 24.634 23.727 1.472 0.614 0.402 0.300 0.240 0.200 0.171 0.150 0.133 0.120 0.080
–3838 –3267 –2685 –2073 –1828 1788 4048 6171 8273 10389 12544 14756 17032 19374 21778 34527
–3805 –3232 –2648 –2032 –1786 2467 5675 8661 11609 14563 17554 20600 23709 26884 30121 47029
73.6 81.3 88.2 94.6 97.1 138.1 160.3 172.5 180.9 187.5 193.0 197.7 201.8 205.6 209.0 222.7
28.9 27.8 26.7 26.2 26.2 24.1 21.0 20.9 20.9 21.3 21.8 22.4 23.1 23.7 24.3 26.4
56.9 57.7 59.4 64.4 67.8 45.0 30.4 29.6 29.5 29.7 30.2 30.8 31.4 32.1 32.7 34.8
205.9 139.5 100.1 73.1 64.8 7.6 13.2 18.1 22.4 26.1 29.6 32.8 35.9 38.8 41.5 54.0
144.1 130.7 115.3 98.5 91.8 12.5 19.3 26.3 32.7 38.8 44.8 50.7 56.5 62.2 67.8 93.4
1.45355 1.42760 1.39824 1.36417 1.34947 1.01954 1.00812 1.00529 1.00395 1.00315 1.00262 1.00224 1.00196 1.00174 1.00157 1.00104
P = 10 MPa 65.32 100 200 300 400
31.120 26.201 7.117 3.989 2.898
–4176 –2328 3037 5667 7941
–3855 –1946 4442 8174 11392
68.6 92.0 136.4 151.7 161.0
31.8 27.4 22.7 21.4 21.3
53.8 56.3 45.5 33.4 31.3
275.7 90.2 17.6 20.1 23.7
153.8 112.3 30.4 31.9 36.7
1.47067 1.38942 1.09698 1.05347 1.03860
6-15
Section6.indb 15
4/29/05 4:17:09 PM
Thermophysical Properties of Fluids
6-16 T K 500 600 700 800 900 1000 1500
E J/mol 10148 12361 14613 16919 19283 21705 34504
H J/mol 14492 17575 20683 23837 27046 30308 47283
S J/mol K 167.9 173.5 178.3 182.5 186.3 189.8 203.5
Cv J/mol K 21.5 21.9 22.5 23.2 23.8 24.4 26.5
Cp J/mol K 30.8 30.9 31.3 31.8 32.4 32.9 34.8
η µPa s 27.1 30.4 33.5 36.4 39.3 42.0 54.3
λ mW/m K 42.0 47.4 53.0 58.6 64.1 69.6 94.7
ρ mol/L
E J/mol
H J/mol
S J/mol K
Cv J/mol K
Cp J/mol K
η µPa s
λ mW/m K
D
P = 0.1 MPa (1 bar) 60 40.049 80 37.204 100 0.123 120 0.102 140 0.087 160 0.076 180 0.067 200 0.060 220 0.055 240 0.050 260 0.046 280 0.043 300 0.040 320 0.038 340 0.035 360 0.033 380 0.032
–5883 –4814 2029 2458 2881 3301 3720 4138 4556 4974 5393 5812 6234 6657 7082 7510 7941
–5880 –4812 2840 3442 4035 4624 5210 5796 6381 6966 7552 8138 8726 9316 9908 10503 11100
72.4 87.7 172.9 178.4 182.9 186.9 190.3 193.4 196.2 198.8 201.1 203.3 205.3 207.2 209.0 210.7 212.3
34.9 31.0 21.4 21.0 20.9 20.9 20.8 20.8 20.8 20.9 20.9 21.0 21.1 21.2 21.3 21.5 21.6
53.4 53.6 30.5 29.8 29.5 29.4 29.3 29.3 29.3 29.3 29.3 29.4 29.4 29.5 29.7 29.8 30.0
425.2 251.7 7.5 9.0 10.5 11.9 13.3 14.6 15.9 17.2 18.4 19.5 20.6 21.7 22.8 23.8 24.8
188.2 166.1 9.3 11.2 13.1 15.0 16.7 18.4 20.1 21.7 23.2 24.8 26.3 27.8 29.3 30.8 32.2
1.55619 1.51114 1.00146 1.00121 1.00103 1.00090 1.00080 1.00072 1.00065 1.00060 1.00055 1.00051 1.00048 1.00045 1.00042 1.00040 1.00038
ρ mol/L 2.302 1.918 1.647 1.445 1.288 1.162 0.783
D 1.03055 1.02538 1.02175 1.01904 1.01694 1.01526 1.01020
OXYGEN (O2) TK
Section6.indb 16
P = 1 MPa 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
40.084 37.254 34.153 1.198 0.950 0.802 0.698 0.620 0.559 0.509 0.468 0.433 0.403 0.377 0.355 0.335 0.317
–5887 –4822 –3741 2163 2683 3151 3598 4035 4466 4894 5321 5748 6174 6602 7032 7463 7898
–5863 –4795 –3712 2997 3735 4398 5030 5647 6255 6858 7458 8056 8654 9252 9851 10452 11056
72.3 87.6 99.7 156.7 162.4 166.8 170.5 173.8 176.7 179.3 181.7 183.9 186.0 187.9 189.7 191.4 193.1
34.9 31.0 28.5 24.0 22.2 21.5 21.2 21.1 21.0 21.0 21.0 21.1 21.1 21.2 21.4 21.5 21.7
53.3 53.5 55.2 40.6 34.4 32.2 31.2 30.6 30.3 30.1 29.9 29.9 29.9 29.9 30.0 30.1 30.2
428.5 253.8 155.6 9.4 10.8 12.2 13.5 14.8 16.1 17.3 18.5 19.6 20.7 21.8 22.8 23.9 24.9
188.4 166.4 137.9 13.9 14.9 16.3 17.7 19.3 20.8 22.3 23.8 25.2 26.7 28.2 29.6 31.1 32.6
1.55674 1.51192 1.46381 1.01429 1.01133 1.00955 1.00831 1.00738 1.00665 1.00606 1.00556 1.00515 1.00479 1.00448 1.00421 1.00397 1.00376
P = 10 MPa 60 80 100 120 140 160 180 200
40.419 37.727 34.881 31.721 27.890 22.379 13.232 8.666
–5931 –4893 –3856 –2796 –1662 –322 1489 2681
–5684 –4628 –3570 –2481 –1304 125 2245 3835
71.5 86.7 98.5 108.4 117.5 127.0 139.5 147.9
35.1 31.6 29.1 27.3 26.2 26.1 26.6 24.0
53.0 52.7 53.4 55.9 62.9 84.8 105.9 60.6
461.8 274.4 171.0 113.0 76.3 48.6 26.2 21.2
189.9 168.6 141.2 115.1 91.8 71.2 46.8 34.0
1.56210 1.51936 1.47500 1.42677 1.36972 1.29037 1.16560 1.10650
4/29/05 4:17:10 PM
Thermophysical Properties of Fluids
220 240 260 280 300 320 340 360 380
TK
ρ mol/L 6.868 5.836 5.134 4.613 4.205 3.874 3.598 3.363 3.161
E J/mol 3424 4029 4573 5086 5581 6063 6538 7009 7477
6-17 H J/mol 4880 5742 6521 7254 7959 8645 9318 9982 10641
S J/mol K 152.9 156.6 159.7 162.5 164.9 167.1 169.1 171.0 172.8
Cv J/mol K 22.6 22.0 21.8 21.6 21.6 21.7 21.8 21.9 22.0
Cp J/mol K 46.4 40.6 37.6 35.8 34.7 33.9 33.4 33.0 32.8
η µPa s 20.5 20.8 21.4 22.1 22.9 23.7 24.6 25.4 26.3
λ mW/m K 30.8 30.1 30.2 30.8 31.6 32.6 33.7 34.9 36.1
D 1.08380 1.07090 1.06219 1.05575 1.05073 1.04667 1.04329 1.04043 1.03796
HYDROGEN (H2) TK
Section6.indb 17
ρ mol/L
E J/mol
H J/mol
S J/mol K
Cv J/mol K
Cp J/mol K
vs m/s
D
P = 0.1 MPa (1 bar) 15 37.738 20 35.278 40 0.305 60 0.201 80 0.151 100 0.120 120 0.100 140 0.086 160 0.075 180 0.067 200 0.060 220 0.055 240 0.050 260 0.046 280 0.043 300 0.040 400 0.030
–605 –524 491 748 1030 1370 1777 2237 2723 3216 3703 4179 4641 5093 5535 5970 8093
–603 –521 818 1244 1694 2202 2776 3401 4054 4714 5367 6009 6638 7256 7865 8466 11421
11.2 15.8 75.6 84.3 90.7 96.4 101.6 106.4 110.8 114.7 118.1 121.2 123.9 126.4 128.6 130.7 139.2
9.7 11.3 12.5 13.1 15.3 18.7 21.8 23.8 24.6 24.6 24.1 23.4 22.8 22.3 21.9 21.6 21.0
14.4 19.1 21.3 21.6 23.7 27.1 30.2 32.2 33.0 32.9 32.4 31.8 31.2 30.6 30.2 29.9 29.3
1319 1111 521 636 714 773 827 883 940 998 1054 1110 1163 1214 1263 1310 1518
1.24827 1.23093 1.00186 1.00122 1.00091 1.00073 1.00061 1.00052 1.00046 1.00041 1.00037 1.00033 1.00030 1.00028 1.00026 1.00024 1.00018
P = 1 MPa 15 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 400
38.109 35.852 3.608 2.098 1.523 1.204 0.999 0.854 0.747 0.663 0.597 0.543 0.498 0.460 0.427 0.399 0.299
–609 –532 399 697 994 1343 1756 2219 2709 3204 3693 4170 4634 5087 5530 5966 8091
–583 –504 676 1173 1651 2174 2758 3390 4048 4712 5368 6012 6643 7263 7873 8475 11433
10.9 15.5 54.1 64.3 71.1 77.0 82.3 87.1 91.5 95.4 98.9 102.0 104.7 107.2 109.5 111.5 120.1
10.1 11.4 12.9 13.2 15.4 18.8 21.9 23.9 24.7 24.6 24.1 23.5 22.9 22.3 21.9 21.6 21.0
14.1 18.4 28.4 23.5 24.7 27.7 30.6 32.5 33.2 33.1 32.5 31.9 31.2 30.7 30.3 30.0 29.4
1315 1155 498 635 719 779 835 891 949 1006 1063 1118 1171 1222 1271 1317 1525
1.25089 1.23496 1.02209 1.01280 1.00928 1.00733 1.00608 1.00520 1.00454 1.00404 1.00363 1.00330 1.00303 1.00279 1.00259 1.00242 1.00182
P = 10 MPa 20 40 60 80 100 120
39.669 31.344 21.273 14.830 11.417 9.357
–568 –209 255 686 1110 1571
–316 110 725 1360 1986 2640
13.0 27.3 39.7 48.8 55.8 61.8
10.9 13.2 13.8 15.9 19.3 22.4
15.0 27.0 32.5 31.1 31.9 33.5
1458 1171 931 886 904 941
1.26198 1.20354 1.13527 1.09303 1.07109 1.05801
4/29/05 4:17:11 PM
Thermophysical Properties of Fluids
6-18 TK 140 160 180 200 220 240 260 280 300 400
ρ mol/L 7.969 6.963 6.195 5.588 5.094 4.683 4.336 4.038 3.780 2.869
E J/mol 2068 2583 3099 3604 4094 4569 5030 5481 5924 8073
H J/mol 3323 4020 4713 5393 6057 6704 7336 7958 8570 11559
S J/mol K 67.0 71.7 75.7 79.3 82.5 85.3 87.8 90.1 92.3 100.9
Cv J/mol K 24.3 25.0 24.9 24.4 23.7 23.1 22.6 22.1 21.8 21.2
Cp J/mol K 34.6 34.9 34.4 33.6 32.8 32.0 31.3 30.8 30.4 29.6
vs m/s 989 1042 1096 1150 1203 1254 1302 1349 1394 1592
D 1.04925 1.04294 1.03814 1.03436 1.03129 1.02874 1.02659 1.02475 1.02315 1.01753
HELIUM (He-4) E J/mol
H J/mol
S J/mol K
Cv J/mol K
Cp J/mol K
P = 0.1 MPa (1 bar) 3 35.794 4 32.477 5 2.935 10 1.238 20 0.602 50 0.240 100 0.120 200 0.060 300 0.040 400 0.030 500 0.024 600 0.020 700 0.017 800 0.015 900 0.013 1000 0.012 1500 0.008
–39 –27 52 120 247 623 1247 2494 3741 4988 6236 7483 8730 9977 11224 12471 18707
–36 –24 86 201 413 1039 2079 4158 6237 8315 10394 12472 14551 16630 18708 20787 31179
9.8 13.3 39.1 55.2 69.9 89.0 103.4 117.8 126.3 132.3 136.9 140.7 143.9 146.7 149.1 151.3 159.7
7.6 9.1 12.7 12.5 12.5 12.5 12.5 12.5 12.5 12.5 12.5 12.5 12.5 12.5 12.5 12.5 12.5
P = 1 MPa 3 4 5 10 20 50 100 200 300 400 500 600 700 800 900 1000 1500
39.703 38.210 35.818 15.378 6.067 2.353 1.186 0.597 0.399 0.300 0.240 0.200 0.172 0.150 0.133 0.120 0.080
–42 –34 –22 78 228 617 1245 2495 3742 4990 6237 7485 8732 9979 11227 12474 18710
–16 –7 6 143 393 1042 2089 4170 6249 8327 10406 12484 14562 16641 18719 20798 31190
8.6 11.2 14.0 32.2 49.8 69.8 84.3 98.7 107.1 113.1 117.8 121.5 124.7 127.5 130.0 132.2 140.6
P = 10 MPa 4 5 10 20 50
51.978 51.118 46.872 37.092 19.192
–24 –18 23 154 572
169 177 236 423 1093
6.7 8.5 16.6 29.5 49.9
TK
Section6.indb 18
ρ mol/L
vs m/s
η µPa s
D
9.4 16.3 27.1 21.7 21.0 20.8 20.8 20.8 20.8 20.8 20.8 20.8 20.8 20.8 20.8 20.8 20.8
222 185 120 185 264 417 589 833 1020 1177 1316 1441 1557 1664 1765 1861 2279
3.85 3.33 1.39 2.26 3.58 6.36 9.78 15.14 19.93 24.29 28.36 32.22 35.89 39.43 42.85 46.16 61.55
1.05646 1.05114 1.00456 1.00192 1.00093 1.00037 1.00019 1.00009 1.00006 1.00005 1.00004 1.00003 1.00003 1.00002 1.00002 1.00002 1.00001
7.1 8.3 9.7 12.3 12.6 12.5 12.5 12.5 12.5 12.5 12.5 12.5 12.5 12.5 12.5 12.5 12.5
7.8 10.9 15.1 30.5 22.9 21.1 20.9 20.8 20.8 20.8 20.8 20.8 20.8 20.8 20.8 20.8 20.8
300 290 269 198 274 428 597 838 1024 1180 1319 1444 1559 1666 1767 1862 2280
5.63 5.01 4.38 3.07 3.94 6.53 9.89 15.21 19.96 24.32 28.38 32.23 35.91 39.44 42.86 46.17 61.55
1.06274 1.06034 1.05650 1.02402 1.00943 1.00365 1.00184 1.00093 1.00062 1.00046 1.00037 1.00031 1.00027 1.00023 1.00021 1.00019 1.00012
6.0 7.9 11.0 12.6 12.9
7.3 9.3 14.5 20.7 22.4
586 576 546 498 541
24.27 18.16 9.31 6.99 8.07
1.08262 1.08122 1.07432 1.05854 1.03003
4/29/05 4:17:12 PM
Thermophysical Properties of Fluids
6-19
ρ mol/L 10.525 5.605 3.829 2.908 2.344 1.963 1.689 1.481 1.320 1.189 0.797
E J/mol 1231 2500 3755 5006 6256 7505 8754 10003 11252 12500 18742
H J/mol 2181 4284 6367 8445 10522 12599 14676 16753 18830 20907 31294
S J/mol K 65.0 79.6 88.0 94.0 98.6 102.4 105.6 108.4 110.9 113.0 121.5
Cv J/mol K 12.8 12.6 12.6 12.6 12.5 12.5 12.5 12.5 12.5 12.5 12.5
Cp J/mol K 21.3 20.9 20.8 20.8 20.8 20.8 20.8 20.8 20.8 20.8 20.8
vs m/s 674 889 1063 1212 1346 1467 1580 1685 1784 1877 2289
η µPa s 10.93 15.82 20.25 24.54 28.56 32.38 36.04 39.56 42.96 46.26 61.62
D 1.01640 1.00871 1.00595 1.00452 1.00364 1.00305 1.00262 1.00230 1.00205 1.00185 1.00124
ρ mol/L
E J/mol
H J/mol
S J/mol K
Cv J/mol K
Cp J/mol K
vs m/s
η µPa s
λ mW/m K
P = 0.1 MPa (1 bar) 85 35.243 90 0.138 100 0.123 120 0.102 140 0.087 160 0.076 180 0.067 200 0.060 220 0.055 240 0.050 260 0.046 280 0.043 300 0.040 320 0.038 340 0.035 360 0.033 380 0.032
–4811 1077 1211 1471 1727 1980 2232 2483 2734 2984 3234 3484 3734 3984 4234 4484 4734
–4808 1802 2024 2456 2881 3302 3722 4141 4559 4976 5394 5811 6227 6644 7060 7477 7893
53.6 129.4 131.8 135.7 139.0 141.8 144.3 146.5 148.5 150.3 152.0 153.5 155.0 156.3 157.6 158.7 159.9
23.1 13.1 12.9 12.6 12.6 12.5 12.5 12.5 12.5 12.5 12.5 12.5 12.5 12.5 12.5 12.5 12.5
44.7 22.5 21.9 21.4 21.1 21.0 21.0 20.9 20.9 20.9 20.9 20.8 20.8 20.8 20.8 20.8 20.8
820 174 184 203 220 235 250 263 276 289 300 312 323 333 344 354 363
278.8 7.5 8.2 9.8 11.4 13.0 14.5 16.0 17.5 18.9 20.3 21.6 22.9 24.2 25.4 26.6 27.8
132.4 6.0 6.6 7.8 9.0 10.2 11.4 12.5 13.7 14.8 15.8 16.9 17.9 18.9 19.9 20.8 21.7
P = 1 MPa 85 90 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
35.307 34.542 32.909 1.181 0.945 0.799 0.697 0.619 0.559 0.509 0.468 0.433 0.403 0.377 0.355 0.335 0.317
–4820 –4598 –4145 1210 1544 1838 2116 2384 2648 2908 3167 3423 3679 3934 4188 4441 4694
–4792 –4569 –4115 2057 2603 3089 3551 3999 4438 4873 5304 5732 6159 6583 7007 7429 7851
53.5 56.1 60.9 114.3 118.5 121.8 124.5 126.9 128.9 130.8 132.6 134.2 135.6 137.0 138.3 139.5 140.6
23.1 21.6 19.9 14.7 13.5 13.0 12.8 12.7 12.6 12.6 12.6 12.6 12.5 12.5 12.5 12.5 12.5
44.6 44.7 46.2 30.1 25.4 23.6 22.7 22.2 21.8 21.6 21.5 21.4 21.3 21.2 21.2 21.1 21.1
823 808 753 189 212 231 247 262 275 288 301 312 324 334 345 355 365
281.3 242.7 185.0 10.3 11.8 13.3 14.8 16.3 17.7 19.1 20.4 21.8 23.1 24.3 25.5 26.7 27.9
133.0 124.2 109.2 9.3 10.1 11.1 12.1 13.2 14.2 15.3 16.3 17.3 18.3 19.2 20.2 21.1 22.0
P = 10 MPa 90 100 120 140
35.208 33.744 30.525 26.609
–4694 –4271 –3396 –2447
–4410 –3974 –3069 –2072
55.0 59.6 67.8 75.5
21.9 20.4 18.8 17.6
43.2 44.0 46.9 54.1
846 800 672 526
265.2 205.0 131.2 85.9
129.5 115.1 92.1 71.7
TK 100 200 300 400 500 600 700 800 900 1000 1500
ARGON (Ar) TK
Section6.indb 19
4/29/05 4:17:13 PM
Thermophysical Properties of Fluids
6-20 ρ mol/L 20.816 12.296 8.442 6.776 5.787 5.105 4.596 4.195 3.869 3.596 3.364 3.164
TK 160 180 200 220 240 260 280 300 320 340 360 380
E J/mol –1279 228 1118 1661 2087 2458 2798 3119 3427 3726 4017 4303
H J/mol –799 1042 2302 3137 3815 4416 4974 5503 6012 6506 6989 7464
S J/mol K 83.9 94.8 101.4 105.4 108.4 110.8 112.9 114.7 116.3 117.8 119.2 120.5
Cv J/mol K 17.4 17.3 15.3 14.2 13.7 13.4 13.2 13.1 13.0 13.0 12.9 12.9
Cp J/mol K 78.6 83.6 48.6 36.8 31.6 28.8 27.1 25.9 25.0 24.4 23.9 23.5
vs m/s 357 257 268 284 300 314 327 339 350 361 372 381
η µPa s 51.3 27.8 23.3 22.8 23.2 23.9 24.8 25.7 26.7 27.7 28.7 29.7
λ mW/m K 52.8 32.0 23.6 21.6 21.3 21.4 21.8 22.3 22.9 23.5 24.2 24.9
METHANE (CH4) TK
ρ mol/L
P = 0.1 MPa (1 bar)
Section6.indb 20
E J/mol
H J/mol
S J/mol K
Cv J/mol K
Cp J/mol K
η µPa s
λ mW/m K
D
100 125 150 175 200 225 250 275 300 325 350 375 400 425 450 500 600
27.370 0.099 0.081 0.069 0.061 0.054 0.048 0.044 0.040 0.037 0.034 0.032 0.030 0.028 0.027 0.024 0.020
–5258 3026 3667 4301 4935 5571 6216 6875 7552 8252 8979 9737 10528 11354 12215 14047 18111
–5254 4039 4896 5743 6587 7434 8288 9156 10042 10951 11887 12853 13852 14886 15956 18204 23101
73.0 156.5 162.7 168.0 172.5 176.5 180.1 183.4 186.4 189.4 192.1 194.8 197.4 199.9 202.3 207.1 216.0
33.4 25.4 25.2 25.2 25.3 25.5 26.0 26.6 27.5 28.5 29.7 30.9 32.3 33.7 35.2 38.0 42.9
54.1 34.6 34.0 33.8 33.8 34.0 34.4 35.0 35.9 36.9 38.0 39.3 40.7 42.1 43.5 46.4 51.3
156.3 5.0 5.9 6.9 7.8 8.7 9.6 10.4 11.2 12.0 12.8 13.5 14.3 15.0 15.7 17.0 19.4
208.1 13.4 16.2 19.1 21.9 24.8 27.8 30.9 34.1 37.6 41.2 45.1 49.1 53.3 57.6 66.5 84.1
1.65504 1.00193 1.00159 1.00136 1.00119 1.00105 1.00095 1.00086 1.00079 1.00073 1.00068 1.00063 1.00059 1.00056 1.00053 1.00047 1.00039
P = 1 MPa 100 125 150 175 200 225 250 275 300 325 350 375 400 425 450 500 600
27.413 25.137 0.969 0.765 0.644 0.560 0.497 0.448 0.408 0.375 0.347 0.323 0.302 0.284 0.268 0.241 0.200
–5268 –3882 3282 4041 4736 5410 6081 6758 7449 8160 8897 9662 10460 11291 12157 13997 18073
–5231 –3842 4315 5348 6289 7197 8093 8991 9901 10829 11781 12760 13770 14814 15892 18153 23070
72.9 85.3 140.9 147.3 152.3 156.6 160.4 163.8 167.0 169.9 172.8 175.5 178.1 180.6 183.1 187.8 196.8
33.4 32.4 27.9 26.4 25.9 25.9 26.2 26.8 27.6 28.6 29.7 31.0 32.4 33.8 35.2 38.1 43.0
54.0 57.4 45.2 38.9 36.8 36.0 35.8 36.1 36.7 37.6 38.6 39.8 41.1 42.4 43.8 46.6 51.4
158.1 89.2 6.2 7.1 8.0 8.9 9.7 10.6 11.4 12.1 12.9 13.6 14.4 15.1 15.7 17.0 19.5
208.9 168.2 18.4 20.6 23.1 25.8 28.7 31.7 34.9 38.3 41.9 45.7 49.6 53.8 58.1 66.9 84.5
1.65617 1.59261 1.01911 1.01507 1.01268 1.01102 1.00979 1.00882 1.00803 1.00738 1.00683 1.00636 1.00595 1.00559 1.00527 1.00474 1.00394
P = 10 MPa 100 27.815 125 25.754 150 23.441
–5362 –4036 –2655
–5003 –3648 –2229
72.0 84.1 94.4
33.8 32.7 31.4
53.2 55.3 58.6
175.4 100.4 65.7
217 178.8 144.6
1.66668 1.60895 1.54553
4/29/05 4:17:14 PM
Thermophysical Properties of Fluids TK 175 200 225 250 275 300 325 350 375 400 425 450 500 600
ρ mol/L 20.613 16.602 10.547 7.013 5.530 4.685 4.115 3.695 3.366 3.101 2.880 2.692 2.389 1.963
E J/mol –1175 542 2680 4289 5387 6320 7192 8047 8903 9774 10666 11584 13507 17700
6-21 H J/mol –689 1144 3628 5714 7195 8454 9622 10753 11874 12999 14138 15298 17692 22795
S J/mol K 103.9 113.6 125.3 134.1 139.8 144.2 147.9 151.3 154.4 157.3 160.0 162.7 167.7 177.0
Cv J/mol K 30.3 30.1 30.8 29.3 28.7 28.9 29.6 30.5 31.7 32.9 34.3 35.7 38.5 43.3
Cp J/mol K 65.5 84.7 102.2 67.4 53.4 48.0 45.8 44.9 44.8 45.2 46.0 46.9 48.9 52.9
η µPa s 44.9 29.4 17.6 14.3 13.8 13.9 14.3 14.7 15.2 15.8 16.3 16.9 18.0 20.2
λ mW/m K 113.4 85.8 61.0 47.6 44.1 44.6 46.6 49.2 52.3 55.7 59.4 63.3 71.6 88.3
Cp J/mol K
vs m/s
D 1.47021 1.36789 1.22352 1.14481 1.11297 1.09513 1.08322 1.07450 1.06773 1.06227 1.05775 1.05392 1.04775 1.03911
ETHANE (C2H6) E J/mol
H J/mol
S J/mol K
P = 0.1 MPa (1 bar) 95 21.50 100 21.32 125 20.41 150 19.47 175 18.49 200 0.062 225 0.054 250 0.049 275 0.044 300 0.040 325 0.037 350 0.035 375 0.032 400 0.030 450 0.027 500 0.024 600 0.020
–14555 –14210 –12468 –10717 –8938 5503 6401 7349 8360 9439 10592 11823 13133 14525 17548 20883 28429
–14550 –14205 –12463 –10712 -8933 7123 8238 9401 10624 11914 13278 14719 16240 17841 21282 25035 33415
80.2 83.8 99.3 112.1 123.1 210.1 215.4 220.3 224.9 229.4 233.8 238.1 242.3 246.4 254.5 262.4 277.6
47.2 47.1 45.0 43.4 42.7 34.5 36.5 38.9 41.6 44.5 47.6 50.7 54.0 57.2 63.6 69.7 80.9
68.7 69.3 69.8 70.4 72.1 43.8 45.5 47.7 50.2 53.1 56.1 59.2 62.4 65.6 72.0 78.1 89.3
1970 1943 1775 1587 1396 258 273 287 300 312 324 335 345 355 375 393 428
1.93480 1.92500 1.87634 1.82726 1.77671 1.00208 1.00183 1.00164 1.00148 1.00136 1.00125 1.00116 1.00108 1.00101 1.00090 1.00081 1.00067
P = 1 MPa 95 100 125 150 175 200 225 250 275 300 325 350 375 400 450 500 600
21.514 21.334 20.427 19.494 18.515 17.464 16.288 0.564 0.489 0.435 0.393 0.360 0.333 0.310 0.272 0.244 0.201
–14562 –14217 –12478 –10731 –8957 –7127 –5199 6762 7902 9063 10273 11546 12889 14306 17367 20730 28313
–14515 –14170 –12429 –10679 –8903 –7070 –5137 8534 9949 11363 12815 14321 15893 17534 21038 24836 33278
80.2 83.7 99.2 112.0 123.0 132.7 141.8 198.7 204.1 209.0 213.7 218.1 222.5 226.7 234.9 242.9 258.3
47.3 47.2 45.0 43.4 42.7 42.9 43.8 41.6 43.2 45.5 48.3 51.3 54.4 57.5 63.8 69.9 81.0
68.7 69.3 69.8 70.3 72.0 74.9 80.2 57.5 56.2 57.2 59.1 61.5 64.2 67.1 73.0 78.9 89.8
1972 1946 1778 1592 1402 1209 1008 260 280 297 311 325 337 349 370 390 427
1.93537 1.92560 1.87709 1.82823 1.77800 1.72513 1.66733 1.01909 1.01650 1.01467 1.01327 1.01214 1.01121 1.01043 1.00917 1.00819 1.00677
P = 10 MPa 95
21.624
–14626
–14163
79.5
47.4
68.5
2000
1.94104
TK
Section6.indb 21
ρ mol/L
Cv J/mol K
D
4/29/05 4:17:15 PM
Thermophysical Properties of Fluids
6-22 TK 100 125 150 175 200 225 250 275 300 325 350 375 400 450 500 600
ρ mol/L 21.448 20.570 19.678 18.758 17.793 16.760 15.620 14.301 12.666 10.398 7.292 5.182 4.182 3.204 2.677 2.076
E J/mol –14286 –12572 –10858 –9130 –7363 –5535 –3609 –1539 757 3443 6643 9419 11577 15379 19135 27160
H J/mol –13819 –12086 –10350 –8596 –6801 –4938 –2969 –839 1547 4404 8015 11349 13968 18500 22870 31978
PROPANE (C3H8)
Section6.indb 22
Cv J/mol K 47.4 45.5 43.9 43.3 43.5 44.3 45.8 47.9 50.8 54.7 58.8 60.0 61.4 65.8 71.2 81.8
Cp J/mol K 69.1 69.3 69.6 70.8 73.0 76.4 81.5 89.4 102.7 129.1 150.1 115.7 96.9 87.5 88.0 94.7
vs m/s 1974 1814 1637 1459 1284 1110 935 758 577 399 290 289 310 347 378 427
D 1.93146 1.88436 1.83753 1.79010 1.74134 1.69017 1.63488 1.57249 1.49740 1.39745 1.26832 1.18570 1.14797 1.11193 1.09288 1.07142
\
E J/mol
H J/mol
P = 0.1 MPa (1 bar) 90 16.526 100 16.295 125 15.726 150 15.156 175 14.577 200 13.982 225 13.339 250 0.050 275 0.045 300 0.041 325 0.037 350 0.035 375 0.032 400 0.030 450 0.027 500 0.024 600 0.020
–21486 –20639 –18495 –16319 –14096 –11806 –9395 9194 10691 12297 14019 15862 17827 19912 24441 29428 40677
P = 1 MPa 90 100 125 150 175 200 225 250 275 300 325 350 375 400 450 500 600
–21486 –20639 –18495 –16319 –14096 –11806 –9424 –6919 –4252 –1360 13278 15259 17318 19472 24092 29137 40455
TK
S J/mol K 83.0 98.5 111.1 121.9 131.5 140.3 148.6 156.7 165.0 174.1 184.8 194.1 200.8 211.5 220.7 237.3
ρ mol/L
16.526 16.295 15.726 15.156 14.577 13.982 13.361 12.696 11.962 11.102 0.428 0.383 0.349 0.322 0.279 0.248 0.203
S J/mol K
Cv J/mol K
Cp J/mol K
vs m/s
–21426 –20577 –18432 –16253 –14028 –11735 –9387 11213 12930 14752 16689 18744 20921 23217 28166 33573 45658
87.3 96.2 115.4 131.3 145.0 157.3 168.5 257.6 264.1 270.5 276.7 282.8 288.8 294.7 306.4 317.7 339.7
59.2 59.6 59.2 58.9 59.5 61.0 63.4 57.2 61.6 66.2 71.1 76.0 80.9 85.7 95.2 104.1 120.4
84.5 85.2 86.5 88.0 90.3 93.5 97.9 66.8 70.7 75.1 79.8 84.6 89.5 94.3 103.6 112.6 128.8
2126 2041 1856 1685 1521 1359 1197 228 239 249 259 269 278 286 303 318 347
2.07988 2.05806 2.00674 1.95796 1.91036 1.86300 1.81487 1.00238 1.00215 1.00195 1.00179 1.00166 1.00154 1.00144 1.00128 1.00115 1.00095
–21426 –20577 –18432 –16253 –14028 –11735 –9349 –6840 –4169 –1270 15614 17869 20183 22582 27672 33172 45374
87.2 96.2 115.3 131.2 144.9 157.2 168.4 179.0 189.1 199.2 255.2 261.9 268.3 274.4 286.4 298.0 320.2
59.3 59.7 59.2 59.0 59.6 61.1 63.4 66.4 70.0 74.1 74.1 78.0 82.2 86.7 95.7 104.4 120.5
84.5 85.2 86.4 88.0 90.2 93.4 97.7 103.3 110.8 121.9 89.6 91.2 94.2 97.8 105.9 114.1 129.7
2128 2043 1859 1690 1526 1365 1205 1045 881 708 233 248 261 272 293 312 344
2.08034 2.05856 2.00736 1.95873 1.91132 1.86421 1.81642 1.76672 1.71316 1.65216 1.02067 1.01846 1.01678 1.01544 1.01337 1.01184 1.00968
D
4/29/05 4:17:16 PM
Thermophysical Properties of Fluids
Section6.indb 23
6-23
TK
ρ mol/L
E J/mol
H J/mol
P = 10 MPa 90 100 125 150 175 200 225 250 275 300 325 350 375 400 450 500 600
16.590 16.364 15.810 15.259 14.705 14.141 13.562 12.960 12.322 11.631 10.860 9.973 8.905 7.561 4.614 3.241 2.242
–21553 –20714 –18595 –16448 –14261 –12016 –9692 –7268 –4721 –2027 843 3924 7270 10957 18845 25567 38131
–20951 –20103 –17962 –15793 –13581 –11309 –8955 –6496 –3909 –1167 1764 4927 8393 12279 21013 28652 42591
S J/mol K
Cv J/mol K
Cp J/mol K
86.5 95.4 114.5 130.3 144.0 156.1 167.2 177.5 187.4 196.9 206.3 215.7 225.2 235.3 255.8 272.0 297.4
59.9 60.1 59.6 59.3 59.9 61.4 63.7 66.7 70.2 74.1 78.4 82.9 87.7 93.0 101.8 107.8 121.7
84.4 85.1 86.1 87.5 89.5 92.4 96.1 100.7 106.4 113.2 121.5 132.0 146.1 165.7 167.8 142.7 140.5
vs m/s 2146 2068 1895 1733 1577 1425 1277 1133 991 851 715 582 455 339 249 276 332
D 2.08489 2.06350 2.01342 1.96617 1.92048 1.87557 1.83076 1.78529 1.73826 1.68849 1.63437 1.57361 1.50271 1.41671 1.24060 1.16439 1.11122
4/29/05 4:17:17 PM
Virial Coefficients of Selected Gases Henry V. Kehiaian This table gives second virial coefficients of about 110 inorganic and organic gases as a function of temperature. Selected data from the literature have been fitted by least squares to the equation n
B / cm 3 mol −1 = ∑ a(i)[(To / T ) − 1]i −1
i =1
where To = 298.15 K. The table gives the coefficients a(i) and values of B at fixed temperature increments, as calculated from this smoothing equation.
Compounds Not Containing Carbon Mol. form. Ar
Name Argon
a(1) = –16 a(2) = –60 a(3) = –9.7 a(4) = –1.5
BF3
Boron trifluoride
ClH
a(1) = –106 a(2) = –330 a(3) = –251 a(4) = –80 Hydrogen chloride
a(1) = –144 a(2) = –325 a(3) = –277 a(4) = –170 Cl2
Chlorine
a(1) = –303 a(2) = –555 a(3) = 9 a(4) = 329 a(5) = 68
T/K 100 120 140 160 180 200 300 400 500 600 700 800 900 1000 200 240 280 320 360 400 440 190 230 270 310 350 390 430 470 210 220 230 240 250 260 270 280 290 300 350 400 450
B/cm3 mol–1 –184 –131 –98 –76 –60 –48 –16 –1 7 12 15 18 20 22 –338 –202 –129 –85 –56 –37 –23 –451 –269 –181 –132 –102 –81 –66 –54 –508 –483 –457 –432 –407 –383 –360 –339 –318 –299 –221 –166 –126
The equation may be used with the tabulated coefficients for interpolation within the indicated temperature range. It should not be used for extrapolation beyond this range. Compounds are listed in the modified Hill order (see Introduction), with carbon-containing compounds following those compounds not containing carbon. A useful compilation of virial coefficient data from the literature may be found in: J. H. Dymond and E. B. Smith, The Virial Coefficients of Pure Gases and Mixtures, A Critical Compilation, Oxford University Press, Oxford, 1980. Mol. form.
Name
F2
Fluorine
F4Si
a(1) = 8.5 a(2) = –163.2 a(3) = 84.0 a(4) = –27.9 Silicon tetrafluoride
a(1) = –138 a(2) = –312
F5I
Iodine pentafluoride
a(1) = –3077 a(2) = –8474 a(3) = –9116
F5P
Phosphorus pentafluoride
a(1) = –186 a(2) = –345
F6Mo
Molybdenum hexafluoride
T/K 500 600 700 800 900 80 110 140 170 200 230 260 210 240 270 300 330 360 390 420 450 320 330 340 350 360 370 380 390 400 410
B/cm3 mol–1 –97 –59 –36 –22 –12 –378 –165 –109 –79 –55 –33 –14 –268 –213 –170 –136 –108 –84 –64 –47 –32 –2540 –2344 –2172 –2021 –1890 –1775 –1674 –1587 –1510 –1443
320 340 360 380 400 420 440 460
–162 –143 –127 –112 –98 –86 –75 –64
300 310 320
–896 –810 –737
6-27
Virial Coefficients of Selected Gases
6-28 Mol. form.
Name a(1) = –914 a(2) = –2922 a(3) = –4778
F6S
Sulfur hexafluoride
F6U
a(1) = –279 a(2) = –647 a(3) = –335 a(4) = –72 Uranium hexafluoride
a(1) = –1204 a(2) = –2690 a(3) = –2144 F6W
Tungsten hexafluoride
a(1) = –719 a(2) = –1143
H2
Hydrogen
a(1) = 15.4 a(2) = –9.0 a(3) = –0.21
H2O
Water
a(1) = –1158 a(2) = –5157 a(3) = –10301 a(4) =–10597 a(5) = –4415
T/K 330 340 350 360 370 380 390 200 250 300 350 400 450 500 320 340 360 380 400 420 440 320 340 360 380 400 420 440 460 15 20 25 30 35 40 45 50 60 70 80 90 100 200 300 400 300 320 340 360 380 400 420 440 460 480 500 600 700 800 900 1000
B/cm3 mol–1 –677 –627 –586 –553 –527 –506 –491 –685 –416 –275 –190 –135 –96 –68 –1030 –905 –805 –724 –658 –604 –560 –641 –578 –523 –473 –428 –387 –350 –317 –230 –151 –108 –82 –64 –52 –42 –35 –24 –16 –11 –7 –3 11 15 18 –1126 –850 –660 –526 –428 –356 –301 –258 –224 –197 –175 –104 –67 –44 –30 –20
Mol. form.
Name
H3N
Ammonia
a(1) = –271 a(2) = –1022 a(3) = –2715 a(4) = –4189
H3P
Phosphine
a(1) = –146 a(2) = –733 a(3) = 1022 a(4) = –1220
He
Helium
a(1) = 12.44 a(2) = –1.25
Kr
Krypton
a(1) = –51 a(2) = –118 a(3) = –29 a(4) = –5
NO
Nitric oxide
a(1) = –12
T/K 1100 1200 290 300 310 320 330 340 350 360 370 380 400 420 190 200 210 220 230 240 250 260 270 280 290 2 6 10 14 18 22 26 30 50 70 90 110 150 250 650 700 110 120 130 140 150 160 170 180 190 200 250 300 400 500 600 700 120 130 140 150
B/cm3 mol–1 –14 –11 –302 –265 –236 –213 –194 –179 –166 –154 –144 –135 –118 –101 –457 –404 –364 –332 –305 –281 –258 –235 –213 –190 –166 –172 –48 –24 –13 –7 –3 –1 1 6 8 10 10 11 12 13 13 –363 –307 –263 –229 –201 –178 –159 –143 –129 –117 –75 –51 –23 –8 2 8 –232 –176 –138 –113
Virial Coefficients of Selected Gases Mol. form.
N2
Name a(2) = –119 a(3) = 89 a(4) = –73
Nitrogen
a(1) = –4.3 a(2) = –55.7 a(3) = –11.8
N2O
Nitrous oxide
a(1) = –130 a(2) = –307 a(3) = –248
Ne
Neon
a(1) = 10.8 a(2) = –7.5 a(3) = –0.4
O2
Oxygen
a(1) = –16 a(2) = –62 a(3) = –8 a(4) = –3
O2S
Sulfur dioxide
T/K 160 170 180 190 200 210 230 250 270 75 100 125 150 175 200 225 250 300 400 500 600 700 240 260 280 300 320 340 360 380 400 60 80 100 120 140 160 180 200 300 400 500 600 90 110 130 150 170 190 210 230 250 270 290 310 330 350 400 290 320 350
6-29 B/cm3 mol–1 –96 –83 –73 –65 –58 –52 –42 –32 –24 –274 –161 –104 –71 –49 –34 –24 –15 –4 9 16 21 24 –219 –181 –151 –128 –110 –96 –85 –76 –68 –25 –13 –6 –1 2 4 6 7 11 13 14 15 –241 –161 –117 –88 –69 –55 –44 –36 –29 –23 –18 –14 –10 –7 –1 –465 –354 –276
Mol. form.
Name a(1) = –430 a(2) = –1193 a(3) = –1029
Xe
Xenon
a(1) = –130 a(2) = –262 a(3) = –87
T/K 380 410 440 470 160 170 180 190 200 210 220 230 240 250 300 350 400 500 600 650
B/cm3 mol–1 –221 –181 –153 –132 –421 –377 –340 –307 –280 –255 –234 –215 –199 –184 –129 –93 –69 –39 –21 –14
Compounds Containing Carbon Mol. form. CClF3
Name Chlorotrifluoromethane
CCl2F2
a(1) = –223 a(2) = –504 a(3) = –340 a(4) = –291 Dichlorodifluoromethane
a(1) = –486 a(2) = –1217 a(3) = –1188 a(4) = –698 CCl3F
Trichlorofluoromethane
a(1) = –786 a(2) = –1428 a(3) = –142 CCl4
Tetrachloromethane
CF4
a(1) = –1600 a(2) = –4059 a(3) = –4653 Tetrafluoromethane
a(1) = –88 a(2) = –238 a(3) = –70
T/K 240 290 340 390 440 490 540 250 280 310 340 370 400 430 460 240 280 320 360 400 440 480 320 340 360 380 400 420 250 300 350 400 450 500 600 700
B/cm3 mol–1 –369 –237 –165 –119 –86 –60 –39 –769 –570 –441 –353 –289 –241 –204 –174 –1140 –879 –689 –545 –431 –340 –265 –1345 –1171 –1040 –942 –868 –814 –137 –87 –55 –32 –16 –4 14 25
Virial Coefficients of Selected Gases
6-30 Mol. form.
Name
CHClF2
Chlorodifluoromethane
CHCl2F
a(1) = –347 a(2) = –575 a(3) = 187 Dichlorofluoromethane
a(1) = –562 a(2) = –862
CHCl3
Trichloromethane
a(1) = –1193 a(2) = –2936 a(3) = –1751
CHF3
Trifluoromethane
a(1) = –177 a(2) = –399 a(3) = –250
CH2Cl2
Dichloromethane
a(1) = –913 a(2) = –3371 a(3) = –5013
CH2F2
Difluoromethane
a(1) = –321 a(2) = –754 a(3) = –1300
CH3Br
Bromomethane
a(1) = –559 a(2) = –1324
T/K 800 300 325 350 375 400 425 250 275 300 325 350 375 400 425 450 320 330 340 350 360 370 380 390 400 200 220 240 260 280 300 320 340 360 380 400 320 330 340 350 360 370 380 400 420 280 290 300 310 320 330 340 350 280 290 300 310 320 340 360 380
B/cm3 mol–1 33 –343 –298 –257 –221 –188 –158 –728 –634 –557 –491 –434 –385 –343 –305 –271 –1001 –926 –858 –797 –740 –689 –642 –599 –559 –433 –350 –288 –241 –204 –174 –151 –132 –116 –103 –91 –706 –634 –574 –524 –482 –447 –420 –380 –357 –375 –343 –316 –294 –275 –260 –248 –238 –645 –596 –551 –509 –469 –396 –332 –274
Mol. form. CH3Cl
Name Chloromethane
a(1) = –407 a(2) = –887 a(3) = –385
CH3F
Fluoromethane
a(1) = –209 a(2) = –525 a(3) = –365
CH3I
Iodomethane
a(1) = –844 a(2) = –3353 a(3) = –6590
CH4
Methane
a(1) = –43 a(2) = –114 a(3) = –19 a(4) = –7
CH4O
Methanol
a(1) = –1752 a(2) = –4694
CH5N
Methylamine
a(1) = –459 a(2) = –1191 a(3) = –995
T/K 280 300 320 340 360 380 400 420 440 460 480 500 600 280 300 320 340 360 380 400 420 310 320 330 340 350 360 370 380 110 120 130 140 150 160 170 180 190 200 250 300 350 400 500 600 320 330 340 350 360 370 380 390 400 300 325 350 375 400 425 450
B/cm3 mol–1 –466 –402 –348 –304 –266 –234 –206 –182 –161 –142 –126 –112 –58 –244 –205 –174 –150 –129 –112 –99 –87 –725 –646 –582 –531 –492 –462 –441 –427 –328 –276 –237 –206 –181 –160 –143 –128 –116 –105 –66 –43 –27 –16 0 10 –1431 –1299 –1174 –1056 –945 –840 –741 –646 –557 –451 –367 –304 –257 –220 –192 –170
Virial Coefficients of Selected Gases Mol. form.
Name
CO
Carbon monoxide
a(1) = –9 a(2) = –58 a(3) = –18
CO2
Carbon dioxide
a(1) = –127 a(2) = –288 a(3) = –118
CS2
C2Cl2F4
Carbon disulfide
a(1) = –807 a(2) = –1829 a(3) = –1371 1,2-Dichloro-1,1,2,2tetrafluoroethane
a(1) = –812 a(2) = –1773 a(3) = –963
C2Cl3F3
1,1,2-Trichloro-1,2,2trifluoroethane
a(1) = –999 a(2) = –1479
C2H2
Ethyne
a(1) = –216 a(2) = –375 a(3) = –716
6-31
T/K 500 550 210 240 270 300 330 360 420 480 220 240 260 280 300 320 340 360 380 400 500 600 700 800 900 1000 1100 280 310 340 370 400 430 300
B/cm3 mol–1 –140 –122 –36 –24 –15 –8 –3 1 7 11 –244 –204 –172 –146 –126 –108 –94 –81 –71 –62 –30 –13 –1 7 12 16 19 –932 –740 –603 –504 –431 –375 –801
320 340 360 380 400 420 440 460 480 500 290
–695 –608 –536 –475 –423 –379 –341 –307 –279 –253 –1041
310 330 350 370 390 410 430 450 200 210 220 230 240 250 260
–943 –856 –780 –712 –651 –596 –546 –500 –573 –500 –440 –390 –349 –315 –287
Mol. form.
Name
C2H3N
Ethanenitrile
a(1) = –5840 a(2) = –29175 a(3) = –47611
C2H4
Ethene
a(1) = –140 a(2) = –296 a(3) = –101
C2H4Cl2
1,2-Dichloroethane
a(1) = –1362 a(2) = –3240 a(3) = –2100
C2H4O
Ethanal
a(1) = –1217 a(2) = –4647 a(3) = –5725 C2H4O2
Methyl methanoate
a(1) = –1035 a(2) = –3425 a(3) = –4203
C2H5Cl
Chloroethane
a(1) = –777 a(2) = –2205 a(3) = –1764
C2H6
Ethane
a(1) = –184 a(2) = –376 a(3) = –143 a(4) = –54
T/K 270 330 340 350 360 370 380 390 400 410 240 270 300 330 360 390 420 450 370 390 410 430 450 470 490 510 530 550 570 290 320 350 380 410 440 470 320 330 340 350 360 370 380 390 400 320 360 400 440 480 520 560 600 200 220 240 260 280 300 320 340
B/cm3 mol–1 –263 –3468 –2971 –2563 –2233 –1970 –1765 –1610 –1499 –1425 –218 –172 –139 –113 –92 –76 –63 –52 –812 –716 –635 –566 –508 –458 –416 –379 –347 –319 –295 –1352 –927 –654 –482 –375 –314 –283 –821 –744 –677 –620 –571 –528 –492 –461 –435 –634 –450 –330 –249 –195 –157 –131 –114 –409 –337 –284 –242 –209 –181 –159 –140
Virial Coefficients of Selected Gases
6-32 Mol. form.
Name
C2H6O
Ethanol
a(1) = –4475 a(2) = –29719 a(3) = –56716
C2H6O
Dimethyl ether
a(1) = –455 a(2) = –965
C2H7N
Dimethylamine
a(1) = –662 a(2) = –1504 a(3) = –667
C2H7N
Ethylamine
a(1) = –785 a(2) = –2012 a(3) = –1397
C3H6
Cyclopropane
a(1) = –388 a(2) = –861 a(3) = –538
C3H6
Propene
a(1) = –347 a(2) = –727 a(3) = –325
T/K 360 380 400 500 600 320 330 340 350 360 370 380 390 275 280 285 290 295 300 305 310 310 320 330 340 350 360 370 380 390 400 300 310 320 330 340 350 360 370 380 390 400 300 310 320 330 340 350 360 370 380 390 400 280 300 320 340 360 380 400 420
B/cm3 mol–1 –123 –109 –96 –52 –24 –2710 –2135 –1676 –1317 –1043 –843 –705 –622 –536 –517 –499 –482 –465 –449 –433 –418 –606 –563 –523 –487 –454 –423 –395 –369 –345 –322 –773 –710 –654 –604 –558 –517 –480 –447 –416 –389 –363 –383 –356 –332 –310 –290 –272 –256 –241 –227 –215 –204 –395 –342 –299 –262 –232 –205 –183 –163
Mol. form.
Name
C3H6O
2-Propanone
a(1) = –2051 a(2) = –8903 a(3) = –18056 a(4) = –16448
C3H6O
Ethyl methanoate
a(1) = –1371 a(2) = –4231 a(3) = –4312 C3H6O
Methyl ethanoate
a(1) = –1709 a(2) = –6348 a(3) = –9650
C3H7Cl
1-Chloropropane
a(1) = –1121 a(2) = –3271 a(3) = –3786 a(4) = –1974
C3H8
Propane
a(1) = –386 a(2) = –844 a(3) = –720 a(4) = –574
C3H8O
1-Propanol
a(1) = –2690 a(2) = –12040 a(3) = –16738
T/K 440 460 480 500 300 320 340 360 380 400 420 440 460 480 330 340 350 360 370 380 390 320 330 340 350 360 370 380 390 310 340 370 400 430 460 490 520 550 580 240 260 280 300 320 340 360 380 400 440 480 520 560 380 385 390 395 400 405 410 415 420
B/cm3 mol–1 –146 –131 –118 –106 –1996 –1522 –1198 –971 –806 –683 –586 –506 –437 –375 –1003 –916 –839 –771 –712 –660 –614 –1320 –1186 –1074 –980 –903 –840 –789 –749 –1001 –772 –614 –501 –417 –352 –302 –261 –227 –198 –641 –527 –444 –381 –331 –292 –259 –232 –208 –169 –138 –112 –90 –873 –826 –783 –744 –709 –679 –651 –627 –606
Virial Coefficients of Selected Gases Mol. form. C3H8O
Name 2-Propanol
a(1) = –3165 a(2) = –16092 a(3) = –24197
C3H9N
Trimethylamine
a(1) = –737 a(2) = –1669 a(3) = –986 C4H8
1-Butene
a(1) = –633 a(2) = –1442 a(3) = –932 C4H8O
2-Butanone
a(1) = –2282 a(2) = –5907
C4H8O2
Propyl methanoate
a(1) = –2118 a(2) = –7299 a(3) = –8851
C4H8O2
Ethyl ethanoate
a(1) = –2272 a(2) = –8818 a(3) = –13130
C4H8O2
Methyl propanoate
a(1) = –2216 a(2) = –7339 a(3) = –8658
C4H9Cl
1-Chlorobutane
a(1) = –1643 a(2) = –4897 a(3) = –6178 a(4) = –3718
T/K 380 385 390 395 400 405 410 415 420 310 320 330 340 350 360 370 300 320 340 360 380 400 420 310 320 330 340 350 360 370 330 340 350 360 370 380 390 400 330 340 350 360 370 380 390 400 330 340 350 360 370 380 390 400 330 370 410 450 490 530 570
6-33 B/cm3 mol–1 –821 –766 –717 –674 –636 –604 –576 –552 –533 –675 –628 –585 –547 –512 –480 –450 –624 –539 –470 –413 –366 –327 –294 –2056 –1878 –1712 –1555 –1407 –1267 –1135 –1496 –1354 –1231 –1126 –1035 –957 –890 –834 –1543 –1385 –1254 –1144 –1055 –982 –923 –878 –1588 –1444 –1319 –1211 –1117 –1037 –968 –908 –1224 –898 –691 –551 –449 –371 –309
Mol. form.
Name
T/K
C4H10
Butane
250 280 310 340 370 400 430 460 490 520 550 270 300 330 360 390 420 450 480 510 350 360 370 380 390 400 420 440 390 400 410 420 430 440 380 390 400 410 420 380 390 400 410 420 280 300 320 340 360 380 400 420 320 330 340 350 360 370 380 390
a(1) = –735 a(2) = –1835 a(3) = –1922 a(4) = –1330
C4H10
2-Methylpropane
a(1) = –707 a(2) = –1719 a(3) = –1282
C4H10O
1-Butanol
a(1) = –2629 a(2) = –6315
C4H10O
2-Methyl-1-propanol
a(1) = –2269 a(2) = –5065 C4H10O
2-Butanol
C4H10O
a(1) = –2232 a(2) = –5209 2-Methyl-2-propanol
C4H10O
a(1) = –1952 a(2) = –4775 Diethyl ether
a(1) = –1226 a(2) = –4458 a(3) = –7746 a(4) = –10005 C4H11N
Diethylamine
a(1) = –1522 a(2) = –5204 a(3) = –15047 a(4) = –28835
B/cm3 mol–1 –1170 –863 –668 –536 –442 –371 –315 –270 –232 –199 –171 –900 –697 –553 –450 –374 –317 –273 –240 –215 –1693 –1544 –1402 –1268 –1141 –1021 –796 –593 –1076 –979 –887 –800 –716 –636 –1110 –1005 –906 –811 –721 –924 –827 –736 –649 –567 –1550 –1199 –954 –776 –638 –525 –428 –340 –1228 –1134 –1056 –988 –926 –868 –812 –755
Virial Coefficients of Selected Gases
6-34 Mol. form.
Name
C5H5N
Pyridine
a(1) = –1765 a(2) = –3431
C5H10
Cyclopentane
C5H10
a(1) = –1062 a(2) = –2116 1-Pentene
a(1) = –1055 a(2) = –2377 a(3) = –1189
C5H10O
2-Pentanone
a(1) = –4962 a(2) = –26372 a(3) = –46537 C5H12
Pentane
a(1) = –1254 a(2) = –3345 a(3) = –2726
C5H12
2-Methylbutane
a(1) = –1095 a(2) = –2503 a(3) = –1534
C5H12
2,2-Dimethylpropane
a(1) = –931 a(2) = –2387 a(3) = –2641 a(4) = –1810
T/K 400 350 360 370 380 390 400 420 440 300 305 310 315 320 310 320 330 340 350 360 370 380 390 400 410 330 340 350 360 370 380 390 300 310 320 330 340 350 400 450 500 550 280 290 300 310 320 330 340 350 400 450 300 310 320 330 340 350 360 370 380
B/cm3 mol–1 –697 –1257 –1176 –1099 –1026 –957 –892 –770 –659 –1049 –1015 –981 –949 –918 –966 –898 –836 –780 –729 –681 –638 –598 –561 –527 –495 –2850 –2420 –2076 –1804 –1595 –1440 –1332 –1234 –1130 –1038 –957 –884 –818 –579 –436 –348 –294 –1263 –1166 –1079 –1001 –931 –867 –810 –757 –557 –424 –916 –843 –780 –724 –674 –629 –590 –554 –521
Mol. form.
Name
C6H6
Benzene
a(1) = –1477 a(2) = –3851 a(3) = –3683 a(4) = –1423
C6H7N
2-Methylpyridine
a(1) = –2940 a(2) = –8813 a(3) = –7809
C6H7N
3-Methylpyridine
C6H7N
a(1) = –6304 a(2) = –30415 a(3) = –44549 4-Methylpyridine
C6H12
a(1) = –6553 a(2) = –32873 a(3) = –49874 Cyclohexane
a(1) = –1733 a(2) = –5618 a(3) = –9486 a(4) = –7936
C6H12
Methylcyclopentane
C6H14
a(1) = –1512 a(2) = –2910 Hexane
a(1) = –1961 a(2) = –6691
T/K 390 400 450 500 550 290 300 310 320 330 340 350 400 450 500 550 600 360 370 380 390 400 410 420 430 380 390 400 410 420 430 380 390 400 410 420 430 300 320 340 360 380 400 420 440 460 480 500 520 540 560 305 315 325 335 345 300 310 320 330 340
B/cm3 mol–1 –492 –464 –357 –279 –218 –1588 –1454 –1335 –1231 –1139 –1056 –983 –712 –542 –429 –349 –291 –1656 –1523 –1404 –1297 –1202 –1117 –1040 –972 –1819 –1612 –1448 –1322 –1230 –1166 –1787 –1578 –1417 –1297 –1214 –1163 –1698 –1391 –1170 –1007 –883 –786 –707 –641 –584 –534 –488 –446 –406 –368 –1447 –1357 –1272 –1192 –1117 –1920 –1724 –1561 –1424 –1309
Virial Coefficients of Selected Gases Mol. form.
C6H15N
Name a(3) = –13167 a(4) = –15273
Triethylamine
a(1) = –2061 a(2) = –5735 a(3) = –5899
C7H8
Toluene
a(1) = –2620 a(2) = –7548 a(3) = –6349
C7H14
1-Heptene
a(1) = –2491 a(2) = –6230 a(3) = –3780
C7H16
Heptane
a(1) = –2834 a(2) = –8523 a(3) = –10068 a(4) = –5051
T/K 350 360 370 380 390 400 410 430 450 330 340 350 360 370 380 390 400 350 360 370 380 390 400 410 420 430 340 350 360 370 380 390 400 410 300 320 340 360 380 400 420 440 460 480
6-35 B/cm3 mol–1 –1209 –1123 –1046 –978 –916 –859 –806 –707 –616 –1562 –1444 –1340 –1249 –1169 –1099 –1037 –983 –1641 –1511 –1394 –1289 –1195 –1110 –1034 –965 –903 –1781 –1651 –1532 –1424 –1324 –1233 –1150 –1073 –2782 –2297 –1928 –1641 –1415 –1233 –1085 –963 –862 –775
Mol. form.
Name
C8H10
1,2-Dimethylbenzene
a(1) = –5632 a(2) = –22873 a(3) = –28900 C8H10
1,3-Dimethylbenzene
a(1) = –5808 a(2) = –23244 a(3) = –27607 C8H10
1,4-Dimethylbenzene
a(1) = –4921 a(2) = –16843 a(3) = –16159 C8H16
1-Octene
a(1) = –3273 a(2) = –6557 C8H18
Octane
a(1) = –4123 a(2) = –13120 a(3) = –16408 a(4) = –8580
T/K 500 540 580 620 660 700 380 390 400 410 420 430 440 380 390 400 410 420 430 440 380 390 400 410 420 430 440 360 370 380 390 400 410 300 350 400 450 500 550 600 650 700
B/cm3 mol–1 –702 –583 –490 –416 –355 –304 –2046 –1848 –1681 –1543 –1428 –1335 –1261 –2082 –1865 –1679 –1521 –1388 –1276 –1184 –2043 –1851 –1680 –1529 –1395 –1276 –1171 –2147 –2000 –1861 –1729 –1604 –1485 –4042 –2511 –1704 –1234 –936 –732 –583 –468 –375
VAN DER WAALS CONSTANTS FOR GASES The van der Waals equation of state for a real gas is ( P + n a/V )(V – nb) = nRT 2
2
where P is the pressure, V the volume, T the temperature, n the amount of substance (in moles), and R the gas constant. The van der Waals constants a and b are characteristic of the substance and are independent of temperature. They are related to the critical temperature and pressure, Tc and Pc, by a = 27 R Tc / 64 Pc 2
Substance Acetic acid Acetone Acetylene Ammonia Aniline Argon Benzene Bromine Butane 1-Butanol 2-Butanone Carbon dioxide Carbon disulfide Carbon monoxide Chlorine Chlorobenzene Chloroethane Chloromethane Cyclohexane Cyclopropane Decane 1-Decanol Diethyl ether Dimethyl ether Dodecane 1-Dodecanol Ethane Ethanol Ethylene Fluorine Furan Helium Heptane 1-Heptanol Hexane 1-Hexanol Hydrazine Hydrogen Hydrogen bromide Hydrogen chloride Hydrogen cyanide Hydrogen fluoride Hydrogen iodide
2
b = RTc / 8 Pc
a bar L2/mol2 17.71 16.02 4.516 4.225 29.14 1.355 18.82 9.75 13.89 20.94 19.97 3.658 11.25 1.472 6.343 25.80 11.66 7.566 21.92 8.34 52.74 59.51 17.46 8.690 69.38 75.70 5.580 12.56 4.612 1.171 12.74 0.0346 31.06 38.17 24.84 31.79 8.46 0.2452 4.500 3.700 11.29 9.565 6.309
This table gives values of a and b for some common gases. Most of the values have been calculated from the critical temperature and pressure values given in the table “Critical Constants” in this section. Van der Waals constants for other gases may easily be calculated from the data in that table. To convert the van der Waals constants to SI units, note that 1 bar L2/mol2 = 0.1 Pa m6/mol2 and 1 L/mol = 0.001 m3/mol.
Reference Reid, R. C, Prausnitz, J. M., and Poling, B. E., The Properties of Gases and Liquids, Fourth Edition, McGraw-Hill, New York, 1987.
b L/mol 0.1065 0.1124 0.0522 0.0371 0.1486 0.0320 0.1193 0.0591 0.1164 0.1326 0.1326 0.0429 0.0726 0.0395 0.0542 0.1454 0.0903 0.0648 0.1411 0.0747 0.3043 0.3086 0.1333 0.0774 0.3758 0.3750 0.0651 0.0871 0.0582 0.0290 0.0926 0.0238 0.2049 0.2150 0.1744 0.1856 0.0462 0.0265 0.0442 0.0406 0.0881 0.0739 0.0530
Substance Hydrogen sulfide Isobutane Krypton Methane Methanol Methylamine Neon Neopentane Nitric oxide Nitrogen Nitrogen dioxide Nitrogen trifluoride Nitrous oxide Octane 1-Octanol Oxygen Ozone Pentane 1-Pentanol Phenol Propane 1-Propanol 2-Propanol Propene Pyridine Pyrrole Silane Sulfur dioxide Sulfur hexafluoride Tetrachloromethane Tetrachlorosilane Tetrafluoroethylene Tetrafluoromethane Tetrafluorosilane Tetrahydrofuran Thiophene Toluene 1,1,1-Trichloroethane Trichloromethane Trifluoromethane Trimethylamine Water Xenon
a bar L2/mol2 4.544 13.32 5.193 2.303 9.476 7.106 0.208 17.17 1.46 1.370 5.36 3.58 3.852 37.88 44.71 1.382 3.570 19.09 25.88 22.93 9.39 16.26 15.82 8.442 19.77 18.82 4.38 6.865 7.857 20.01 20.96 6.954 4.040 5.259 16.39 17.21 24.86 20.15 15.34 5.378 13.37 5.537 4.192
b L/mol 0.0434 0.1164 0.0106 0.0431 0.0659 0.0588 0.0167 0.1411 0.0289 0.0387 0.0443 0.0545 0.0444 0.2374 0.2442 0.0319 0.0487 0.1449 0.1568 0.1177 0.0905 0.1079 0.1109 0.0824 0.1137 0.1049 0.0579 0.0568 0.0879 0.1281 0.1470 0.0809 0.0633 0.0724 0.1082 0.1058 0.1497 0.1317 0.1019 0.0640 0.1101 0.0305 0.0516
6-33
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MEAN FREE PATH AND RELATED PROPERTIES OF GASES In the simplest version of the kinetic theory of gases, molecules are treated as hard spheres of diameter d which make binary collisions only. In this approximation the mean distance traveled by a molecule between successive collisions, the mean free path l, is related to the collision diameter by: kT l= π 2 Pd 2 where P is the pressure, T the absolute temperature, and k the Boltzmann constant. At standard conditions (P = 100 000 Pa and T = 298.15 K) this relation becomes: l=
9.27 ⋅ 10 27 d2
where l and d are in meters. Using the same model and the same standard pressure, the collision diameter can be calculated from the viscosity η by the kinetic theory relation: η=
2.67 ⋅ 10 −20 ( MT )1/2 d2
where η is in units of µPa s and M is the molar mass in g/mol. Kinetic theory also gives a relation for the mean velocity v of molecules of mass m: Gas Air Ar CO2 H2 He Kr N2 NH3 Ne O2 Xe
d 3.66·10–10 m 3.58 4.53 2.71 2.15 4.08 3.70 4.32 2.54 3.55 4.78
8kT v = πm
1/2
= 145.5(T /M )1/2 m/s
Finally, the mean time τ between collisions can be calculated from the relation τv= l. The table below gives values of l, v, and τ for some common gases at 25°C and atmospheric pressure, as well as the value of d, all calculated from measured gas viscosities (see References 2 and 3 and the table “Viscosity of Gases” in this section). It is seen from the above equations that the mean free path varies directly with T and inversely with P, while the mean velocity varies as the square root of T and, in this approximation, is independent of P. A more accurate model, in which molecular interactions are described by a Lennard-Jones potential, gives mean free path values about 5% lower than this table (see Reference 4).
‒
‒
References 1. Reid, R. C., Prausnitz, J. M., and Poling, B. E., The Properties of Gases and Liquids, Fourth Edition, McGraw-Hill, New York, 1987. 2. Lide, D. R., and Kehiaian, H. V., CRC Handbook of Thermophysical and Thermochemical Data, CRC Press, Boca Raton, FL, 1994. 3. Vargaftik, N. B., Tables of Thermophysical Properties of Liquids and Gases, Second Edition, John Wiley, New York, 1975. 4. Kaye, G. W. C., and Laby, T. H., Tables of Physical and Chemical Constants, 15th Edition, Longman, London, 1986.
l 6.91·10–8 m 7.22 4.51 12.6 20.0 5.58 6.76 4.97 14.3 7.36 4.05
‒
v 467 m/s 397 379 1769 1256 274 475 609 559 444 219
τ 148 ps 182 119 71 159 203 142 82 256 166 185
6-34
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INFLUENCE OF PRESSURE ON FREEZING POINTS This table illustrates the variation of the freezing point of representative types of liquids with pressure. Substances are listed in alphabetical order. Note that 1 MPa = 0.01 kbar = 9.87 atm.
Substance Acetic acid Acetophenone Aniline Benzene Benzonitrile Benzyl alcohol Bromobenzene Bromoethane 1-Bromonaphthalene 1-Bromopropane p-Bromotoluene Butanoic acid 1-Butanol Carbon disulfide Chlorobenzene p-Chlorotoluene o-Cresol m-Cresol p-Cresol Cyclohexane Cyclohexanol 1,2-Dibromoethane p-Dichlorobenzene Dichloromethane N,N-Dimethylaniline 1,4-Dioxane Ethanol Formamide Formic acid Furan Hexamethyldisiloxane Menthol Methyl benzoate 2-Methyl-2-butanol 2-Methyl-2-propanol Naphthalene Nitrobenzene m-Nitrotoluene Pentachloroethane Potassium Potassium chloride Propanoic acid Silver chloride Sodium Sodium chloride Sodium fluoride Tetrachloromethane Tribromomethane Trichloromethane Water o-Xylene m-Xylene p-Xylene
Molecular formula C2H4O2 C8H8O C6H7N C6H6 C7H5N C7H8O C6H5Br C2H5Br C10H7Br C3H7Br C7H7Br C4H8O2 C4H10O CS2 C6H5Cl C7H7Cl C7H8O C7H8O C7H8O C6H12 C6H12O C2H4Br2 C6H4Cl2 CH2Cl2 C8H11N C4H8O2 C2H6O CH3NO CH2O2 C4H4O C6H18OSi2 C10H20O C8H8O2 C5H12O C4H10O C10H8 C6H5NO2 C7H7NO2 C2HCl5 K ClK C3H6O2 AgCl Na ClNa FNa CCl4 CHBr3 CHCl3 H2O C8H10 C8H10 C8H10
References 1. Isaacs, N. S., Liquid Phase High Pressure Chemistry, John Wiley, New York, 1981. 2. Merrill, L., J. Phys. Chem. Ref. Data, 6, 1205, 1977; 11, 1005, 1982. Freezing point in °C at: 0.1 MPa 100 MPa 1000 MPa 16.6 37 20.0 41.2 –6.0 13.5 140 5.5 33.4 –12.8 7.6 –15.2 0.2 –30.6 –12 108 –118.6 –108 –1.8 6.1 –110 –98 28.0 56.7 –5.7 13.8 –89.8 –77.2 –111.5 –98 –45.2 –28 84 6.9 33.1 29.8 47.7 11.8 25.6 35.8 56.2 6.6 32.5 25.5 62.3 9.9 34.0 52.7 79.1 –95.1 –83 2.5 26.3 11 23 –114.1 –108 –15.5 10.8 8.3 20.6 –85.6 –73 –66 –37 42 60 –15 31.8 –8.8 13.4 25.4 58.1 78.2 115.7 5.7 13.5 15.5 40.6 –29.0 –6.3 63.7 78 170 771 945 –20.7 –1.2 455 545 97.8 106 167 800.7 997 996 1115 –23.0 14.2 8.1 31.5 –63.6 –45.2 0.0 –9.0 –25.2 –3.5 –47.8 –25.2 13.2 46.0
6-35
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4/29/05 4:17:32 PM
CRITICAL CONSTANTS The parameters of the liquid–gas critical point are important constants in determining the behavior of fluids. This table lists the critical temperature, pressure, and molar volume, as well as the normal boiling point, for over 1000 inorganic and organic substances. The properties and their units are: Tb: Normal boiling point in kelvins at a pressure of 101.325 kPa (1 atmosphere); an “s” following the value indicates a sublimation point (temperature at which the solid is in equilibrium with the gas at a pressure of 101.325 kPa) Tc: Critical temperature in kelvins Pc: Critical pressure in megapascals Vc: Critical molar volume in cm3/mol The number of digits given for Tb, Tc, and Pc indicates the estimated accuracy of these quantities; however, values of Tc greater than 750 K may be in error by 10 K or more. Although most Vc values are given to three figures, they cannot be assumed accurate to better than a few percent. All values are experimentally determined except for a few values, indicated by an asterisk*, that are based on extrapolations. Methods of measurement are described and critiqued in Reference 1. Some of the compounds in the table undergo thermal decomposition at temperatures near the critical temperature. The listed values were obtained by pulse heating methods, as described in the references by Nikitin, et al. (References 16, 31, 48, 50, etc.). Many of the critical constants in this table are taken from reviews produced by the IUPAC Commission on Thermodynamics (References 1–9). Compounds are listed alphabetically by name, with compounds not containing carbon preceding those that do contain carbon.
References 1. Ambrose, D., and Young, C. L., J. Chem. Eng. Data 40, 345, 1995. [IUPAC Part 1] 2. Ambrose, D., and Tsonopoulos, C., J. Chem. Eng. Data 40, 531, 1995. [IUPAC Part 2] 3. Tsonopoulos, C., and Ambrose, D., J. Chem. Eng. Data 40, 547, 1995. [IUPAC Part 3] 4. Gude, M., and Teja, A. S., J. Chem. Eng. Data, 40, 1025, 1995. [IUPAC Part 4] 5. Daubert, T. E., J. Chem. Eng. Data, 41, 365, 1996. [IUPAC Part 5] 6. Tsonopoulos, C., and Ambrose, D., J. Chem. Eng. Data 41, 645, 1996. [IUPAC Part 6] 7. Kudcharker, A. P., Ambrose, D., and Tsonopoulos, C., J. Chem. Eng. Data, 46, 457, 2001. [IUPAC Part 7] 8. Tsonopoulos, C., and Ambrose, D., J. Chem. Eng. Data 46, 480, 2001. [IUPAC Part 8] 9. Marsh, K. N., et al., J. Chem. Eng. Data 51, 305, 2006. [IUPAC Part 9] 10. Das, A., Frenkel, M., Gadalla, N. A. M., Kudchadker, S., Marsh, K. N., Rodgers, A. S., and Wilhoit, R. C., J. Phys. Chem. Ref. Data 22, 659, 1993. 11. Wilson, L. C., Wilson, H. L., Wilding, W. V., and Wilson, G. M., J. Chem. Eng. Data 41, 1252, 1996. 12. Daubert, T. E., Danner, R. P., Sibul, H. M., and Stebbins, C. C., Physical and Thermodynamic Properties of Pure Compounds: Data Compilation, extant 2002 (core with supplements), Taylor & Francis, Bristol, PA. 13. Morton, D. W., Lui, M. P. W., Tran, C. A., and Young, C. L., J. Chem. Eng. Data 45, 437, 2000. 14. VonNiederhausern, D. M., Wilson, L. C., Giles, N. F., and Wilson, G. M., J. Chem. Eng. Data, 45, 154, 2000.
15. VonNiederhausern, D. M., Wilson, G. M., and Giles, N. F., J. Chem. Eng. Data, 45, 157, 2000. 16. Nikitin, E. D., Popov, A. P., Bogatishcheva, N. S., and Yatluk, Y. G., J. Chem. Eng. Data 47, 1012, 2002. 17. Wilson, G. M., VonNiederhausern, D. M., and Giles, N. F., J. Chem. Eng. Data 47, 761, 2002. 18. Wang, B. H., Adcock, J. L., Mathur, S. B., and Van Hook, W. A., J. Chem. Thermodynamics 23, 699, 1991. 19. Chae, H. B., Schmidt, J. W., and Moldover, M. R., J. Phys. Chem. 94, 8840, 1990. 20. Dillon, I. G., Nelson, P. A., and Swanson, B. S., J. Chem. Phys. 44, 4229, 1966. 21. Physical Constants of Hydrocarbon and Non-Hydrocarbon Compounds, ASTM Data Series DS 4B, ASTM, Philadelphia, 1988. 22. Nowak, P., Tielkes, T., Kleinraum, R., and Wagner, W., J. Chem. Thermodynamics 29, 885, 1997. 23. Steele, W. V., Chirico, R. D., Nguyen, A., and Knipmeyer, S. E., J. Chem. Thermodynamics 27, 311, 1995 24. Duan, Y. Y., Shi, L., Zhu, M. S., and Han, L. Z., J. Chem. Eng. Data 44, 501, 1999. 25. Weber, L. A., and Defibaugh, D. R., J. Chem. Eng. Data 41, 382, 1996. 26. Duarte-Garza, H. A., Hwang, C. A., Kellerman, S. A., Miller, R. C., Hall, K. R., and Holste, J. C., J. Chem. Eng. Data 42, 497, 1997. 27. Weber, L. A., and Defibaugh, D. R., J. Chem. Eng. Data 41, 1477, 1996. 28. Fujiwara, K., Nakamura, S., and Noguchi, M., J. Chem. Eng. Data 43, 55, 1998. 29. Widiatmo, J. V., Morimoto, Y., and Watanabe, K., J. Chem. Eng. Data 47, 1246, 2002. 30. Duarte-Garza, H. A., Stouffer, C. E., Hall, K. R., Holste, J. C., Marsh, K. N., and Gammon, B. E., J. Chem. Eng. Data 42, 745, 1997. 31. Nikitin, E. D., Pavlov, P. A., Popov, A. P., and Nikitina, H. E., J. Chem. Thermodynamics 27, 945, 1995. 32. Sako, T., Sato, M., Nakazawa, N., Oowa, M., Yasumoto, M., Ito, H., and Yamashita, S., J. Chem. Eng. Data 41, 802, 1996. 33. Zhang, H-L, Sato, H., and Watanabe, K., J. Chem. Eng. Data 40, 1281, 1995. 34. Sifner, O., and Klomfar, J., J. Phys. Chem. Ref. Data 23, 63, 1994. 35. Younglove, B. A., and McLinden, M. O., J. Phys. Chem. Ref Data 23, 731, 1994. 36. Tillner-Roth, R., and Baehr, H. D., J. Phys. Chem. Ref. Data 23, 657, 1994. 37. Xiang, H. W., J. Phys. Chem. Ref. Data 30, 1161, 2001. 38. Goodwin, A. H. R., Defibaugh, D. R., and Weber, L. A., J. Chem. Eng. Data 43, 846, 1998. 39. Lim, J. S., Park, K. H., Lee, B. G., and Kim, J-D., J. Chem. Eng. Data 46, 1580, 2001. 40. Linstrom, P. J., and Mallard, W. G., Eds., NIST Chemistry WebBook, NIST Standard Reference Database No. 69, June 2005, National Institute of Standards and Technology, Gaithersburg, MD, http:// webbook.nist.gov. 41. ASHRAE Fundamentals Handbook 2001, Chapter 19. Refrigerants, American Society of Heating, Refrigerating, and Air-Conditioning Engineers, Atlanta, GA, 2001. 42. Fialho, P. S., and Nieto de Castro, C. A., Int. J. Thermophys. 21, 385, 2000. 43. Vargaftik, N. B., Int. J. Thermophys. 11, 467, 1990 44. Vargaftik, N.B., Vinogradov, Y. K., and Yargin, V. S., Handbook of Physical Properties of Liquids and Gases, Third Edition, Begell House, New York, 1996. 45. Schmidt, J. W., Carrillo-Nava, E., and Moldover, M. R., Fluid Phase Equilibria, 122, 187, 1996. 46. Defibaugh, D. R., Gillis, K. A., Moldover, M. R., Morrison, G., and Schmidt, J. W., Fluid Phase Equilibria 81, 285, 1992. 47. Salvi-Narkhede, M., Wang, B-H., Adcock, J. L., and Van Hook, W. A., J. Chem. Thermodynamics 24, 1065, 1992.
6-39
Critical Constants
6-40 48. Nikitin, E. D., Pavlov, P. A., and Popov, A. P., Fluid Phase Equilib. 189, 151, 2001. 49. Ambrose, D., Vapor-Liquid Constants of Fluids, in Stevenson, R. M., and Malanowski, S., Handbook of the Thermodynamics of Organic Compounds, Elsevier, New York, 1987. 50. Nikitin, E. D., and Popov, A. P., J. Chem. Eng. Data 51, 1335, 2006. 51. Nikitin, E. D., Popov, A. P., and Yatluk, Y. G., J. Chem. Eng. Data 51, 1326, 2006. 52. Higashi, Y., J. Chem. Eng. Data 51, 406, 2006. 53. Chirico, R. D., and Steele, W. V., J. Chem. Eng. Data 50, 697, 2005. 54. Lemmon, E. W., and Span, R., J. Chem. Eng. Data 51, 785, 2006. 55. Goodwin, R. D., J. Phys. Chem. Ref. Data 14, 849, 1985. 56. Nikitin, E. D., Popov, A. P., and Yatluk, Y. G., J. Chem. Eng. Data 51, 609, 2006. 57. Nikitin, E. D., Popov, A. P., Bogatishcheva, N. S., and Yatluk, Y. G., J. Chem. Eng. Data 49, 1515, 2004. 58. Nikitin, E. D., Popov, A. P., and Bogatishcheva, N. S., J. Chem. Eng. Data 48, 1137, 2003. 59. Morton, D. W., et al., J. Chem. Eng. Data 49, 283, 2004. 60. VonNiederhausern, D. M., Wilson, G. M., and Giles, N. F., J. Chem. Eng. Data 51, 1982, 2006. 61. Otake, K., et al., J. Chem. Eng. Data 48, 1380, 2003. 62. Wu, J., et al., J. Chem. Eng. Data 49, 704, 2004. 63. Sako, T., et al., J. Chem. Eng. Data 46, 1078, 2001. 64. Otake, K., J. Chem. Eng. Data 49, 1643, 2004. 65. Yasumoto, M., et al., J. Chem. Eng. Data 48, 1368, 2003. 66. Uchida, Y., et al., J. Chem. Eng. Data 49, 1615, 2004. 67. Yasumoto, M., et al., J. Chem. Eng. Data 50, 596, 2005.
Name Compounds not containing carbon Aluminum bromide Aluminum chloride Aluminum iodide Ammonia Ammonium chloride Antimony(III) bromide Antimony(III) chloride Antimony(III) iodide Argon Arsenic Arsenic(III) chloride Arsine Beryllium Bismuth Bismuth tribromide Bismuth trichloride Boron tribromide Boron trichloride Boron trifluoride Boron triiodide Bromine Cesium Chlorine Chlorine pentafluoride Chlorotrifluorosilane Diborane Dichlorodifluorosilane Difluoramine cis-Difluorodiazine
68. Masui, G., Honda, Y., and Uematsu, M., J. Chem. Thermodynamics 38, 1711, 2006. 69. Varushchenko, R. M., et al., J. Chem. Thermodynamics 33, 733, 2001. 70. Funke, M., Kleinrahm, R., and Wagner, W., J. Chem. Thermodynamics 34, 717, 2002. 71. Velasco, S., et al., Fluid Phase Equilib. 244, 11, 2006. 72. Ihmels, E. C., Fischer, K., and Gmehling, J., Fluid Phase Equilib. 228229, 155, 2005. 73. Sato, M., Masui, G., and Uematsu, M., J. Chem. Thermodynamics 37, 931, 2005. 74. Cibulka, I., Takagi, T., and Ruzicka, K., J. Chem. Eng. Data 46, 2, 2001. 75. Steele, W. V., et al., J. Chem. Eng. Data 47, 648, 2002. 76. Steele, W. V., et al., J. Chem. Eng. Data 47, 667, 2002. 77. Steele, W. V., et al., J. Chem. Eng. Data 47, 725, 2002. 78. Diefenbacher, A., Crone, M., and Turk, M., J. Chem. Thermodynamics 30, 481, 1998. 79. Steele, W. V., et al., J. Chem. Eng. Data 47, 700, 2002. 80. Nikitin, E. D., Pavlov, P. A., and Popov, A. P., Fluid Phase Equilib. 149, 223, 1998. 81. VonNiederhausern, D. M., Wilson, G. M., and Giles, N. F., J. Chem. Eng. Data 51, 1986, 2006. 82. VonNiederhausern, D. M., Wilson, G. M., and Giles, N. F., J. Chem. Eng. Data 51, 1990, 2006. 83. Huber, M. L., Laesecke, A., and Friend, D. G., The Vapor Pressure of Mercury, NISTIR 6643, National Institute of Standards and Technology, Boulder, CO, March, 2006; Ind. Eng. Chem. Res. 45, 7351.
Mol Form. AlBr3 AlCl3 AlI3 H3N ClH4N Br3Sb Cl3Sb I3Sb Ar As AsCl3 AsH3 Be Bi BiBr3 BiCl3 BBr3 BCl3 BF3 BI3 Br2 Cs Cl2 ClF5 ClF3Si B2H6 Cl2F2Si F2HN F2N2
Tb/K
Tc/K
Pc/MPa
Vc/cm3molâ&#x20AC;&#x201C;1
528 453 s 655 239.82 611 s 561 493.5 673 87.30 889 s 403 210.7 2744 1837 735 714 364.4 285.80 173.3 482.7 332.0 944 239.11 260.1 203.2 180.8 241 250 167.40
763 620 983 405.56 1155 904 794 1102 150.87 1673 654 373.1 5205* 4620* 1220 1179 581 455 260.8 773 588 1938 416.9 416 307.7 289.8 369.0 403 272
2.89 2.63
310 257 408 69.8
11.357 163.5
300 272 4.898
12.0 3.87 4.98 10.34 9.4 7.991 5.27 3.46 4.05 3.5 7.09
75 35 252
301 261 272 239 115 356 127 341 123 233
Ref. 49 49 49 49,73 49 49 49 49 49 49 49 49 71 71 49 49 49 49 49 49 49 43 49 49 49 49 49 49 49
Critical Constants
6-41 Name
trans-Difluorodiazine Fluorine Fluorine monoxide Gallium(III) bromide Gallium(III) chloride Gallium(III) iodide Germane Germanium Germanium(IV) bromide Germanium(IV) chloride Germanium(IV) iodide Hafnium(IV) bromide Hafnium(IV) chloride Hafnium(IV) iodide Helium Hydrazine Hydrogen Hydrogen bromide Hydrogen chloride Hydrogen fluoride Hydrogen iodide Hydrogen peroxide Hydrogen selenide Hydrogen sulfide Iodine Iodine bromide Iron Krypton Lithium Manganese Mercury Mercury(II) bromide Mercury(II) chloride Mercury(II) iodide Molybdenum(V) chloride Molybdenum(VI) fluoride Neon Niobium(V) chloride Niobium(V) fluoride Nitric oxide Nitrogen Nitrogen chloride difluoride Nitrogen tetroxide Nitrogen trifluoride Nitrosyl chloride Nitrous oxide Nitryl fluoride Osmium(VIII) oxide Oxygen Ozone Perchloryl fluoride Phosphine Phosphonium chloride Phosphorothioc chloride difluoride Phosphorothioc trifluoride
Mol Form. F2N2 F2 F2O Br3Ga Cl3Ga GaI3 GeH4 Ge Br4Ge Cl4Ge GeI4 Br4Hf Cl4Hf HfI4 He H4N2 H2 BrH ClH FH HI H2O2 H2Se H2S I2 BrI Fe Kr Li Mn Hg Br2Hg Cl2Hg HgI2 Cl5Mo F6Mo Ne Cl5Nb F5Nb NO N2 ClF2N N2O4 F3N ClNO N2O FNO2 O4Os O2 O3 ClFO3 H3P ClH4P ClF2PS F3PS
Tb/K 161.70 85.03 128.8 552 474 613 185.1 3106 459.50 359.70 621 596 s 590 s 667 s 4.22 386.70 20.28 206.77 188 293 237.60 423.4 231.90 213.60 457.6 389 3134 119.93 1615 2334 629.77 591 577 624 541 307.2 27.10 520.6 507 121.41 77.35 206 294.30 144.40 267.7 184.67 200.8 404.4 90.20 161.80 226.40 185.40 246 s 279.5 220.90
Tc/K 260 144.13 215 806.7 694 951 312.2 9802* 718 553.2 973 746 725.7 916 5.19 653 32.97 363.2 324.7 461 424.0 728* 411 373.1 819 719 9340* 209.48 3223* 4325* 1764 1012 973 1072 850 473 44.4 803.5 737 180 126.21 337.5 431 234.0 440 309.52 349.5 678 154.59 261.1 368.4 324.5 322.3 439.2 346.0
Pc/MPa 5.57 5.172
4.95
3.861
5.42 0.227 14.7 1.293 8.55 8.31 6.48 8.31 22* 8.92 9.00
5.525 67* 167
Vc/cm3molâ&#x20AC;&#x201C;1 66 303 263 395 147 392 330 500 415 314 528 57 65 81 69
99 155 139 91 66* 43 174
4.75 2.76 4.88 6.28 6.48 3.39 5.15 10.1 4.46
369 226 42 397 155 58 90 167 126
7.245
97
5.043 5.57 5.37 6.54 7.37 4.14 3.82
73 89 161
Ref. 49 49 49 49 49 49 49 71 49 49 49 49 49 49 49 49 49 49 49 49 49 31 49 49,54 49 49 71 49,54 20 71 49,83 49 49 49 49 49 49 49 49 49 49 49 49 49 49 49,54 49 49 49 49 49 49 49 49 49
Critical Constants
6-42 Name
Phosphorus Phosphorus(III) bromide Phosphorus(III) chloride Phosphorus(V) chloride Phosphorus(III) chloride difluoride Phosphorus(III) dichloride fluoride Phosphorus(III) fluoride Potassium Radon Rhenium(VII) oxide Rhenium(VI) oxytetrachloride Rubidium Selenium Selenium hexafluoride Selenium oxychloride Silver Sodium Sulfur Sulfur chloride pentafluoride Sulfur dioxide Sulfur hexafluoride Sulfur tetrafluoride Sulfur trioxide Tantalum(V) bromide Tantalum(V) chloride Tellurium Tellurium hexafluoride Tellurium tetrachloride Tetrabromosilane Tetrachlorosilane Tetrafluorohydrazine Tetrafluorosilane Tetraiodosilane Tin(IV) bromide Tin(IV) chloride Tin(IV) iodide Titanium(IV) bromide Titanium(IV) chloride Titanium(IV) iodide Tribromosilane Trichlorofluorosilane Trichlorosilane Trifluoramine oxide Tungsten(VI) chloride Tungsten(VI) fluoride Tungsten(VI) oxytetrachloride Uranium(VI) fluoride Vanadyl chloride Water Xenon Xenon difluoride Xenon tetrafluoride Zirconium(IV) bromide Zirconium(IV) chloride Zirconium(IV) iodide
Mol Form. P Br3P Cl3P Cl5P ClF2P Cl2FP F3P K Rn O7Re2 Cl4ORe Rb Se F6Se Cl2OSe Ag Na S ClF5S O2S F6S F4S O3S Br5Ta Cl5Ta Te F6Te Cl4Te Br4Si Cl4Si F4N2 F4Si I4Si Br4Sn Cl4Sn I4Sn Br4Ti Cl4Ti I4Ti Br3HSi Cl3FSi Cl3HSi F3NO Cl6W F6W Cl4OW F6U ClOV H2O Xe F2Xe F4Xe Br4Zr Cl4Zr I4Zr
Tb/K 553.7 446.4 349.3 433 s 225.9 287.00 171.4 1032 211.5 633 496 961 958 226.55 s 450 2435 1156 717.76 254.10 263.10 209.35 s 232.70 317.7 622 512.50 1261 234.25 s 660 427 330.80 199 187 560.50 478 387.30 637.50 506.7 409.60 650 382 285.40 306 185.7 610 290.3 503 329.65 s 400 373.2 165.03 387.50 s 388.90 s 633 s 604 s 704 s
Tc/K 994 711 563 646 362.4 463.0 271.2 2223* 377 942 781 2093* 1766 345.5 730 6410* 2573* 1314 390.9 430.64 318.723 364 491.0 974 767 2329* 356 1002 663 508.1 309 259.0 944 744 591.9 968 795.7 638 1040 610.0 438.6 479 303 923 444 782 505.8 636 647.14 289.733 631 612 805 778 960
Pc/MPa
Vc/cm3molâ&#x20AC;&#x201C;1 300 264
4.52 4.96 4.33 16* 6.28
16* 27.2 7.09 35* 20.7
209* 334 362 247*
235 116*
7.884 3.77
122 197
8.2
127 461 402
8.56
310 382 326
3.593 3.75 3.72
3.75
4.66
558 417 351 531 391 339 505 305
3.58 6.43 4.34 4.66 22.06 5.842 9.32 7.04 5.77
268 147 422 233 338 250 171 56 118 148 188 424 319 530
Ref. 49 49 49 49 49 49 49 20 49 49 49 20 49 49 49 71 20 49 49 49,54 49,70 49 49 49 49 71 49 49 49 49 49 49 49 49 49 49 49 49 49 49 49 49 49 49 49 49 49 49 49 34,54 49 49 49 49 49
Critical Constants
6-43 Name
Compounds containing carbon Acenaphthylene Acetaldehyde Acetic acid Acetic anhydride Acetone Acetonitrile Acetophenone Acetylene Acridine Acrylonitrile Allene Allyl alcohol Allylamine Allyl ethyl ether 2-Aminobiphenyl 2-(2-Aminoethoxy)ethanol N-(2-Aminoethyl)ethanolamine Aniline Anisole Anthracene Benzaldehyde Benzene Benzeneacetic acid Benzenebutanoic acid Benzeneethanol Benzeneheptanoic acid Benzenehexanoic acid Benzenepentanoic acid Benzenepropanoic acid Benzonitrile Benzophenone Benzo[b]thiophene Benzyl alcohol [1,1â&#x20AC;&#x2122;-Bicyclohexyl]-2-one Biphenyl Bis(2-aminoethyl)amine 1,1-Bis(difluoromethoxy)-1,2,2,2-tetrafluoroethane Bis(difluoromethyl) ether [HFE-134] Bis(2-ethylhexyl) phthalate Bis(2-hydroxyethyl)methylamine Bis(2,2,2-trifluoroethyl) ether Bis(trimethylsilyl)methane Bromobenzene 1-Bromobutane Bromochlorodifluoromethane [R-12B1] Bromodifluoromethane [R-22B1] Bromoethane 1-Bromo-2-fluorobenzene 1-Bromo-3-fluorobenzene 1-Bromo-4-fluorobenzene Bromomethane Bromopentafluorobenzene 1-Bromopropane 2-Bromopropane
Mol Form.
Tb/K
Tc/K
C12H8 C2H4O C2H4O2 C4H6O3 C3H6O C2H3N C8H8O C2H2 C13H9N C3H3N C3H4 C3H6O C3H7N C5H10O C12H11N C4H11NO2 C4H12N2O C6H7N C7H8O C14H10 C7H6O C6H6 C8H8O2 C10H12O2 C8H10O C13H18O2 C12H16O2 C11H14O2 C9H10O2 C7H5N C13H10O C8H6S C7H8O C12H20O C12H10 C4H13N3 C4H2F8O2 C2H2F4O C24H38O4 C5H13NO2 C4H4F6O C7H20Si2 C6H5Br C4H9Br CBrClF2 CHBrF2 C2H5Br C6H4BrF C6H4BrF C6H4BrF CH3Br C6BrF5 C3H7Br C3H7Br
553 293.3 391.1 412.7 329.20 354.80 475 188.45 s 618.01 350.5 238.8 370.5 326.5 340.8 572 494 512 457.32 426.9 613.1 452.0 353.24 538.7 563 491.9
792 466 590.7 606 508.1 545.5 709.6 308.3 891.1 540 394 547.1 540.0 518 838 721.2 739.2 705 646.5 869.3 695 562.05 766 783 723.5 798 794 790 776 700 830 764 715 787 773 710 449.81 420.25 835 741.9 476.31 573.9 670 572 426.88 411.98 503.9 669.6 652.0 654.8 464 601 536 521
553.0 464.3 578.6 494 478.46 537 529.3 480 319.95 275 657 520 336.91 406 429.21 374.8 269.5 258.6 311.7 427 423 424.7 276.7 410 344.3 332.7
Pc/MPa
Vc/cm3molâ&#x20AC;&#x201C;1
3.20 5.78 4.0 4.70 4.85 4.01 6.138 3.21 4.66 5.25 5.64 4.83 3.93 4.80 4.65 5.63 4.24 4.7 4.895 3.95 3.21 3.99 2.47 2.60 2.95 3.46 4.2 3.35 4.76 4.3 3.38 4.4 2.421 4.228 1.07 4.16 2.783 1.99 4.52 4.254 5.132 6.23
154 171 213 171 388 112.2 548
584
291 341 554 256
568 379
497
223
324 325 246 275 215
153 3.0 270 266
Ref. 21 7 7 7 7,54 9,14 7,23 6 10 9,11,12 6 60,4 9 7 9 82 17 9,49 7,11,12 49 7 3 50 50 60 50 50 50 50 9,49 7 8 49 7 3 9,14,17 63 46 51 82 65 8 49 74 49 47 49 13 13 13 74 49 74 74
Critical Constants
6-44 Name Bromotrifluoromethane [R-13B1] 1-Bromo-2-(trifluoromethyl)benzene 1-Bromo-3-(trifluoromethyl)benzene 1-Bromo-4-(trifluoromethyl)benzene 1,3-Butadiene Butanal Butane 1,4-Butanediamine 1,2-Butanediol 1,3-Butanediol 1,4-Butanediol Butanenitrile 1-Butanethiol Butanoic acid 1-Butanol 2-Butanol 2-Butanone 1-Butene cis-2-Butene trans-2-Butene 2-Butoxyethanol 1-tert-Butoxy-2-ethoxyethane 2-Butoxyethyl acetate 1-tert-Butoxy-2-methoxyethane 1-Butoxy-2-propanol Butyl acetate sec-Butyl acetate tert-Butyl acetate Butyl acrylate Butylamine sec-Butylamine tert-Butylamine Butylbenzene sec-Butylbenzene tert-Butylbenzene Butyl butanoate Butylcyclohexane tert-Butylcyclohexane tert-Butyl ethyl ether Butyl methyl ether Butyl propanoate Butyl vinyl ether 1-Butyne 2-Butyne Îł-Butyrolactone Carbazole Carbon dioxide Carbon disulfide Carbon monoxide Carbon oxysulfide Carbonyl chloride 3-Carene Chlorobenzene 1-Chlorobutane 2-Chlorobutane
Mol Form. CBrF3 C7H4BrF3 C7H4BrF3 C7H4BrF3 C4H6 C4H8O C4H10 C4H12N2 C4H10O2 C4H10O2 C4H10O2 C4H7N C4H10S C4H8O2 C4H10O C4H10O C4H8O C4H8 C4H8 C4H8 C6H14O2 C8H18O2 C8H16O3 C7H16O2 C7H16O2 C6H12O2 C6H12O2 C6H12O2 C7H12O2 C4H11N C4H11N C4H11N C10H14 C10H14 C10H14 C8H16O2 C10H20 C10H20 C6H14O C5H12O C7H14O2 C6H12O C4H6 C4H6 C4H6O2 C12H9N CO2 CS2 CO COS CCl2O C10H16 C6H5Cl C4H9Cl C4H9Cl
Tb/K 215.4 440.7 424.7 433 268.74 348.0 272.7 431.7 463.7 480.7 508 390.8 371.7 436.90 390.88 372.66 352.74 266.89 276.86 274.03 441.6 421.2 465 444.7 399.3 385 368.3 418 350.15 335.88 317.19 456.46 446.5 442.3 439 453 444.7 345.8 343.31 420.0 367 281.23 300.1 477 627.84 194.6 s 319 81.7 223 281 444 404.87 351.6 341.4
Tc/K 340.2 656.5 627.1 629.8 425 537 425.16 651 680 692.4 723.8 585.4 570 615.2 563.0 536.2 536.7 419.29 435.75 428.61 634 585 640.7 574 624.9 575.6 571 541.2 601.2 531.9 514 483.7 660.5 652.5 647.5 612.1 653.1 652.0 509.4 512.7 594.5 540 440 488.7 732.5 901.8 304.13 552 132.86 375 455 658 633.4 539.2 518.6
Pc/MPa 3.97
4.32 4.32 3.787 4.54 5.21 5.18 5.52 3.88 4.0 4.06 4.414 4.202 4.207 4.005 4.226 4.027 3.27 2.694 2.739 3.14 3.01 3.04 2.84 4.20 5.0 3.85 2.89 3.025 2.90 2.56 2.934 3.37 3.20 4.60 5.10 3.13 7.375 7.90 3.494 5.88 5.67 4.52
Vc/cm3molâ&#x20AC;&#x201C;1 Ref. 196 49 13 13 13 221 6 258 7 255 2,67 9,56 303 7,23 305 7,23,81 17 9,49 324 8 292 7 274 4 269 4 267 7 235.8 6,72 235.6 6,72 237.3 6,72 424 7 7 549 7 7 14 7 7 82 82 9,10 9,10 293 9,10 497 3 490 75 485 75 7 58,59 59 395 7 329 7 7 384 7 208 6 49 7,11,82 454 10 94 22 173 49 93 49,54,55 137 49,54 190 49 487 6 308 13,49 13 13
Critical Constants
6-45 Name
Chlorocyclohexane 1-Chloro-2,4-difluorobenzene 1-Chloro-2,5-difluorobenzene 1-Chloro-3,4-difluorobenzene 1-Chloro-3,5-difluorobenzene 1-Chloro-1,1-difluoroethane [R-142b] 1-Chloro-2,2-difluoroethene Chlorodifluoromethane [R-22] Chloroethane [R-160] Chloroethene [R-1140] 1-Chloro-2-fluorobenzene 1-Chloro-3-fluorobenzene 1-Chloro-4-fluorobenzene Chlorofluoromethane [R-31] 1-Chloroheptane 1-Chlorohexane Chloromethane [R-40] 2-Chloro-2-methylbutane 3-Chloro-3-methylpentane 2-Chloro-2-methylpropane Chloromethylsilane 1-Chlorooctane Chloropentafluoroacetone Chloropentafluorobenzene Chloropentafluoroethane [R-115] 1-Chloropentane 1-Chloropropane 2-Chloropropane 3-Chloropropene 1-Chloro-1,1,2,2-tetrafluoroethane [R-124a] 1-Chloro-1,2,2,2-tetrafluoroethane [R-124] 2-Chloro-1,1,1-trifluoroethane [R-133a] Chlorotrifluoroethene [R-1113] Chlorotrifluoromethane [R-13] o-Cresol m-Cresol p-Cresol Cyanogen Cyclobutane Cycloheptane Cyclohexane Cyclohexanethiol Cyclohexanol Cyclohexanone Cyclohexene Cyclohexylamine Cyclononane Cyclooctane Cyclopentane Cyclopentanol Cyclopentanone Cyclopentene Cyclopropane 1,3-Decadiene cis-Decahydronaphthalene
Mol Form. C6H11Cl C6H3ClF2 C6H3ClF2 C6H3ClF2 C6H3ClF2 C2H3ClF2 C2HClF2 CHClF2 C2H5Cl C2H3Cl C6H4ClF C6H4ClF C6H4ClF CH2ClF C7H15Cl C6H13Cl CH3Cl C5H11Cl C6H13Cl C4H9Cl CH5ClSi C8H17Cl C3ClF5O C6ClF5 C2ClF5 C5H11Cl C3H7Cl C3H7Cl C3H5Cl C2HClF4 C2HClF4 C2H2ClF3 C2ClF3 CClF3 C7H8O C7H8O C7H8O C2N2 C4H8 C7H14 C6H12 C6H12S C6H12O C6H10O C6H10 C6H13N C9H18 C8H16 C5H10 C5H10O C5H8O C5H8 C3H6 C10H18 C10H18
Tb/K 415 400 401 400 391.7 264.1 254.7 232.5 285.5 259.4 410.8 400.8 403 264.1 433.6 408.3 249.06 358.8 389 324.1 280 456.7 281 391.11 234.1 381.6 319.7 308.9 318.3 261.5 261 279.3 245.4 191.8 464.19 475.42 475.13 252.1 285.8 391.6 353.88 432.0 433.99 428.58 356.13 407 451.6 422 322.5 413.57 403.72 317.4 240.34 442 469.0
Tc/K 586 609.6 612.5 609.2 592.0 410.34 400.6 369.5 460.4 432 633.8 615.9 620.1 427 614 599 416.25 509.1 528 500 517.8 643 410.6 570.81 353.2 571.2 503 484 514 399.9 395.65 425.01 379 302 697.6 705.8 704.6 400 460.0 604.2 553.8 684 647.1 665 560.4 626.8 682 647.2 511.7 619.5 624 506.5 398.0 615 702.3
Pc/MPa
4.048 4.46 5.035 5.3 5.67
Vc/cm3molâ&#x20AC;&#x201C;1
226 197 164 179
5.70
6.679
139
2.878 3.238 3.229
376 252
4.58
3.72 3.643 4.05 3.870 4.17 4.36 4.07 6.0 4.98 3.82 4.08
244 244 228 212 180
210 353 308 401
4.401 4.6
3.34 3.56 4.51 4.9 4.60 4.80 5.54 3.20
410 260
245 162
Ref. 13 13 13 13 13 19,32,65 49 18 49 12 13 13 13 37 13 13 49 13 13 13 49 13 49 49 49 13 49 13 49 49 42 40 49 49 7 7 7 9,49 49 5 5,58,59 8 11,12 7 6 9,59 21 5,59 5 4 7 6 5 49 49
Critical Constants
6-46 Name
trans-Decahydronaphthalene Decanal Decane 1,10-Decanediamine Decanedioic acid Decanoic acid 1-Decanol 2-Decanol 3-Decanol 4-Decanol 5-Decanol 2-Decanone 3-Decanone 4-Decanone 5-Decanone 1-Decene Decylbenzene Diallyl sulfide Dibenzofuran Dibenzothiophene 1,2-Dibromo-1-chloro-1,2,2-trifluoroethane Dibromodifluoromethane [R-12B2] 1,2-Dibromoethane 1,4-Dibromooctafluorobutane 1,2-Dibromotetrafluoroethane [R-114B2] Dibutylamine Dibutyl disulfide Dibutyl ether Di-tert-butyl ether Dibutyl phthalate Dibutyl sulfide m-Dichlorobenzene Dichlorodifluoromethane [R-12] Dichlorodimethylsilane 1,1-Dichloroethane [R-150a] 1,2-Dichloroethane [R-150] cis-1,2-Dichloroethene trans-1,2-Dichloroethene [R-1130] 1,1-Dichloro-1-fluoroethane [R-141b] Dichlorofluoromethane [R-21] 1,2-Dichloro-1,2,3,3,4,4-hexafluorocyclobutane [R-C316] 1,3-Dichloro-1,1,2,2,3,3-hexafluoropropane [R-216ca] Dichloromethane [R-30] 1,2-Dichloropropane 1,3-Dichloropropane 1,2-Dichloro-3,4,5,6-tetrafluorobenzene 1,1-Dichloro-1,2,2,2-tetrafluoroethane [R-114a] 1,2-Dichloro-1,1,2,2-tetrafluoroethane [R-114] 1,2-Dichloro-1,1,2-trifluoroethane [R-123a] 2,2-Dichloro-1,1,1-trifluoroethane [R-123] Didecyl phthalate 1,1-Diethoxyethane 1,2-Diethoxyethane Diethoxymethane 2,2-Diethoxypropane
Mol Form. C10H18 C10H20O C10H22 C10H24N2 C10H18O4 C10H20O2 C10H22O C10H22O C10H22O C10H22O C10H22O C10H20O C10H20O C10H20O C10H20O C10H20 C16H26 C6H10S C12H8O C12H8S C2Br2ClF3 CBr2F2 C2H4Br2 C4Br2F8 C2Br2F4 C8H19N C8H18S2 C8H18O C8H18O C16H22O4 C8H18S C6H4Cl2 CCl2F2 C2H6Cl2Si C2H4Cl2 C2H4Cl2 C2H2Cl2 C2H2Cl2 C2H3Cl2F CHCl2F C4Cl2F6 C3Cl2F6 CH2Cl2 C3H6Cl2 C3H6Cl2 C6Cl2F4 C2Cl2F4 C2Cl2F4 C2HCl2F3 C2HCl2F3 C28H46O4 C6H14O2 C6H14O2 C5H12O2 C7H16O2
Tb/K 460.5 481.7 447.30 627.0 541.9 504.3 484 486 483.7 474 483 476 479.7 477 443.7 566 411.8 560 605.7 366 295.91 404.8 370 320.50 432.8 499 413.43 380.38 613 458 446 243.4 343.5 330.5 356.7 333.3 321.9 305.2 282.1 332.7 308.9 313 369.6 394.1 430.9 276.6 276.7 302.7 300.97 375.40 394.4 361 387
Tc/K 687.1 674 617.7 736 845 722 687.3 668.6 666.1 663.7 663.2 671.8 667.6 662.9 661.0 617 752 653 824 897 560.7 471.3 583.0 532.5 487.8 607.5 711 584 550 797 650 685.7 384.95 520.4 523 561 544.2 516.5 477.5 451.58 497* 453 510 578.5 614.6 626 418.6 418.78 461.6 456.83 870 540 542 531.7 510.7
Pc/MPa 2.60 2.11 2.43 2.50 2.10 2.315
2.22 1.72 3.64 3.86 3.61 4.45 7.2 2.39 3.393 3.11 2.5 3.0
Vc/cm3molâ&#x20AC;&#x201C;1 599 624
638 649 646 643 643 646 625 628 628 628 584
495 512 368
341
1.66 2.48 4.136 3.49 5.07 5.4 5.51 4.194 5.18 2.73* 2.753 6.10
5.32 3.30 3.252 3.661 0.94 3.22
217 350 236 225
255 196 386*
294 297 278 278
Ref. 49 7 2,54 9,56 57 7 4 4 4 4 4 7 7 7 7 6 16 8 7 8 49 49 49 49 49 9,59 82 7 49 51 8 13 49 49 49 49 49 49 26,42 49 12 41 49 13 13 49 49 42 19 35 51 7 7 7 7
Critical Constants
6-47 Name
Diethylamine p-Diethylbenzene Diethyl disulfide Diethylene glycol Diethylene glycol diethyl ether Diethylene glycol dimethyl ether Diethylene glycol monobutyl ether acetate Diethylene glycol monobutyl ether Diethylene glycol monoethyl ether Diethylene glycol monoethyl ether acetate Diethylene glycol monomethyl ether Diethylene glycol monopropyl ether Diethyl ether Diethyl oxalate Diethyl phthalate Diethyl succinate Diethyl sulfide o-Difluorobenzene m-Difluorobenzene p-Difluorobenzene 1,1-Difluoroethane [R-152a] 1,1-Difluoroethene [R-1132a] 2,2-Difluoroethylbis(trifluoromethyl)amine Difluoromethane [R-32] 3-Difluoromethoxy-1,1,1,2,2-pentafluoropropane 3-Difluoromethoxy-1,1,2,2-tetrafluoropropane 2-(Difluoromethoxy)-1,1,1-trifluoroethane Difluoromethyl 2,2,2-trifluoroethyl ether [HFE-245mf ] 2,4-Difluorotoluene 2,5-Difluorotoluene 2,6-Difluorotoluene 3,4-Difluorotoluene Diheptyl phthalate Dihexyl phthalate 3,4-Dihydro-2H-pyran Diisobutylamine Diisopentyl sulfide Diisopropylamine 1,4-Diisopropylbenzene 1,4-Diisopropylbenzene Diisopropyl ether 1,2-Dimethoxyethane Dimethoxymethane 1,2-Dimethoxypropane 2,2-Dimethoxypropane Dimethylamine N,N-Dimethylaniline 2,2-Dimethylbutane 2,3-Dimethylbutane 3,3-Dimethyl-2-butanone 2,3-Dimethyl-1-butene 3,3-Dimethyl-1-butene 2,3-Dimethyl-2-butene Dimethyl carbonate cis-1,2-Dimethylcyclohexane
Mol Form. C4H11N C10H14 C4H10S2 C4H10O3 C8H18O3 C6H14O3 C10H20O4 C8H18O3 C6H14O3 C8H16O4 C5H12O3 C7H16O3 C4H10O C6H10O4 C12H14O4 C8H14O4 C4H10S C6H4F2 C6H4F2 C6H4F2 C2H4F2 C2H2F2 C4H3F8N CH2F2 C4H3F7O C4H4F6O C3H3F5O C3H3F5O C7H6F2 C7H6F2 C7H6F2 C7H6F2 C22H34O4 C20H30O4 C5H8O C8H19N C10H22S C6H15N C12H18 C12H18 C6H14O C4H10O2 C3H8O2 C5H12O2 C5H12O2 C2H7N C8H11N C6H14 C6H14 C6H12O C6H12 C6H12 C6H12 C3H6O3 C8H16
Tb/K 328.7 456.9 427.2 519.0 461 435 518 504 469 491.7 466 486 307.7 458.9 568 490.9 365.3 367 355.8 362 249.10 187.5 324.50 221.6 319.09 348.6 302.15 302.39 390 391 385 385 633 359 412.8 484 357.1 483.5 483.5 341.6 357.7 315 369 356 280.03 467.30 322.88 331.08 379.3 328.8 314.4 346.5 363.7 403.0
Tc/K 499.7 657.9 642 750 612 617 693.9 692 670 673.5 672 680 466.7 645.8 776 663 557.8 566.0 548.4 556.9 386.7 302.9 460.20 351.56 455.10 505.35 445 443.99 581.4 587.8 581.8 598.5 830 817 562 584.4 664 523.1 675 676.2 500.3 540 491 543.0 510 437.2 688 489.0 500.0 570.9 497.7 477.4 521.0 557 606
Pc/MPa 3.754 2.803 4.7
2.15 2.79 3.167 2.59 3.67 3.00 3.644 3.06 2.26 3.90
4.40 4.50 4.46 2.642 5.83 2.773 3.279 3.46
1.24 1.34 4.56 3.20 3.02 2.33 2.36 2.832 3.90 3.96
5.34 3.6 3.10 3.15 3.43
4.80 2.95
Vc/cm3molâ&#x20AC;&#x201C;1 Ref. 304 9,49 3 8 7 7 7 17 7 11,12 17 11,12 489 7 281 7 82 51 7 317.6 8,15 13 13 13,49 179 19,49 154 49 61 123 42 65 65 65 38 13 13 13 13 51 51 268 7 9,49 8 9,49 617 77 82 386 7 308 7 213 7 7 7 9,49 9,49 358 5 361 5 382 7 59 59 59 252 7 21
Critical Constants
6-48 Name trans-1,2-Dimethylcyclohexane cis-1,3-Dimethylcyclohexane trans-1,3-Dimethylcyclohexane trans-1,4-Dimethylcyclohexane 1,1-Dimethylcyclopentane cis-1,2-Dimethylcyclopentane trans-1,2-Dimethylcyclopentane cis-1,3-Dimethylcyclopentane trans-1,3-Dimethylcyclopentane Dimethyl disulfide Dimethyl ether N,N-Dimethylformamide 2,2-Dimethylheptane 2,2-Dimethylhexane 2,3-Dimethylhexane 2,4-Dimethylhexane 2,5-Dimethylhexane 3,3-Dimethylhexane 3,4-Dimethylhexane Dimethyl malonate 2,7-Dimethylnaphthalene 2,2-Dimethyloxirane 2,2-Dimethylpentane 2,3-Dimethylpentane 2,4-Dimethylpentane 3,3-Dimethylpentane 2,3-Dimethyl-1-pentene 4,4-Dimethyl-1-pentene Dimethyl phthalate 2,3-Dimethylpyridine 2,4-Dimethylpyridine 2,5-Dimethylpyridine 2,6-Dimethylpyridine 3,4-Dimethylpyridine 3,5-Dimethylpyridine Dimethyl sulfide 1,3-Dimethyltricyclo[3.3.1.13,7]decane Dinonyl phthalate Dioctyl phthalate 1,4-Dioxane Dipentyl phthalate Diphenyl ether Diphenylmethane Dipropylamine Dipropylene glycol Dipropyl ether Dipropyl phthalate Diundecyl phthalate Docosane Docosanoic acid 1-Docosanol Dodecane 1,12-Dodecanediamine Dodecanedioic acid 1-Dodecanethiol
Mol Form. C8H16 C8H16 C8H16 C8H16 C7H14 C7H14 C7H14 C7H14 C7H14 C2H6S2 C2H6O C3H7NO C9H20 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C5H8O4 C12H12 C4H8O C7H16 C7H16 C7H16 C7H16 C7H14 C7H14 C10H10O4 C7H9N C7H9N C7H9N C7H9N C7H9N C7H9N C2H6S C12H20 C26H42O4 C24H38O4 C4H8O2 C18H26O4 C12H10O C13H12 C6H15N C6H14O3 C6H14O C14H18O4 C30H50O4 C22H46 C22H44O2 C22H46O C12H26 C12H28N2 C12H22O4 C12H26S
Tb/K 396.7 393.3 397.7 392.6 360.7 372.7 365.1 364.0 364.9 382.89 248.4 426 405.9 380.01 388.77 382.7 382.27 385.12 390.88 454.6 538 325 352.4 362.93 353.64 359.21 357.5 345.7 556.9 434.27 431.53 430.13 417.16 452.25 444.99 310.48 476.53 686 374.7 531.2 538.2 382.5 503.7 363.23 577.7 641.8
489.47
549.9
Tc/K 596 591 598 587.7 547 565 553 551 553 607.8 400.378 649.6 576.7 549.8 563.5 553.5 550.0 562.0 568.8 647 775 499.9 520.5 537.3 519.8 536.4 533.6 516 772 655.5 647 644.3 624.0 683.7 667.7 503 704 858 840 588 811 767 760 555.8 705.2 530.6 784 886 786 837 827 658 767 859 733.7
Pc/MPa 2.94 2.94 2.94 3.45 3.45 3.45 3.45 3.45 5.07 5.356 2.35 2.53 2.63 2.56 2.49 2.65 2.69 3.60 3.23 4.35 2.77 2.91 2.74 2.95
2.77 4.10 3.95 3.85 3.85 4.20 4.05 5.53 2.75 1.02 1.08 5.21 1.43 2.71 3.63 3.38 3.028 1.90 0.89 0.98 1.11 1.07 1.82 2.01 2.15 1.81
Vc/cm3molâ&#x20AC;&#x201C;1
169 262 478 468 472 482 443 466 377 601 416 393 418 414
356 361 361 361 355 361 203.7 566
238
563
754
Ref. 21 21 21 5 21 21 21 21 21 8,81 7,62,67 49 5 5 5 5 5 5 5 77 3 82 5 5 5 5 59 59 51 9,23 9,23 9,23 9,23 9,23 9,23 8 69 51 51 7 51 7 3 9,59 82 7 51 51 2 48 80 2 9,56 57 60
Critical Constants
6-49 Name
Dodecanoic acid 1-Dodecanol 2-Dodecanone 3-Dodecanone 4-Dodecanone 5-Dodecanone 6-Dodecanone 1-Dodecene Eicosane Eicosanoic acid 1-Eicosanol Ethane 1,2-Ethanediamine 1,2-Ethanediol 1,1-Ethanediol, diacetate Ethanethiol Ethanol Ethoxybenzene 2-Ethoxyethyl acetate 2-Ethoxy-2-methylbutane 4-Ethoxy-1,1,1,2,2,3,3,4,4-nonafluorobutane Ethyl acetate Ethylamine N-Ethylaniline Ethylbenzene Ethyl butanoate Ethyl trans-2-butenoate Ethylcyclohexane Ethylcyclopentane Ethyl 2,2-dimethylpropanoate Ethylene Ethyl 3-ethoxypropanoate Ethyl formate Ethyl heptanoate 3-Ethylhexane Ethyl hexanoate 2-Ethylhexanoic acid 2-Ethyl-1-hexanol 2-Ethylhexyl acetate Ethyl 3-methylbutanoate Ethyl methyl ether 3-Ethyl-2-methylpentane 3-Ethyl-3-methylpentane Ethyl 2-methylpropanoate Ethyl methyl sulfide Ethyl nonanoate Ethyl octanoate 3-Ethylpentane Ethyl pentanoate 2-Ethylphenol 3-Ethylphenol 4-Ethylphenol Ethyl propanoate Ethyl propyl ether S-Ethyl thioacetate
Mol Form. C12H24O2 C12H26O C12H24O C12H24O C12H24O C12H24O C12H24O C12H24 C20H42 C20H40O2 C20H42O C2H6 C2H8N2 C2H6O2 C6H10O4 C2H6S C2H6O C8H10O C6H12O3 C7H16O C6H5F9O C4H8O2 C2H7N C8H11N C8H10 C6H12O2 C6H10O2 C8H16 C7H14 C7H14O2 C2H4 C7H14O3 C3H6O2 C9H18O2 C8H18 C8H16O2 C8H16O2 C8H18O C10H20O2 C7H14O2 C3H8O C8H18 C8H18 C6H12O2 C3H8S C11H22O2 C10H20O2 C7H16 C7H14O2 C8H10O C8H10O C8H10O C5H10O2 C5H12O C4H8OS
Tb/K 533 519.7
487.0 616 601 629 184.6 390 470.5 442 308.2 351.44 442.96 429.6 374.6 350.04 350.26 289.7 476.2 409.34 394.5 411 405.1 376.7 391.6 169.38 439 327.6 460 391.8 440 501 457.8 472 408.2 280.6 388.81 391.42 383.3 339.9 500.2 481.7 366.7 419.3 477.7 491.6 491.1 372.3 336.36 389.6
Tc/K 743 719.4 702 701 697 695 694 658 768 820 809 305.32 613.1 720 618.2 499 514.0 647 608.0 546 482.02 523.3 456 700 617.15 568.8 599 606.9 569.5 566 282.34 621.0 508.54 634 565.5 615.2 674 640.6 642 582.4 437.9 567.1 576.5 554 533 664 649 540.6 593.3 703.0 716.4 716.4 546.7 500.2 590.55
Pc/MPa 1.93 1.994
Vc/cm3molâ&#x20AC;&#x201C;1
752 752 759 759 762 1.93 1.07 1.20 1.30 4.872 6.71 8 2.97 5.49 6.137 3.4 3.17 2.935 1.976 3.87 5.6
145.5
207 168 441 463 286 180
3.609 3.1
374 415
3.25 3.40 2.95 5.041 2.66 4.74
375 465 131 458 229
2.61
455
2.78 2.8 2.09
528
4.38 2.70 2.81 3.1 4.25
222 442 455 415
2.89
416
3.45 3.370 4.075
342 339 319
681
Ref. 48 4 7 7 7 7 7 6 3 48 49 2 9,11,12 7,14 82 8 4 7 7,23 7 65 7 9,49 9,49 3,15 7 7 21,58,59 5 79 6 7 7 7 5 7 7 4 7 7 7 5 5 7 8 7 7 5 7 7 7 7 7 7 11,12
Critical Constants
6-50 Name
2-Ethyltoluene 3-Ethyltoluene 4-Ethyltoluene Ethyl vinyl ether Fluorobenzene Fluoroethane [R-161] Fluoroethene [R-1141] Fluoromethane [R-41] 2-Fluorotoluene 3-Fluorotoluene 4-Fluorotoluene Formic acid Furan Furfural Glycerol Heneicosane Heptadecane Heptadecanoic acid 1-Heptadecanol 2,2,3,3,5,5,6-Heptafluoro-1,4-dioxane 1,1,1,2,2,3,3-Heptafluoropentan-4-one 1,1,1,2,3,3,3-Heptafluoropropane [HFC-227ea] 1,1,1,2,4,4,4-Heptafluoro-2-trifluoromethoxybutane 2,2,4,4,6,8,8-Heptamethylnonane Heptanal 2-Heptanamine Heptane Heptanedioic acid Heptanoic acid 1-Heptanol 2-Heptanol 3-Heptanol 4-Heptanol 2-Heptanone 3-Heptanone 4-Heptanone 1-Heptene cis-2-Heptene trans-2-Heptene trans-3-Heptene Heptylbenzene Hexachloroethane [R-110] Hexadecane Hexadecanoic acid 1-Hexadecanol 1,5-Hexadiene Hexafluoroacetylacetone Hexafluorobenzene Hexafluoroethane [HFC-116] 1,1,1,2,3,3-Hexafluoro-3-(2,2,3,3,3-pentafluoropropoxy)propane 1,1,1,2,3,3-Hexafluoropropane [HFC-236ea] 1,1,1,3,3,3-Hexafluoropropane [HFC-236fa] 1,1,1,2,3,3-Hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane 1,1,1,2,3,3-Hexafluoro-3-(2,2,2-trifluoroethoxy)propane 1,1,1,3,3,3-Hexafluoro-2-trifluoromethyl-2-methoxypropane
Mol Form. C9H12 C9H12 C9H12 C4H8O C6H5F C2H5F C2H3F CH3F C7H7F C7H7F C7H7F CH2O2 C4H4O C5H4O2 C3H8O3 C21H44 C17H36 C17H34O2 C17H36O C4HF7O2 C5H3F7O C3HF7 C5H2F10O C16H34 C7H14O C7H17N C7H16 C7H12O4 C7H14O2 C7H16O C7H16O C7H16O C7H16O C7H14O C7H14O C7H14O C7H14 C7H14 C7H14 C7H14 C13H20 C2Cl6 C16H34 C16H32O2 C16H34O C6H10 C5H2F6O2 C6F6 C2F6 C6H3F11O C3H2F6 C3H2F6 C6H4F10O C5H3F9O C5H3F9O
Tb/K 438.4 434.5 435 308.7 357.88 235.5 201 194.8 388 388 389.8 374 304.7 434.9 563 629.7 575.2 597 312.72 337.40 257.65 322.72 519.5 426.0 415 371.6 615.1 495.4 449.60 432 430 429 424.20 420 417 366.79 371.6 371 368.9 513 457.85 s 560.01 624.7 585 332.6 327.30 353.41 195.1 360.64 277.65 272.2 379.07 345.87 326.50
Tc/K 651 637 640.2 475 560.09 375.31 327.9 317.28 591.2 591.8 592.1 588 490.2 670* 850 778 736 792 780 452.88 476.55 375.00 447.40 692 617 598.0 540.2 842 678 632.6 608.3 605.4 602.6 611.4 606.6 602.0 537.3 548.5 542.8 538.6 708 695 723 785 770 508 485.1 516.73 293.03 486.48 412.41 398.07 516.2 475.74 462.72
Pc/MPa 3.38 3.25 3.23 4.07 4.551 5.028 5.24 5.897
5.3 5.89* 7.5 1.03 1.34 1.37 1.50 2.866 2.578 2.930 2.140
Vc/cm3molâ&#x20AC;&#x201C;1
269 144 108
218
1103
284
3.16
434
2.74 3.28 3.16 3.058 3.021
428
2.97
2.92
2.14 3.34* 1.40 1.49 1.61 2.767 3.273 3.048 1.950 3.416 2.17 2.233 2.366
435 442 434 432 436 433 434 409
412* 1034
335 222 271
Ref. 21 21 3 7 49 49 49 49,54 13 13 13 7 7 7 7 2 2 48 49 63 61 39,47,66 63 5 7 9,59 2 57 7 4 4 4 4 7 7 7 6 59 59 59 16 12 2 48 49 6 49 49 49,54 65 33,64,66 45 65 65 63
Critical Constants
6-51 Name
Hexamethylbenzene Hexanal Hexane 1,6-Hexanediamine 1,6-Hexanedioic acid 1,6-Hexanediol Hexanenitrile Hexanoic acid 1-Hexanol 2-Hexanol 3-Hexanol 2-Hexanone 3-Hexanone 1-Hexene cis-2-Hexene trans-2-Hexene cis-3-Hexene trans-3-Hexene Hexyl acetate Hexylamine Hexylbenzene Hydrogen cyanide Indan 1H-Indole Iodobenzene Iodomethane Isobutanal Isobutane Isobutene Isobutyl acetate Isobutylamine Isobutylbenzene Isobutyl butanoate Isobutylcyclohexane Isobutyl formate Isobutyl isobutanoate Isobutyl 3-methylbutanoate Isobutyl propanoate Isopentane Isopentyl acetate Isopentyl butanoate Isopentyl formate Isopentyl propanoate Isopropyl acetate Isopropylamine Isopropylbenzene Isopropylcyclohexane Isopropyl formate 1-Isopropyl-4-methylbenzene Isopropyl methyl ether Isoquinoline Isoxazole d-Limonene Maleic acid Mesityl oxide
Mol Form. C12H18 C6H12O C6H14 C6H16N2 C6H10O4 C6H14O2 C6H11N C6H12O2 C6H14O C6H14O C6H14O C6H12O C6H12O C6H12 C6H12 C6H12 C6H12 C6H12 C8H16O2 C6H15N C12H18 CHN C9H10 C8H7N C6H5I CH3I C4H8O C4H10 C4H8 C6H12O2 C4H11N C10H14 C8H16O2 C10H20 C5H10O2 C8H16O2 C9H18O2 C7H14O2 C5H12 C7H14O2 C9H18O2 C6H12O2 C8H16O2 C5H10O2 C3H9N C9H12 C9H18 C4H8O2 C10H14 C4H10O C9H7N C3H3NO C10H16 C4H4O4 C6H10O
Tb/K 536.6 404 341.88 477.7 610.5 481 436.80 478.4 430.8 413 408 400.8 396.7 336.63 342.0 341.1 339.6 340.3 444.7 406.0 499.3 299 451.12 526.8 461.6 315.58 337.7 261.42 266.3 389.7 340.90 445.94 430.1 444.5 371.4 421.8 441.7 410 301.03 415.7 452 396.7 433.4 361.8 304.91 425.56 428.0 341.4 450.3 303.92 516.37 368 451 403
Tc/K 758 592 507.6 685 841 740.8 633.8 655 610.3 585.9 582.4 587.1 583.0 504.0 513.4 509.0 510.2 507.4 618.4 592.3 695 457 684.9 794 721 528 544 407.885 418.09 561 519 650 611 642.1 551 602 621 584 460.4 586.1 619 578 611 531.0 472.2 631.0 632.2 535 652 464.4 803 552.0 653 620 605
Pc/MPa 3.46 3.025 3.59 3.85 4.08 3.30 3.38 3.417 3.31 3.36 3.30 3.320 3.21
2.35 5.4 3.95 4.8 4.52
Vc/cm3molâ&#x20AC;&#x201C;1 378 368
413 387 384 383 377 378 355.1
135 356 351
5.1 3.6390 4.010 2.99 4.07 3.05
255.5 239.8 401 278
3.88
355
3.38 2.76
306
3.31 4.55 3.209
344 219
3.95 2.8 3.762
470 4.00
353
Ref. 3 7 2 9,56 57 81 9,49 7 4 4 4 7 7 6 59 59 59 59 7 9,59 16 9,49 3 10 49 49 7 5,52,68 6,72 7 10 4 7 59 7 7 7 7 5 7 7 7 7 7 9,59 3 59 7 3 7 9,10 49 6 7 7
Critical Constants
6-52 Name
Methane Methanethiol Methanol 2-Methoxy-1,4-dimethylbenzene 1-Methoxy-2,4-dimethylbenzene 2-Methoxyethanol 2-Methoxyethyl acetate 4-Methoxy-1,1,1,2,2,3,3-heptafluorobutane 3-Methoxy-1,1,2,2,3,3-hexafluoropropane 2-Methoxy-2-methylbutane 5-Methoxy-1,1,2,2,3,3,4,4-octafluoropentane Methyl acetate Methylamine 2-Methylaniline 3-Methylaniline 4-Methylaniline N-Methylaniline 2-Methylanisole 3-Methylanisole 4-Methylanisole Îą-Methylbenzenemethanol Methyl benzoate 4-Methylbenzonitrile 3-Methyl-1-butanethiol Methyl butanoate 3-Methylbutanoic acid 2-Methyl-1-butanol 3-Methyl-1-butanol 2-Methyl-2-butanol 3-Methyl-2-butanol 3-Methyl-2-butanone 2-Methyl-1-butene 3-Methyl-1-butene 2-Methyl-2-butene Methyl tert-butyl ether 9-Methyl-9H-carbazole Methylcyclohexane Methylcyclopentane 2-Methylcyclopentanone 2-Methyl-N,N-dimethylaniline Methyl dodecanoate Methyl formate 2-Methylfuran 2-Methylheptane 3-Methylheptane 4-Methylheptane Methyl heptanoate 4-Methyl-3-heptanol 5-Methyl-3-heptanol 2-Methyl-3-heptanone 5-Methyl-3-heptanone 2-Methyl-1-heptene 2-Methyl-2-heptene 2-Methylhexane 3-Methylhexane
Mol Form. CH4 CH4S CH4O C9H12O C9H12O C3H8O2 C5H10O3 C5H5F7O C4H4F6O C6H14O C6H6F8O C3H6O2 CH5N C7H9N C7H9N C7H9N C7H9N C8H10O C8H10O C8H10O C8H10O C8H8O2 C8H7N C5H12S C5H10O2 C5H10O2 C5H12O C5H12O C5H12O C5H12O C5H10O C5H10 C5H10 C5H10 C5H12O C13H11N C7H14 C6H12 C6H10O C9H13N C13H26O2 C2H4O2 C5H6O C8H18 C8H18 C8H18 C8H16O2 C8H18O C8H18O C8H16O C8H16O C8H16 C8H16 C7H16 C7H16
Tb/K 111.67 279.1 337.8 467 465 397.3 416 344.13 341.02 359.3 395.83 330.02 266.83 473.5 476.5 473.6 469.4 444 448.7 448.7 478 472 490.2 389 376.0 449.7 400.7 404.3 375.6 386.1 367.48 304.4 293.3 311.71 328.2 616.79 374.08 345.0 412.7 467.3 540 304.9 337.9 390.81 392.1 390.87 447 443 445 431 434 392.5 395.8 363.19 365
Tc/K 190.56 470 512.5 677.3 682 597.6 630.0 481.54 487 535 546.1 506.5 430.8 717 709 667 702 662.0 665.3 666 699 702 723 594 554.5 629 575.4 577.2 543.7 556.1 553.0 467.0 452.7 470 497.1 890 572.1 532.7 631 668 712 487.2 528 559.7 563.6 561.7 628 623.5 621.2 614.9 619.0 567.5 568.9 530.4 535.2
Pc/MPa 4.599 7.23 8.084
5.285 2.381 3.1 3.20 2.5 4.750 7.62 4.7 4.2 2.4 5.2
3.77 4.02
3.47 3.40 3.94 3.93 3.71 3.87 3.80 3.8 3.53 3.42 3.430 3.38 3.48 3.79 3.1 6.00 4.7 2.50 2.55 2.54
2.74 2.81
Vc/cm3molâ&#x20AC;&#x201C;1 Ref. 98.60 2 147 8 117 4 7 7 263 7,11,12 7 65 65 374 7 65 228 7 141 9,49 346 9,49 9,49 9,49 9,49 7 7 7 14 408 76 9,49 8 340 7 7 4 4 4 4 308 7 49,59 304.9 6 6 7 572 10 369 5,58 318 5 7 9,49 7 172 7 247 7 488 5 464 5 476 5 7 4 4 7 7 59 59 421 5 404 5
Critical Constants
6-53 Name
5-Methyl-2-hexanone 2-Methyl-3-hexanone 2-Methyl-1-hexene 5-Methyl-1-hexene N-Methylhexylamine Methylhydrazine Methyl isobutanoate 5-Methyl-2-isopropylcyclohexanol 1-Methylnaphthalene 2-Methylnaphthalene 2-Methyloctane Methyloxirane Methyl pentafluoroethyl ether [HFE-245mc] 2-Methylpentane 3-Methylpentane Methyl pentanoate 2-Methyl-1-pentanol 4-Methyl-1-pentanol 2-Methyl-2-pentanol 4-Methyl-2-pentanol 2-Methyl-3-pentanol 3-Methyl-3-pentanol 4-Methyl-2-pentanone 2-Methyl-1-pentene 4-Methyl-1-pentene 2-Methyl-2-pentene 4-Methyl-cis-2-pentene Methyl pentyl ether 2-Methyl-1,3-propanediol Methyl propanoate 2-Methylpropanoic acid 2-Methyl-1-propanol 2-Methyl-2-propanol Methylpropylamine Methyl propyl ether 2-Methylpyrazine 2-Methylpyridine 3-Methylpyridine 4-Methylpyridine 1-Methylpyrrole 2-Methylpyrrole 3-Methylpyrrole N-Methyl-2-pyrrolidinone 2-Methylquinoline 8-Methylquinoline Methyl salicylate Methylsilane 2-Methyltetrahydrofuran (Methylthio)benzene Trichloromethylsilane Methyl trifluoromethyl ether [HFE-143m] 4-Morpholinecarboxaldehyde Naphthalene 1-Naphthylamine 2-Naphthylamine
Mol Form. C7H14O C7H14O C7H14 C7H14 C7H17N CH6N2 C5H10O2 C10H20O C11H10 C11H10 C9H20 C3H6O C3H3F5O C6H14 C6H14 C6H12O2 C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H12O C6H12 C6H12 C6H12 C6H12 C6H14O C4H10O2 C4H8O2 C4H8O2 C4H10O C4H10O C4H11N C4H10O C5H6N2 C6H7N C6H7N C6H7N C5H7N C5H7N C5H7N C5H9NO C10H9N C10H9N C8H8O3 CH6Si C5H10O C7H8S CH3Cl3Si C2H3F3O C5H9NO2 C10H8 C10H9N C10H9N
Tb/K 417 408 365 358.5 360.7 365.7 489 517.9 514.3 416.4 308 278.74 333.41 336.42 400.6 422 425.1 394.3 404.8 399.7 395.6 389.7 335.3 327.1 340.5 329.5 372 484.8 353.0 427.60 381.04 355.6 336 312.3 410 402.53 417.29 418.51 385.96 420.8 416.1 475 519.7 520.7 496.1 215.7 351 467.5 338.8 249.15 512 491.1 573.9 579.4
Tc/K 604.1 593.3 541.8 528.7 592 567 540.7 694 772 761 582.8 485 406.80 497.7 504.6 590 604.4 603.5 559.5 574.4 576.0 575.6 574.6 521.0 493.1 509.3 496.3 546.5 708.0 530.7 605.0 547.8 506.2 550 476.2 634 621 644.6 646.0 596.0 654 647 721.8 778 787 709 352.4 537 705.9 517 377.92 779.3 748.4 850 850
Pc/MPa
8.24 3.43
Vc/cm3molâ&#x20AC;&#x201C;1
271 339
3.60 2.31 5.2 2.887 3.04 3.12 3.20 3.45
190 301 368 368 422
3.46 3.52 3.270
3.042 5.35 4.00 3.70 4.295 3.972 3.1 3.801 5.01 4.62 4.65 4.67 4.86 5.08 5.08 4.0 4.3
3.76 4.05 3.28 3.640 5.08 4.05 5.0 4.9
391 282 290 274 275
285 300 300 300 271 266 266 311 447 434
267 348 218 407 438 438
Ref. 7 7 59 59 9,59 49 7 49 3 3 5 7 32,64 5 5 7 4 4 4 4 4 4 7 59 59 59 59 7 17 7 7 4 4 9 7 9,49 9,10 9,10 9,10 10 10 10 49 9 9 7 8 7 60 49 47,66 82 3,60 10 10
Critical Constants
6-54 Name
Neopentane Nitromethane Nonadecane 1,1,1,2,2,3,3,4,4-Nonafluorohexan-5-one Nonanal Nonane 1,9-Nonanediamine Nonanedioic acid Nonanoic acid 1-Nonanol 2-Nonanol 3-Nonanol 4-Nonanol 2-Nonanone 3-Nonanone 4-Nonanone 5-Nonanone 1-Nonene Octadecane 1-Octadecanol Octanal Octane 1,8-Octanediamine Octanedioic acid Octanenitrile 1-Octanethiol Octanoic acid 1-Octanol 2-Octanol 3-Octanol 4-Octanol 2-Octanone 3-Octanone 4-Octanone 1-Octene trans-2-Octene trans-4-Octene Octylamine Octylbenzene Oxazole Oxirane Paraldehyde 1H-Pentadecafluoroheptane Pentadecane Pentadecanoic acid 1-Pentadecanol Pentafluorobenzene 3,3,4,4,4-Pentafluorobutan-2-one Pentafluoroethane [HFC-125] 1,1,1,2,2-Pentafluoropentan-3-one Pentafluorophenol 1,1,1,2,2-Pentafluoropropane [R-245cb] 1,1,2,2,3-Pentafluoropropane [HFC-245ca] 1,1,1,3,3-Pentafluoropropane [HFC-245fa] 1,1,1,2,2-Pentafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane
Mol Form. C5H12 CH3NO2 C19H40 C6H3F9O C9H18O C9H20 C9H22N2 C9H16O4 C9H18O2 C9H20O C9H20O C9H20O C9H20O C9H18O C9H18O C9H18O C9H18O C9H18 C18H38 C18H38O C8H16O C8H18 C8H20N2 C8H14O4 C8H15N C8H18S C8H16O2 C8H18O C8H18O C8H18O C8H18O C8H16O C8H16O C8H16O C8H16 C8H16 C8H16 C8H19N C14H22 C3H3NO C2H4O C6H12O3 C7HF15 C15H32 C15H30O2 C15H32O C6HF5 C4H3F5O C2HF5 C5H5F5O C6HF5O C3H3F5 C3H3F5 C3H3F5 C5H3F9O
Tb/K 282.63 374.34 603.1 360.47 464 423.97 531.8 630.2 527.7 486.52 466.7 468 465.7 468.5 463 460.7 461.60 420.1 589.5 608 444 398.82 498.7 618.6 478.40 472.3 512 468.31 452.5 444 449.5 445.7 440.7 436 394.44 398 395.5 452.8 537 342.7 283.8 397.5 369.2 543.8 573 358.89 314.37 224.65 335.24 418.8 255.8 298.2 288.5 343.4
Tc/K 433.74 588 755 498.97 659 594.55 726 844 712 670.7 649.6 648.0 645.1 652.2 648.1 643.7 641.4 594.0 747 790 639 568.7 712 843 674.4 667 693 652.5 629.6 628.5 625.1 632.7 627.7 623.8 567.0 569.8 566.3 641 725 550.8 469 563 495.8 708 777 757 530.97 453.03 339.20 475.54 609 380.11 447.57 427.16 473.01
Pc/MPa 3.196 5.87 1.16 2.198 2.68 2.281 2.63 2.72 2.35 2.528 2.53
2.48
2.32 1.29 1.44 2.96 2.49 2.80 2.97 2.85 2.87 2.777 2.754
2.68
2.6 1.98 6.77 7.2
1.48 1.57 1.60 3.531 2.912 3.617 2.642 4.0 3.137 3.651 2.244
Vc/cm3molâ&#x20AC;&#x201C;1 Ref. 307 5,54 173 49 3 61 543 7 555 2,54 9,56 57 7 572 4 575 4 577 4 575 4 560 7,11,12 560 7 560 7 560 7 526 6 1189 2 49 488 7 492 2 9,56 57 9,49 504 8 519 7 497 4 519 4 515 4 515 4 497 7 497 7 497 7 468 6 59 59 517 9 16 82 142 7 7 49 966 2 48 80 324 49 63 214 30,64,66 61 348 49 273 49 45 260 45,54 65
Critical Constants
6-55 Name
2,3,4,5,6-Pentafluorotoluene Pentanal Pentane Pentanedioic acid Pentanenitrile Pentanoic acid 1-Pentanol 2-Pentanol 3-Pentanol 2-Pentanone 3-Pentanone 1-Pentene cis-2-Pentene trans-2-Pentene Pentyl acetate Pentylbenzene Pentyl formate 1-Pentyne Perfluoroacetone Perfluorobutane Perfluoro-2-butyltetrahydrofuran Perfluorocyclobutane [R-C318] Perfluorocyclohexane Perfluorocyclohexene Perfluorodecalin Perfluorodecane Perfluorodimethoxymethane Perfluoro-2,3-dimethylbutane Perfluoroethyl ethyl ether Perfluoroethyl 2,2,2-trifluoroethyl ether Perfluoroheptane Perfluoro-1-heptene Perfluorohexane Perfluoro-1-hexene Perfluoroisobutane Perfluoroisopropyl methyl ether [HFE-347mmy] Perfluoromethylcyclohexane Perfluoro-2-methylpentane Perfluoro-3-methylpentane Perfluoronaphthalene Perfluorononane Perfluorooctane Perfluorooxetane Perfluoropentane Perfluoropropane [HFC-218] Perfluoropropyl methyl ether [HFE-347mcc] Perfluorotoluene Phenanthrene Phenanthridine Phenol Phenyl acetate Phenyl isocyanate α-Pinene Piperazine Piperidine
Mol Form. C7H3F5 C5H10O C5H12 C5H8O4 C5H9N C5H10O2 C5H12O C5H12O C5H12O C5H10O C5H10O C5H10 C5H10 C5H10 C7H14O2 C11H16 C6H12O2 C5H8 C3F6O C4F10 C8F16O C4F8 C6F12 C6F10 C10F18 C10F22 C3F8O2 C6F14 C4H5F5O C4H2F8O C7F16 C7F14 C6F14 C6F12 C4F10 C4H3F7O C7F14 C6F14 C6F14 C10F8 C9F20 C8F18 C3F6O C5F12 C3F8 C4H3F7O C7F8 C14H10 C13H9N C6H6O C8H8O2 C7H5NO C10H16 C4H10N2 C5H11N
Tb/K 390.7 376 309.21 576.0 414.5 459.3 411.13 392.5 389.40 375.41 374.9 303.11 310.08 309.49 422.4 478.6 403.6 313.3 245.8 271.3 375.8 267.3 325.95 s 325.2 415 417.4 263 333.0 301.26 301.04 355.7 354.2 330.3 330.2 273 302.49 349.5 330.8 331.6 482 390.76 379.1 244.8 302.4 236.6 307.38 376.70 613 622.1 455.02 469 436 429.4 421.8 379.37
Tc/K 566.52 567 469.7 840 610.3 637.2 588.1 560.3 559.6 561.1 561.4 464.8 475 471 599 675 576 493.5 357.14 386.4 500.2 388.46 457.2 461.8 566 542 372.3 463 431.23 421.68 474.8 478.2 448.77 454.4 395.4 433.30 485.91 455.3 450 673.1 524 502 361.8 420.59 345.1 437.70 534.47 869 895 694.2 685.7 656.9 644 656.3 594.1
Pc/MPa 3.126 3.97 3.370 4.27 3.58 3.63 3.897 3.675 3.683 3.729 3.56 3.69 3.52 2.73 2.58 3.46 2.84 2.323 1.607 2.784 2.43 1.52 1.45 2.333 1.87 2.533 2.330 1.62 1.868
2.553 2.019 1.923 1.69 1.56 1.66 3.03 2.045 2.680 2.481 2.705 3.6 5.93 3.59 4.00 5.42
Vc/cm3mol–1 Ref. 384 49 313 7 311 2 57 9,49 346 7 326 4 329 4 325 4 321 7 331 7 298.4 6 6 49 470 7,23 16 412 7 49 329 49 378 49 588 49 324 49 49 49 49 49 363 18 525 49 366 32 409 32 664 49 49 606 49 49 49 369 32 570 49 532 49 49 49 49 49 272 18,47 473 49 299 49 377 32 428 49 4 548 10 7 17 82 454 6 269 9,81 9,10
Critical Constants
6-56 Name
Propanal Propane 1,3-Propanediamine Propanenitrile 1-Propanethiol Propanoic acid 1-Propanol 2-Propanol Propene 2-Propoxyethanol 1-Propoxy-2-propanol Propyl acetate Propylamine Propylbenzene Propyl butanoate Propylcyclohexane Propylene carbonate 1,2-Propanediol 1,3-Propanediol 1,2-Propylene glycol 1-tert-butyl ether 1-Methoxy-2-propanol 1,2-Propylene glycol monomethyl ether acetate Propyl formate Propyl isobutanoate Propyl 3-methylbutanoate Propyl propanoate Propyne Pyrazine Pyridine Pyrocatechol Pyrrole Pyrrolidine Quinoline Resorcinol Squalene Stearic acid Styrene Succinic acid Sulfolane o-Terphenyl m-Terphenyl p-Terphenyl 1,1,2,2-Tetrachloro-1,2-difluoroethane [R-112] 1,1,2,2-Tetrachloroethane [R-130] Tetrachloroethene Tetrachloromethane [R-10] Tetracosane Tetradecane Tetradecanedioic acid Tetradecanoic acid 1-Tetradecanol 2-Tetradecanone 3-Tetradecanone 4-Tetradecanone 7-Tetradecanone
Mol Form. C3H6O C3H8 C3H10N2 C3H5N C3H8S C3H6O2 C3H8O C3H8O C3H6 C5H12O2 C6H14O2 C5H10O2 C3H9N C9H12 C7H14O2 C9H18 C4H6O3 C3H8O2 C3H8O2 C7H16O2 C4H10O2 C6H12O3 C4H8O2 C7H14O2 C8H16O2 C6H12O2 C3H4 C4H4N2 C5H5N C6H6O2 C4H5N C4H9N C9H7N C6H6O2 C30H50 C18H36O2 C8H8 C4H6O4 C4H8O2S C18H14 C18H14 C18H14 C2Cl4F2 C2H2Cl4 C2Cl4 CCl4 C24H50 C14H30 C14H26O4 C14H28O2 C14H30O C14H28O C14H28O C14H28O C14H28O
Tb/K 321 231.1 413.2 370.29 341.0 414.30 370.4 355.5 225.46 423.0 423 374.69 320.37 432.39 416.2 429 515 460.8 487.6 425.2 392 420 354.1 408.6 429.1 395.7 250.0 388 388.38 518 402.94 359.71 510.31 549.7 694.5 623 418 508.2 560.5 605 636 649 366.0 418.4 394.5 350.0 664.5 526.73
560
Tc/K 505 369.83 632 561.3 537 598.5 536.8 508.3 364.9 615 605.1 549.7 499.2 638.35 593.1 630.8 762.7 676.4 718.2 600.7 579.8 597.8 538.0 579.4 609 570 402.4 627 620.0 800 640 569 782 836 795.9 803 635.2 851 868 857 883 908 551 661.15 620.2 556.6 800 693 862 763 747 728 727 725 723
Pc/MPa 5.26 4.248 5.59 4.26 4.6 4.67 5.169 4.764 4.60 3.65 3.051 3.36 4.74 3.200 2.72 2.86 4.14 5.941 6.55 2.72 4.113 3.01 4.06
3.06 5.63 6.70 5.65 6.24 5.7 5.7 6.24 0.59 1.33 3.87 6.59 6.0 2.99 2.48 2.99
4.516 0.87 1.57 1.90 1.64 1.81
Vc/cm3molâ&#x20AC;&#x201C;1 Ref. 204 7 203 2,67 9,56 246 9,49 286 8 233 7 218 4 222 4 185 6 364 7 14 345 7 9,59 440 3 7 58,59 17 7,14 14,17 60 11,12 432 7 285 7 7 7 7 163.5 6 229 9 247 9,10 81 9,10 245 9,10 9,10 81 15 48 15 57 82 731 3 724 3 729 3 49 49 49 276 49 2 894 2 57 48 49 896 7 896 7 900 7 904 7
Critical Constants
6-57 Name
Tetraethylene glycol Tetraethylsilane 1,2,3,4-Tetrafluorobenzene 1,2,3,5-Tetrafluorobenzene 1,2,4,5-Tetrafluorobenzene 1,1,2,2-Tetrafluoro-2-(2,2-difluoromethoxy)ethane 1,1,1,2-Tetrafluoroethane [HFC-134a] 1,1,2,2-Tetrafluoroethane [HFC-134] Tetrafluoroethene [HFC-1114] 1,2,2,2-Tetrafluoroethyl difluoromethyl ether [HFE-236me] 1,1,2,2-Tetrafluoroethyl 1,1,1-trifluoroethyl ether Tetrafluoromethane [R-14] 1,1,2,2-Tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane 4,4,5,5-Tetrafluoro-2-trifluoromethyl-1,3-dioxolane 3,4,4,4-Tetrafluoro-3-trifluoromethylbutan-2-one Tetrahydrofuran 1,2,3,4-Tetrahydronaphthalene Tetrahydropyran Tetrahydrothiophene 1,2,4,5-Tetraisopropylbenzene 1,2,4,5-Tetramethylbenzene 2,2,3,3-Tetramethylbutane 2,2,3,3-Tetramethylhexane 2,2,5,5-Tetramethylhexane 2,2,3,3-Tetramethylpentane 2,2,3,4-Tetramethylpentane 2,2,4,4-Tetramethylpentane 2,3,3,4-Tetramethylpentane Tetramethylsilane Tetramethylstannane Thiophene Thymol Toluene Triacontane 1,1,1-Trichloroethane [R-140a] 1,1,2-Trichloroethane [R-140] Trichloroethene [R-1120] Trichlorofluoromethane [R-11] Trichloromethane [R-20] 1,3,5-Trichloro-2,4,6-trifluorobenzene 1,1,1-Trichloro-2,2,2-trifluoroethane [R-113a] 1,1,2-Trichloro-1,2,2-trifluoroethane [R-113] Tricosane Tridecane 1-Tridecanol 2-Tridecanone 3-Tridecanone 4-Tridecanone 5-Tridecanone 6-Tridecanone 7-Tridecanone Tridecylbenzene Triethylamine Triethylene glycol Trifluoroacetic acid
Mol Form. C8H18O5 C8H20Si C6H2F4 C6H2F4 C6H2F4 C4H4F6O C2H2F4 C2H2F4 C2F4 C3H2F6O C4H3F7O CF4 C5H4F8O C4HF7O2 C5H3F7O C4H8O C10H12 C5H10O C4H8S C18H30 C10H14 C8H18 C10H22 C10H22 C9H20 C9H20 C9H20 C9H20 C4H12Si C4H12Sn C4H4S C10H14O C7H8 C30H62 C2H3Cl3 C2H3Cl3 C2HCl3 CCl3F CHCl3 C6Cl3F3 C2Cl3F3 C2Cl3F3 C23H48 C13H28 C13H28O C13H26O C13H26O C13H26O C13H26O C13H26O C13H26O C19H32 C6H15N C6H14O4 C2HF3O2
Tb/K 601 427.9 367.5 357.6 363.4 352.13 246.6 253.3 197.3 296.50 329.37 145.2 366.32 304.98 328.78 338 480.8 361 394.3 532 470.0 379.60 433.5 410.6 413.4 406.2 395.44 414.7 299.8 351 357.2 505.7 383.78 725.1 347.24 387.0 360.36 296.9 334.32 471.6 318.7 320.9 653 508.62 547 536
534 619 362 558 346
Tc/K 800 605 550.83 535.25 543.35 501.08 374.13 391.74 306.5 428.95 463.89 227.6 510.07 435.06 467.64 540.5 720 572 632 703 676 567.8 623.0 581.4 607.5 592.6 574.6 607.5 448.6 521.8 580 698 591.80 842 545 602* 544.2 471.1 536.4 684.8 482.9 487.3 790 675 734 717 716 712 710 709 708 790 535.6 780 491.3
Pc/MPa 3.2 2.50 3.791 3.747 3.801 3.090 4.053 4.615 3.94 3.050 2.713 3.74 2.581 2.645 2.522 5.19 3.65 4.77 5.4 1.60 2.9 2.87 2.51 2.19 2.74 2.60 2.49 2.72 2.821 2.981 5.70 4.110 0.64 4.30 4.48* 5.02 4.47 5.47 3.27 3.42 0.92 1.68 1.935
Vc/cm3molâ&#x20AC;&#x201C;1 587 313
201 191 172 315 140
224 408 263 913 461
361.6 219 316
281* 247 239 448 325 823 820 823 823 826 826 830
1.54 3.03 3.3 3.258
389 204
Ref. 7 8 49 49 49 65 36,64,66 19,42 49 32 65 49 65 63 63 7 4 7 8 77 3 49 5 5 5 5 5 5 8 8 8 7 3,15 60 49 12 49 18 49 49 40 49 2 2 49 7 7 7 7 7 7 16 9,49 7 49
Critical Constants
6-58 Name
Trifluoroacetonitrile 1,2,3-Trifluorobenzene 1,2,4-Trifluorobenzene 1,3,5-Trifluorobenzene 1,1,1-Trifluoroethane [R-143a] 1,1,2-Trifluoroethane [R-143] 2,2,2-Trifluoroethyl methyl ether [HFE-143a] Trifluoroiodomethane Trifluoromethane [R-23] Trifluoromethyl difluoromethyl ether [HFE-125] Trifluoromethyl 1,1,2,2-tetrafluoroethyl ether [HFE-227ca2] 3,3,3-Trifluoropropene Trimethylamine 1,2,3-Trimethylbenzene 1,2,4-Trimethylbenzene 1,3,5-Trimethylbenzene Trimethyl borate 2,2,3-Trimethylbutane Trimethylchlorosilane 1α,3α,5β-1,3,5-Trimethylcyclohexane 3,3,5-Trimethylheptane 2,2,5-Trimethylhexane 2,2,3-Trimethylpentane 2,2,4-Trimethylpentane 2,3,3-Trimethylpentane 2,3,4-Trimethylpentane Tripropylamine Undecafluorocyclohexane Undecane Undecanoic acid 1-Undecanol 2-Undecanone 3-Undecanone 4-Undecanone 5-Undecanone 6-Undecanone Undecylbenzene Vinyl acetate o-Xylene m-Xylene p-Xylene 2,3-Xylenol 2,4-Xylenol 2,5-Xylenol 2,6-Xylenol 3,4-Xylenol 3,5-Xylenol
Mol Form. C2F3N C6H3F3 C6H3F3 C6H3F3 C2H3F3 C2H3F3 C3H5F3O CF3I CHF3 C2HF5O C3HF7O C3H3F3 C3H9N C9H12 C9H12 C9H12 C3H9BO3 C7H16 C3H9ClSi C9H18 C10H22 C9H20 C8H18 C8H18 C8H18 C8H18 C9H21N C6HF11 C11H24 C11H22O2 C11H24O C11H22O C11H22O C11H22O C11H22O C11H22O C17H28 C4H6O2 C8H10 C8H10 C8H10 C8H10O C8H10O C8H10O C8H10O C8H10O C8H10O
Tb/K 204.4 368 363 348.7 225.90 276.9 304.77 250.7 191.1 235 270 256 276.02 449.27 442.53 437.89 340.7 354.01 333 413.7 428.9 397.24 383 372.37 388.0 386.7 429 335.2 469.1 553 518 504.7 500 500 501 589 346.0 417.7 412.27 411.52 490.1 484.13 484.3 474.22 500 494.89
Tc/K 311.11 560.3 551.1 530.9 345.86 429.8 448.98 396.44 298.98 354.0 387.78 376.2 433 664.5 649.1 637.3 501.7 531.1 497.8 602.2 609.5 569.8 563.5 543.8 573.5 566.4 637.9 477.7 639 728 703.6 688 685 681 679 678 763 519.2 630.3 617.0 616.2 722.8 707.6 706.9 701.0 729.8 715.6
Pc/MPa 3.618
3.764 5.241 3.513 3.953 4.82 3.33 2.293 3.80 4.08 3.454 3.232 3.127 3.59 2.95 3.20 2.32 2.73 2.57 2.82 2.73
1.98 2.13 2.147
1.64 4.185 3.732 3.541 3.511
Vc/cm3mol–1 Ref. 202 49 13 13 13 194 27,28 207 40 277 32 226 24 135 42,78 192 25,45,46 337 18,47 211 49 257 9,49 3 3 3 49 398 5 366 49 5 5 5 436 5 468 5 455 5 461 5 9 49 689 2 48 718 4 692 7 692 7 692 7 692 7 692 7 16 7 370 3 375 3 378 3 7 7 7 7 7 7
SUBLIMATION PRESSURE OF SOLIDS This table gives the sublimation (vapor) pressure of some representative solids as a function of temperature. Entries include simple inorganic and organic substances in their solid phase below room temperature, as well as polycyclic organic compounds which show measurable sublimation pressure only at elevated temperatures. Substances are listed by molecular formula in the Hill order. Values marked by * represent the solid–liquid–gas triple point. Note that some pressure values are in pascals (Pa) and others are in kilopascals (kPa). For conversion, 1 kPa = 7.506 mmHg = 0.0098692 atm. Ar Argon BrH Hydrogen bromide Br2 Bromine ClH Hydrogen chloride Cl2 Chlorine F4Si Tetrafluorosilane F6S Sulfur hexafluoride HI Hydrogen iodide H2O Water H2S Hydrogen sulfide H3N Ammonia I2 Iodine Kr Krypton NO Nitric oxide Xe Xenon CHN Hydrogen cyanide CH4 Methane CO Carbon monoxide CO2 Carbon dioxide C2Cl6 Hexachloroethane C2H2 Acetylene C2H4O2 Acetic acid C5H12 Neopentane
T/K p/kPa T/K p/kPa T/K p/Pa T/K p/kPa T/K p/Pa T/K p/kPa T/K p/kPa T/K p/kPa T/K p/Pa T/K p/kPa T/K p/kPa T/K p/Pa T/K p/kPa T/K p/kPa T/K p/kPa T/K p/kPa T/K p/kPa T/K p/kPa T/K p/kPa T/K p/Pa T/K p/kPa T/K p/kPa T/K p/kPa
55 0.2 135 0.1 170 0.069 120 0.1 120 0.144 130 0.2 150 0.4 160 0.2 190 0.032 140 0.2 160 0.1 240 0.081 80 0.4 85 0.1 110 0.3 200 0.2 65 0.1 50 0.1 130 0.032 275 0.004 130 0.2 250 0.092 200 0.7
60 0.8 140 0.3 180 0.416 130 0.5 130 1.52 140 0.9 165 2.6 170 0.8 210 0.702 150 0.6 170 0.4 250 0.297 90 2.7 90 0.4 120 1.5 210 0.4 70 0.3 55 0.6 140 0.187 300 0.056 140 0.7 260 0.199 210 1.6
References 1. Lide, D. R. and Kehiaian, H. V., CRC Handbook of Thermophysical and Thermochemical Data, CRC Press, Boca Raton, FL, 1994. 2. TRC Thermodynamic Tables, Thermodynamic Research Center, Texas A&M University, College Station, TX. 3. Oja, V. and Suuberg, E. M., J. Chem. Eng. Data, 43, 486, 1998.
65 2.8 150 1.1 190 2.04 140 1.9 140 11.2 150 3.9 180 11.3 180 2.2 225 4.942 160 1.9 180 1.2 260 0.971 95 6.0 95 1.3 130 4.9 220 1.0 75 0.8 60 2.6 155 1.674 325 0.383 150 2.6 270 0.406 220 3.6
70 7.7 160 3.3 200 8.45 150 5.8 150 63.1 160 14.0 190 25.9 190 5.3 240 27.28 165 3.2 190 3.5 270 2.89 100 12.1 100 3.8 140 14.0 230 2.2 80 2.1 65 8.2 170 9.987 350 1.62 160 7.8 280 0.79 230 7.3
75 18.7 170 8.7 210 30.3 155 9.5 160 283 170 43.8 200 54.5 200 11.7 250 76.04 170 5.2 195 5.8 280 7.92 105 22.8 105 10.0 150 34.2 240 4.8 85 4.9 68.13* 15.4* 185 44.02 375 5.30 170 20.6 289.7* 1.29* 240 13.9
80 40.7 180 20.1 220 96.0 159.0* 13.5* 170* 1054* 175 74.2 210 106.1 210 23.6 260 195.8 175 8.3 195.4* 6.12* 290 20.1 110 40.4 109.5* 21.9* 155 51.1 250 9.7 90.69* 11.70*
83.81* 68.8* 185.1* 27.4* 230 273
240* 710*
180 122.4 220 195.1 220 44.1 270 470.1 180 12.7
186.3* 220.8* 223.1* 232.7* 222.4* 49.3* 273.16* 611.66* 187.6* 22.7*
300 47.9 115.8* 73.1*
310* 107*
160 74.2 255 13.6
161.4* 81.7* 259.83* 18.62*
194.7 101.3 400 14.8 180 49.0
205 227.1 425 36.4 190 106.3
216.58* 518.0* 459.9* 107.4* 192.4* 126.0*
250 24.8
255 32.4
256.58* 35.8*
6-52
Section6.indb 52
4/29/05 4:17:49 PM
Sublimation Pressure of Solids C6H6Cl6 1,2,3,4,5,6–Hexa– chlorocyclohexane (Lindane) C6H6O2 Resorcinol C6H6O2 p–Hydroquinone C10H8 Naphthalene C12H8N2 Phenazine C12H8O Dibenzofuran C12H9N Carbazole C13H7NO2 Benz[g]isoquinoline–5,10–dione C13H8O 1H–Phenalen–1–one C13H8O2 3–Hydroxy–1H–phenalen–1–one C13H9N Acridine C13H9N Phenanthridine C14H10 Anthracene C14H10 Phenanthrene C16H10 Pyrene C16H10O 1–Pyrenol C16H12S Benzo[b]naphtho–(2,1– d)thiophene C17H12 11H–Benzo[b]fluorene C18H10O4 6,11–Dihydroxy–5,12– naphthacenedione C18H12 Chrysene C18H12 Naphthacene C20H12 Perylene C22H14 Pentacene C24H12 Coronene
Section6.indb 53
6-53
T/K p/Pa
300 0.01
320 0.13
330 0.39
340 1.04
350 2.66
360 6.42
370 14.8
380 32.7
T/K p/Pa T/K p/Pa T/K p/Pa T/K p/Pa T/K p/Pa T/K p/Pa T/K p/Pa T/K p/Pa T/K p/Pa T/K p/Pa T/K p/Pa T/K p/Pa T/K p/Pa T/K p/Pa T/K p/Pa T/K p/Pa
330 1.03 350 1.20 250 0.036 290 0.0013 300 0.408 350 0.086 330 0.006 330 0.040 400 0.006 290 0.0024 310 0.020 320 0.014 300 0.025 320 0.008 360 0.005 330 0.001
340 2.78 360 3.18 270 0.514 300 0.0046 310 1.21 355 0.140 340 0.018 340 0.113 410 0.018 300 0.0085 320 0.066 330 0.043 310 0.085 330 0.024 370 0.016 340 0.004
350 7.09 370 7.96 280 1.662 310 0.0150 320 3.35 360 0.245 350 0.053 350 0.302 420 0.053 310 0.0278 330 0.206 340 0.125 320 0.270 340 0.073 380 0.047 350 0.012
360 17.2 380 19.0 290 4.918 320 0.0448 330 8.71
370 39.6 390 43.4 300 13.43
380 87.6 400 95.1 310 34.15
330 182.9
353.43* 999.6*
340 21.4
350 50.0
360 0.148
370 0.394
380 0.994
430 0.144 320 0.0845 340 0.603 350 0.342 330 0.796 350 0.208 390 0.135 360 0.036
360 1.01 340 2.02 360 0.556 400 0.364 370 0.098
370 2.38 350 4.89 370 1.32
380 5.35 360 11.2 380 2.86
390 11.5
380 0.255
390 0.631
T/K p/Pa T/K p/Pa
340 0.003 420 0.008
350 0.009 430 0.022
360 0.029 440 0.055
370 0.085 450 0.131
380 0.235
390 0.619
400 1.55
T/K p/Pa T/K p/Pa T/K p/Pa T/K p/Pa T/K p/Pa
390 0.087 390 0.005 390 0.006 450 0.002 430 0.004
400 0.221 400 0.014 400 0.015 460 0.006 440 0.010
410 0.539 410 0.035 410 0.040 470 0.013 450 0.021
420 1.26 420 0.084 420 0.102 480 0.031 460 0.046
430 0.194 430 0.246 490 0.069 470 0.097
440 0.432
450 0.928
460 1.929
480 0.197
490 0.389
500 0.747
390 6.30
4/29/05 4:17:50 PM
VAPOR PRESSURE This table gives vapor pressure data for about 1800 inorganic and organic substances. In order to accommodate elements and compounds ranging from refractory to highly volatile in a single table, the temperature at which the vapor pressure reaches specified pressure values is listed. The pressure values run in decade steps from 1 Pa (about 7.5 µm Hg) to 100 kPa (about 750 mm Hg). All temperatures are given in °C. The data used in preparing the table came from a large number of sources; the main references used for each substance are indicated in the last column. Since the data were refit in most cases, values appearing in this table may not be identical with values in the source cited. The temperature entry in the 100 kPa column is close to, but not identical with, the normal boiling point (which is defined as the temperature at which the vapor pressure reaches 101.325 kPa). Although some temperatures are quoted to 0.1°C, uncertainties of several degrees should generally be assumed. Values followed by an “e” were obtained by extrapolating (usually with an Antoine equation) beyond the region for which experimental measurements were available and are thus subject to even greater uncertainty. Compounds are listed by molecular formula following the Hill convention. Substances not containing carbon are listed first, followed by those that contain carbon. To locate an organic compound by name or CAS Registry Number when the molecular formula is not known, use the table “Physical Constants of Organic Compounds” in Section 3 and its indexes to determine the molecular formula. The indexes to “Physical Constants of Inorganic Compounds” in Section 4 can be used in a similar way. More extensive and detailed vapor pressure data on selected important substances appear in other tables in this section of the Handbook. These substances are flagged by a symbol following the name as follows: * **
See “Vapor Pressure of Fluids below 300 K” See “IUPAC Recommended Data for Vapor Pressure Calibration” *** See “Vapor Pressure of Ice” and “Vapor Pressure of Water from 0 to 370°C” The following notations appear after individual temperature entries: s — Indicates the substance is a solid at this temperature. e — Indicates an extrapolation beyond the region where experimental measurements exist. i — Indicates the value was calculated from ideal gas hermodynamic functions, such as those in the JANAF Thermochemical Tables (see Reference 8).
References 1. Lide, D.R., and Kehiaian, H.V., CRC Handbook of Thermophysical and Thermochemical Data, CRC Press, Boca Raton, FL, 1994. 2. Stull, D., in American Institute of Physics Handbook, Third Edition, Gray, D.E., Ed., McGraw Hill, New York, 1972. 3. Hultgren, R., Desai, P.D., Hawkins, D.T., Gleiser, M., Kelley, K.K., and Wagman, D.D., Selected Values of Thermodynamic Properties of the Elements, American Society for Metals, Metals Park, OH, 1973. 4. Stull, D., Ind. Eng. Chem., 39, 517, 1947. 5. TRCVP, Vapor Pressure Database, Version 2.2P, Thermodynamic Research Center, Texas A&M University, College Station, TX.
6. TRC Thermodynamic Tables, Thermodynamic Research Center, Texas A&M University, College Station, TX. 7. Ohe, S., Computer Aided Data Book of Vapor Pressure, Data Book Publishing Co., Tokyo, 1976. 8. Chase, M.W., Davies, C.A., Downey, J.R., Frurip, D.J., McDonald, R.A., and Syverud, A.N., JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data, Vol. 14, Suppl. 1, 1985. 9. Barin, I., Thermochemical Data of Pure Substances, VCH Publishers, New York, 1993. 10. Jacobsen, R.T., et. al, International Thermodynamic Tables of the Fluid State, No. 10. Ethylene, Blackwell Scientific Publications, Oxford, 1988. 11. Wakeham, W.A., International Thermodynamic Tables of the Fluid State, No. 12. Methanol, Blackwell Scientific Publications, Oxford, 1993. 12. Janz, G.J., Molten Salts Handbook, Academic Press, New York, 1967. 13. Ohse, R.W. Handbook of Thermodynamic and Transport Properties of Alkali Metals, Blackwell Scientific Publications, Oxford, 1994. 14. Gschneidner, K.A., in CRC Handbook of Chemistry and Physics, 77th Edition, p. 4–112, CRC Press, Boca Raton, FL, 1996. 15. Leider, H.R., Krikorian, O.H., and Young, D.A., Carbon, 11, 555, 1973. 16. Ruzicka, K., and Majer, V., J. Phys. Chem. Ref. Data, 23, 1, 1994. 17. Tillner–Roth, R., and Baehr, H.D., J. Phys. Chem. Ref. Data, 23, 657, 1994. 18. Younglove, B.A., and McLinden, M.O., J. Phys. Chem. Ref. Data, 23, 731, 1994. 19. Outcalt, S.L., and McLinden, M.O., J. Phys. Chem. Ref. Data, 25, 605, 1996. 20. Weber, L.A., and Defibaugh, D.R., J. Chem. Eng. Data, 41, 382, 1996. 21. Rodrigues, M.F., and Bernardo-Gil, M.G., J. Chem. Eng. Data, 41, 581, 1996. 22. Piacente, V., Gigli, G., Scardala, P., and Giustini, A., J. Phys. Chem., 100, 9815, 1996. 23. Barton, J.L., and Bloom, H., J. Phys. Chem., 60, 1413, 1956. 24. Sense, K.A., Alexander, C.A., Bowman, R.E., and Filbert, R.B., J. Phys. Chem., 61, 337, 1957. 25. Ewing, C.T., and Stern, K.H., J. Phys. Chem. 78, 1998, 1974. 26. Cady, G.H., and Hargreaves, G.B., J. Chem. Soc., 1563, 1961; 1568, 1961. 27. Skudlarski, K., Dudek, J., and Kapala, J., J. Chem. Thermodynamics, 19, 857, 1987. 28. Wagner, W., and de Reuck, K.M., International Thermodynamic Tables of the Fluid State, No. 9. Oxygen, Blackwell Scientific Publications, Oxford, 1987. 29. Marsh, K.N., Editor, Recommended Reference Materials for the Realization of Physicochemical Properties, Blackwell Scientific Publications, Oxford, 1987. 30. Alcock, C.B., Itkin, V.P., and Horrigan, M.K., Canadian Metallurgical Quarterly, 23, 309, 1984. 31. Stewart, R.B., and Jacobsen, R.T., J. Phys. Chem. Ref. Data, 18, 639, 1989. 32. Sifner, O., and Klomfar, J., J. Phys. Chem. Ref. Data, 23, 63, 1994. 33. Bah, A., and Dupont–Pavlovsky, N., J. Chem. Eng. Data, 40, 869, 1995. 34. Behrens, R.G., and Rosenblatt, G., J. Chem. Thermodynamics, 4, 175, 1972. 35. Behrens, R.G., and Rosenblatt, G., J. Chem. Thermodynamics, 5, 173, 1973. 36. Haar, L., Gallagher, J.S., and Kell, G.S., NBS/NRC Steam Tables, Hemisphere Publishing Corp., New York, 1984. 37. Wagner, W., Saul, A., and Pruss, A., J. Phys. Chem. Ref. Data, 23, 515. 1994. 38. Behrens, R.G., Lemons, R.S., and Rosenblatt, G., J. Chem. Thermodynamics, 6, 457, 1974. 39. Boublik, T., Fried, V., and Hala, E., The Vapor Pressure of Pure Substances, Second Edition, Elsevier, Amsterdam, 1984. 40. Goodwin, R.D., J. Phys. Chem. Ref. Data, 14, 849, 1985. 41. Younglove, B.A., and Ely, J.F., J. Phys. Chem. Ref. Data, 16, 577, 1987.
6-54
Section6.indb 54
4/29/05 4:17:51 PM
Vapor Pressure Mol. form.
Name
Substances not containing carbon: Ag Silver AgBr Silver(I) bromide AgCl Silver(I) chloride AgI Silver(I) iodide Al Aluminum Aluminum borohydride AlB3H12 Aluminum trichloride AlCl3 Aluminum trifluoride AlF3 Aluminum triiodide AlI3 Aluminum oxide Al2O3 Ar Argon* As Arsenic Arsenic(III) chloride AsCl3 Arsenic(III) fluoride AsF3 Arsenic(III) iodide AsI3 Arsenic(III) oxide (arsenolite) As2O3 At Astatine Gold Au B Boron Boron tribromide BBr3 Boron trichloride* BCl3 Boron trifluoride* BF3 Tetrafluorodiborane B2F4 Diborane B2H6 Pentaborane(9) B5H9 Ba Barium Beryllium Be Beryllium bromide BeBr2 Beryllium chloride BeCl2 Beryllium fluoride BeF2 Beryllium iodide BeI2 Bi Bismuth Bismuth tribromide BiBr3 Bismuth trichloride BiCl3 BrCs Cesium bromide BrH Hydrogen bromide* Bromosilane BrH3Si Ammonium bromide BrH4N BrK Potassium bromide BrLi Lithium bromide Sodium bromide BrNa BrRb Rubidium bromide BrTl Thallium(I) bromide Bromine* Br2 Cadmium bromide Br2Cd Mercury(II) bromide Br2Hg Thionyl bromide Br2OS Lead(II) bromide Br2Pb Sulfur bromide Br2S2 Indium(III) bromide Br3In Phosphorus(V) oxybromide Br3OP Phosphorus(III) bromide Br3P Antimony(III) bromide Br3Sb Germanium(IV) bromide Br4Ge Tin(IV) bromide Br4Sn Zirconium(IV) bromide Br4Zr Phosphorus(V) bromide Br5P Ca Calcium Cd Cadmium
Section6.indb 55
6-55 1 Pa
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa
1010 569 i 670 594 1209
1140 656 i 769 686 1359
1302 765 i 873 803 1544
58.4 s 744 s
76.5 s 819 s
97.1 s 906 s
280 s
–226.4 s 323 s
2122 –220.3 s 373 s –8 e
1509 905 i 1052 959 1781 –46.8 120.7 s 1008 s 218 2351 –212.4 s 433 s 21.3
133.7 s 88 s 1373 2075
163.0 s 119 s 1541 2289
–173.9 s
–166.0 s
196.8 s 156 s 1748 2549 –45 e –94.0 –156.0 s
187 236.2 s 202 s 2008 2868 –15 e –70.5 –143.0 s
1782 1093 i 1264 1177 2091 –9.4 148.2 s 1130 s 285 2629 –201.7 s 508 s 63.1 8.1 261 283.0 258 s 2347 3272 27.5 –37.4 –125.9
–147.0 –34.8 1115 1750 335 s 339 s 869 333 s 1052 273 i 248.9 834 i –123.8 s –81.0 246 s
–125.8 3.8 1413 2054 397 s 402 s 999 402 s 1265 348 i 328.6 1019 i –101.5 s –47.3 310.4 s
334 2805 3799 90.4 12.3 –101.1 –34 –92.6 57.6 1897 2469 473 s 487 1172 e 487 1562 455 i 438.7 1293 e –67.0 2.2 395.1 s
868 931 903 509 –29.3 s
1049 1120 1087 635 2.5
1308 1389 1350 817 58.4
174 s 27.8 597 78.4 328.7 s 64 e 42.3 136.5 51 67 245 s 31 s 954 472
227 s 72.9 726 128.1 364.8 s 115.5 94.6 196.9 105 122 295 s 65.5 s 1170 594
318 139.6 914 200.9
–162 e 638 s 1189 s 203 s 196 s
765 1335 240 s 237 s 686 e 229 s 768
912 1518 283 s 284 s 767 e 276 s 892 217 s
531 s
601 s –153.3 s
701 i –140.4 s
121 s 597 s
154 s 674 s 630
195 s 773 733 791 766
–87.7 s 373 s 71 s –49 e 374 –7 e
–71.8 s 435 s 98 s –29 e 431 15 e
–52.7 s 509 s 132 s –5 e 502 42 e 304.6 s
–23 e
5e
167 s –19 s 683 s 310 s
203 s 4s 798 s 381
188 s 668
136 s 591 s 257 s
100 kPa
Ref.
2160 1359 i 1561 1503 2517 45.5 180.5 s 1276 s 385 2975 –186.0 601 s 129.4 56.0 367 e
2 9 4 4 2 4 4 8 4 4 1,5,31 3 1 4 7 34 2 2 2 1 4 4 1 1 4 9 2 4 4 7 4 2 4,9 1,4 9 5 4 5 25 4 4 4 4 1 27 4 5 4 5 1 5 5 1 4 4 4 5 2 2
191.4 172.6 286.5 188 204 356 s 110.1 1482 767
4/29/05 4:17:52 PM
Vapor Pressure
6-56 Mol. form. CdCl2 CdF2 CdI2 CdO Ce ClCs ClCu ClF ClF2P ClF3 ClF5 ClH ClHO3S ClH4N ClK ClLi ClNO ClNO2 ClNa ClO2 ClRb ClTl Cl2 Cl2Co Cl2FP Cl2F3P Cl2Fe Cl2Hg Cl2Mg Cl2Mn Cl2Ni Cl2OS Cl2O2S Cl2Pb Cl2S Cl2S2 Cl2Sn Cl2Zn Cl3Fe Cl3HSi Cl3N Cl3OP Cl3P Cl4Po Cl4Se Cl4Si Cl4Te Cl4Zr Cl5P Co Cr Cs CsF CsI Cu CuI Dy Er
Section6.indb 56
Name Cadmium chloride Cadmium fluoride Cadmium iodide Cadmium oxide Cerium Cesium chloride Copper(I) chloride Chlorine fluoride* Phosphorus(III) chloride difluoride Chlorine trifluoride Chlorine pentafluoride Hydrogen chloride* Chlorosulfonic acid Ammonium chloride Potassium chloride Lithium chloride Nitrosyl chloride Nitryl chloride Sodium chloride Chlorine dioxide* Rubidium chloride Thallium(I) chloride Chlorine* Cobalt(II) chloride Phosphorus(III) dichloride fluoride Phosphorus(V) dichloride trifluoride Iron(II) chloride Mercury(II) chloride Magnesium chloride Manganese(II) chloride Nickel(II) chloride Thionyl chloride Sulfuryl chloride Lead(II) chloride Sulfur dichloride Sulfur chloride Tin(II) chloride Zinc chloride Iron(III) chloride Trichlorosilane Nitrogen trichloride Phosphorus(V) oxychloride Phosphorus(III) chloride Polonium(IV) chloride Selenium tetrachloride Tetrachlorosilane* Tellurium tetrachloride Zirconium(IV) chloride Phosphorus(V) chloride Cobalt Chromium Cesium Cesium fluoride Cesium iodide Copper Copper(I) iodide Dysprosium Erbium
1 Pa 412 s 296 s 770 s 1719
–40 e 91 s 625 s
–121 e 653 s
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa 471 s 541 s 634 768 1257 1461 344 s 406 498 622 866 s 983 s 1128 s 1314 s 1921 2169 2481 2886 730 864 1043 459 543 675 914 –144.4 –122.6 –119.5 –91.1
–20 e 121 s 704 s 649 i –116 s –113 e 733 s
5e 159 s 804 761 i –100 s –102 e 835 777
–145 s
–133.7 s
–120.2 s
100 kPa 959 1742 795 1558 s 3432 1297 1477 –90.2 –47.6
Ref. 23, 27 4 4,27 4 14 4 4 5 5
–71.1
–33.0 –59 –118.0 85.0 263.1 s 1137 1101 i –50.2 –60.9 1182 –34.3 1105 626 –76.1 818 –37.4
11.4 –14 –85.2 153.6 339.5 s 1411 1381 i –5.7 –15.7 1461 10.5 1379 806 –34.2 1048 13.5
5 7 1,5 5 5 23,25 8 5 5 23,25 5 4 4 1 4 5
–77.1
–44.3
3e
7
685 174.5 s 908 760 747 s –27.1 –27 e 637 –16.7 21.0 381 497 i 229 s –56 e –25 e
821 228.5 s 1111 933 852 s 14.6 11.8 765 15.3 67.2 479 596 i 268 s –21 e 13.2 39.9 14.5 300.6 141.4 s 0e 299.4 272 s 111.4 s 2482 2257 477.1 999 1029 2131 864 2031 i 2279 i
1025 304.0 1414 1189 985 s 75.2 69.0 949 58.7 137.1 622 726 i 319 31.6 70.6 105.0 75.7 389.4 191.1 s 57.3 387.8 336 s 158.9 s 2925 2669 667.0 1249 1278 2563 1331 2558 i 2859 i
4 4 4 4 4 5 5 23 5 5 4 4,9,12 4 7 5 5 5 5 5 1 5 9 5 2 2 13,30 4 4,25 2 4 3 3
–63.7 –88 e –138.2 s 38.7 204.7 s 945 905 i –78.7 s –86.1 987 916 504 –103.6 s
–120 e
–101 e
64.4 s
94.7 s
130.8 s 762
534 s –99 e
592 s –81 e
662 s –58 e
–76 e –55 e 305 i 118 s
–61 e –36 e 253 356 i 153 s
541 e –41 e –12 e 308 419 i 190 s –81 e
–93 e
–77 e
–55 e
–26.0
23 s
45 s
71 s
117 s –2 s 1517 1383 s 144.5
146 s 19 s 1687 1534 s 195.6
181 s 44 s 1892 1718 s 260.9
523 s 1236
595 s 1388
692 1577
1105 s 1231 s
1250 s 1390 s
1431 i 1612 i
102 s –39 e 237 e 222 s 74 s 2150 1950 350.0 825 854 1816 636 1681 i 1890 i
4/29/05 4:17:54 PM
Vapor Pressure Mol. form. Eu FH FHO3S FK FLi FNO FNO2 FNO3 FNa FRb F2 F2O F2OS F2O2Re F2Pb F2Xe F2Zn F3N F3OP F3P F4MoO F4ORe F4OW F4S F4Se F4Si F5Mo F5Nb F5ORe F5Os F5P F5Re F5Ta F6Ir F6Mo F6Os F6Re F6S F6Se F6Te F6W F10S2 Fe Fr Ga Gd Ge HI HKO HNO3 HN3 HNaO H2 H2I2Si H2O H2O2 H2O4S H2S H2S2
Section6.indb 57
Name Europium Hydrogen fluoride* Fluorosulfonic acid Potassium fluoride Lithium fluoride Nitrosyl fluoride Nitryl fluoride Fluorine nitrate Sodium fluoride Rubidium fluoride Fluorine* Fluorine monoxide* Thionyl fluoride Rhenium(VI) dioxydifluoride Lead(II) fluoride Xenon difluoride Zinc fluoride Nitrogen trifluoride* Phosphorus(V) oxyfluoride Phosphorus(III) fluoride* Molybdenum(VI) oxytetrafluoride Rhenium(VI) oxytetrafluoride Tungsten(VI) oxytetrafluoride Sulfur tetrafluoride Selenium tetrafluoride Tetrafluorosilane* Molybdenum(V) fluoride Niobium(V) fluoride Rhenium(VII) oxypentafluoride Osmium(V) fluoride Phosphorus(V) fluoride Rhenium(V) fluoride Tantalum(V) fluoride Iridium(VI) fluoride Molybdenum(VI) fluoride Osmium(VI) fluoride Rhenium(VI) fluoride Sulfur hexafluoride* Selenium hexafluoride Tellurium hexafluoride Tungsten(VI) fluoride Sulfur decafluoride Iron Francium Gallium Gadolinium Germanium Hydrogen iodide* Potassium hydroxide Nitric acid Hydrazoic acid Sodium hydroxide Hydrogen* Diiodosilane Water*** Hydrogen peroxide Sulfuric acid Hydrogen sulfide* Hydrogen disulfide
6-57
–21 s
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa 684 s 799 s 961 1179 –71.1 –33.7 4e 28 e 59.1 101.3 869 1017 1216 896 1024 1188 1395 –131 e –116.1 –94.3 –156 e –144 e –128.1 –106.0 –149 e –135 e –115.1 –87.4 920 s 1058 1218 1426 910 1001 1145 –229.5 s –222.9 s –214.8 –204.3 –204.7 –195.9 –184.2 –168.2 –124 e –106.5 –81.5 89.2 131.9 865 1054 2.9 s 31.8 s 67.9 s 813 s 911 i 1048 i 1237 i –194 e –185 e –172.8 –155.5 –113 s –100 s –83.7 s –64.1 s –152 e –132.6 3s 33 s 69.3 s 117.3
5s 2s
26 s 25 s
50.7 s 52.1 s
–166 s
–157 s
–145.6 s
–103 s
–84 s
–157 s
–148 s
–59 s 74.1 –137 s 58.8
80.1 s 84.3 s –110.0 13.6 –132.3 s 86.6 80 –28 s 113.2 –124.5 s 99.5
–88 s –98 s –89 s –97 s –158 s –143 s –142 s –107 s
–71 s –82 s –73 s –82 s –147 s –132 s –130 s –92 s
–51 s –64 s –54 s –63 s –133.6 s –118 s –115 s –74 s
–27 s –41.2 s –30.6 s –40.2 s –116.6 s –100.7 s –96 s –52.1 s
1455 s 131 e 1037 1563 i 1371 –146 s 520 e
1617 181 e 1175 1755 i 1541 –135.2 s 601 e
513
605
1818 246 e 1347 1994 i 1750 –120.8 s 704 –37 e –79 e 722
2073 335 e 1565 2300 i 2014 –101.9 s 842 –9 e –54 e 874
–60.7 s
–42.2 s
72
103 –149 s
–20.3 s 13 e 140 –136 s
11.8 7.0 45 e 187 –118.9 s –27 e
1 Pa 590 s –14 e 801 s
–160 e
–235 s –211.7
731 s –201 e –124 s
117.1 126.7 –82.1 51.6 –115.7 s 140.3 140 13.7 s 162.3 –108.6 s 152 e 119 3.8 s –13.4 s –1.7 s –11.9 s –94.4 s –77.8 s –71.8 s –24.8 s –22.0 2406 465 e 1852 2703 i 2360 –75.9 s 1035 28.4 –18.0 1080 –258.6 70.5 45.8 89.0 248 –95.9 s 12.2
100 kPa 1523 19.2 162.2 1499 1672 –60.1 –72.6 –45.0 1702 1409 –188.3 –144.9 –44.1 185 e 1292 114 s 1503 i –129.2 –39.7 s –101.4 184.1
Ref. 14 1,5 5 4 4,12,25 5 5 5 4,12,24 4,12 1,5 5 5 26 4 1,5 9 5 5 5 26
171.2 185.4 –40.3 104.7 –94.9 s 213 e 224 72.8 226 e –84.8 221 e 229 53.1 33.5 47.4 33.4 –64.1 s –46.5 s –39.1 s 16.9 28.5 2859 673 e 2245 3262 i 2831 –35.9 1325 82.2 35.7 1377 –252.8 149.4 99.6 149.8 330 –60.5 70.7
26 26 5 5 4,7 26 4 26 26 5 26 4 26 26 26 26 5 5 5 26 5 2 2 2 3 2 5 4 5 5 4 1 4 36,37 5 4 1,5 5
4/29/05 4:17:55 PM
Vapor Pressure
6-58 Mol. form. H2Se H2Te H3ISi H3N H3NO H3P H4IN H4N2 H4Si He Hf Hg HgI2 Ho IK ILi INa IRb ITl I2 I2Pb I2Zn I3Sb I4Sn I4Zr In Ir K Kr La Li Lu Mg Mn Mo MoO3 NO N2 N2O N2O4 N2O5 Na Nb Nd Ne Ni OPb OSr O2 O2S O2Se O2Si O3 O3P2 O3S O3Sb2 O5P2 O7Re2 Os
Section6.indb 58
Name Hydrogen selenide Hydrogen telluride Iodosilane Ammonia* Hydroxylamine Phosphine* Ammonium iodide Hydrazine Silane* Helium* Hafnium Mercury** Mercury(II) iodide Holmium Potassium iodide Lithium iodide Sodium iodide Rubidium iodide Thallium(I) iodide Iodine (rhombic) Lead(II) iodide Zinc iodide Antimony(III) iodide Tin(IV) iodide Zirconium(IV) iodide Indium Iridium Potassium Krypton* Lanthanum Lithium Lutetium Magnesium Manganese Molybdenum Molybdenum(VI) oxide Nitric oxide* Nitrogen* Nitrous oxide* Nitrogen tetroxide Nitrogen pentoxide Sodium Niobium Neodymium Neon* Nickel Lead(II) oxide Strontium oxide Oxygen* Sulfur dioxide* Selenium dioxide Silicon dioxide Ozone* Phosphorus(III) oxide Sulfur trioxide Antimony(III) oxide (valentinite) Phosphorus(V) oxide Rhenium(VII) oxide Osmium
426.1 s
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa –134 s –120 s –102.8 s –78.9 s –46.6 –47.7 –10.1 –127 s –112 s –94.5 s –71.3 43.7 73.3 –173 s –161 s –145 s –122.7 159 s 201 s 253 s 318.4 s 14.7 55.6 –181 –165.4 –143.7 –270.6 2681 3004 3406 3921 76.6 120.0 175.6 250.3 115.6 s 152.4 s 197.8 s 255.1 s 1311 s 1502 i 1767 i 2137 i 731 866 1052 619 710 824 972 753 883 1058 733 866 1045 520 644 9.3 s 35.9 s 68.7 s 108 s 470 558 682 351 s 409 s 488 i 598 i 214.9 292.0 167.1 242.7 220 s 259 s 305 s 361 s 1052 1212 1417 1689 2684 2979 3341 3796 256.5 328 424 559 –208.0 s –199.4 s –188.9 s –174.6 s 1935 i 2185 i 2499 i 2905 i 612.3 722.1 871.2 1064.3 1829.8 2072.8 2380 i 2799 i 500 s 588 s 698 859 1074 s 1220 s 1418 1682 2721 3039 3434 3939 801 935 –195 s –188 s –179.3 s –168.1 s –232 s –226.8 s –220.2 s –211.1 s –157 s –145.4 s –131.1 s –112.9 s –78 s –61 s –41.1 s –16.6 s –56 s –40 s –19.9 s 3.9 s 344.2 424.3 529 673 2934 3251 3637 4120 1501.2 1725.3 2023 i 2442 i –260 s –258 s –255 s –252 s 1677 1881 2137 2468 816 928 1065 1241 1903 s 2047 s 2235 s 2488 s –211.9 –200.5 –98 s –80 s –52.2 153.9 s 188 s 228 s 275 s 2149 i 2368 i –182 e –172 e –158 e –139.7 47.3 100.3 –20 s 6.6 s 478 s 539 s 610 s 907
285 s 147 s 2887 s
328 s 176 s 3150
1 Pa –145 s
–139 s –182 s 125 s
2416 42.0 85.1 s 1159 s 545
–12.8 s 301 s
187 s 923 2440 s 200.2 –214.0 s 1732 i 524.3 1633 s 428 s 955 s 2469 s –201 s –236 s –167 s –92 s –71 s 280.6 2669 1322.3 –261 s 1510 724 1789 s
124.5 s 1966 i –189 e
377.5 s 208 s 3478
434.4 s 244 s 3875
500.5 s 284 s 4365
100 kPa –41.5 –2.3 45.2 –33.6 109.8 –88.0 405.2 s 113 e –111.8 –268.9 4603 355.9 353.6 2691 i 1322 1170 1301 1302 821 184.0 869 750 i 401.2 347.7 430 s 2067 4386 756.2 –153.6 3453 i 1337.1 3390 i 1088 2060 4606 1151 –151.9 –195.9 –88.7 28.7 33.2 880.2 4740 3063 i –246.1 2911 1471
–111.5 172.8 44.5 1420
Ref. 5 5 4 1,5,6 4 5 5 5 4 2 9 29,30 4 3 4 4 4 4 4 1,2 4 9 4 4 4 2 2 13,30 5 3 13,30 3 2 2 2 4 5 1,5 5 5 5 13,30 2 3 2 2 4 4 1,28 1,5 38 8 5 4 5 4,35
591 362 4983
4 4 2
–183.1 –10.3 315 s
4/29/05 4:17:56 PM
Vapor Pressure Mol. form. P P Pb PbS Pd Po Pr Pt Pu Ra Rb Re Rh Rn Ru S Sb Sc Se Si Sm Sn Sr Ta Tb Tc Te Th Ti Tl Tm U V W Xe Y Yb Zn Zr
Name Phosphorus (white) Phosphorus (red) Lead Lead(II) sulfide Palladium Polonium Praseodymium Platinum Plutonium Radium Rubidium Rhenium Rhodium Radon* Ruthenium Sulfur Antimony Scandium Selenium Silicon Samarium Tin Strontium Tantalum Terbium Technetium Tellurium Thorium Titanium Thallium Thulium Uranium Vanadium Tungsten Xenon* Yttrium Ytterbium Zinc Zirconium
Substances containing carbon: C Carbon (graphite) Bromochloro-difluoromethane CBrClF2 Bromotrichloromethane CBrCl3 Bromotrifluoromethane* CBrF3 CBrN Cyanogen bromide Dibromodifluoromethane CBr2F2 Tetrabromomethane CBr4 Chlorotrifluoromethane CClF3 CClN Cyanogen chloride Dichlorodifluoromethane* CCl2F2 Carbonyl chloride CCl2O Trichlorofluoromethane* CCl3F Trichloronitromethane CCl3NO2 Tetrachloromethane* CCl4 CFN Cyanogen fluoride Tetrafluoromethane* CF4 Bromodifluoromethane CHBrF2 Tribromomethane CHBr3 Chlorodifluoromethane* CHClF2 Dichlorofluoromethane CHCl2F
Section6.indb 59
6-59
2360 1709 609 844 s 2052 1828 s 3204 s –190 s 1610.1 463 s 337 s 2366
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa 34 s 69 115 180 216 s 256 s 303 s 362 s 815 956 1139 1387 741 s 838 s 953 s 1088 s 1624 1844 2122 2480 573 e 730.2 1699.4 1954 i 2298 i 2781 i 2277 e 2542 2870 3283 1680 1925 2238 2653 633 s 764 936 1173 212.5 278.9 368 496.1 3341 3736 4227 4854 2223 2476 2790 3132 –152 s –139 s –121.4 s –97.6 s 2538 2814 3151 3572 135 176 235 318 603 s 738 946 1218 1531 s 1733 i 1993 i 2340 i 279 344 431 540 1829 2066 2363 2748 833 s 967 s 1148 i 1402 i 1384 1582 1834 2165 609 s 717 s 866 1072 3324 3684 4122 4666 1706.1 1928 i 2232 i 2640 i 2725 e 3051 e 3453 e 3961 e 502 e 615 e 768.8 2634 2975 3410 3986 1898 2130 e 2419 2791 704 824 979 1188 962 s 1108 s 1297 s 1548 i 2291 2586 2961 3454 2016 2250 2541 2914 3500 3864 4306 4854 –181 s –170 s –155.8 s –136.6 s 1802.3 2047 i 2354 i 2763 i 540 s 637 s 774 s 993 i 397 s 477 579 717 2618 2924 3302 3780
–136 e
2566 s –123 e
2775 s –106 e
–168 e
–156 e
–142 e
–110 e –167 e –94.6 s –138 e –113 e –107 e –59 e –70.8 s –135 s –193 s –128 s
–91 e 25.6 s –155 e –78.1 s –122 e –96 e –89 e –30 e –53.5 s –121.2 s –183.9 s –111.4 s
–141 e –70 e
–126 e –61 e
1 Pa 6s 182 s 705 656 s 1448 s 1497.7 2057 1483 546 s 160.4 3030 s 2015 –163 s 2315 s 102 s 534 s 1372 s 227 1635 728 s 1224 523 s 3024 1516.1 2454 e
–176 e –150 e –127 e
–79.4 s –199.9 s
–152 e –76 e
3016 s –83.4 –6 e –122.8 –13 s –66 e 65.8 s –139 e –57 s –101.8 –73 e –63 e 4.4 –24.4 s –104.1 s –171.6 –89.7 s 30.5 –107.1 –49 e
3299 s –51.8 38.9 –96.6 17.7 s –30 e 111.6 –116 e –29 s –73.1 –40.6 –28.5 47.8 15.8 –82.8 s –153.9 –59.7 s 78.3 –80.5 –28.7
100 kPa 276 431 s 1754 1280 2961 963.3 3506 i 3821 3226 1526 685.3 5681 3724 –62.3 4115 444 1585 2828 i 685 3264 1788 i 2620 1373 5361 3218 i 4621 e 992.4 4782 3285 1485 1944 i 4129 3406 5550 –108.4 3334 i 1192 i 912 e 4405
Ref. 3,9 2,3 2 4 2 5 3 2 2 2 13,30 2 2 5 2 3 2,3 3 3 2 3 2 2 2 3 2 5 2 2 2 3 2 2 2 5,32 3 3 2 2
3635 s –4.3 104.4 –58.1 61.0 22.5 188.9 –81.7 13.0 –30.0 7.2 23.3 112.0 76.2 –46.2 –128.3 –16 s 148.8 –41.1 8.6
15 1 5 5 1 1 5 5 5 5 5 1,5 5 1,5 1,5 1,5 5 1 5 1
4/29/05 4:17:57 PM
Vapor Pressure
6-60 Mol. form. CHCl3 CHF3 CHI3 CHN CHNO CH2BrCl CH2Br2 CH2ClF CH2Cl2 CH2F2 CH2I2 CH2O CH2O2 CH3AsF2 CH3BO CH3Br CH3Cl CH3Cl3Si CH3F CH3I CH3NO CH3NO2 CH3NO3 CH4 CH4Cl2Si CH4O CH4S CH5ClSi CH5N CH6N2 CH6OSi CH6Si CIN CNNa CN4O8 CO COS COSe CO2 CS2 CSe2 C2Br2ClF3 C2Br2F4 C2Br4 C2ClF3 C2ClF5 C2Cl2F4 C2Cl2F4 C2Cl3F3 C2Cl3F3 C2Cl3N C2Cl4 C2Cl4F2 C2Cl4F2 C2Cl4O C2Cl6 C2F3N C2F4 C2F4N2O4
Section6.indb 60
Name Trichloromethane* Trifluoromethane* Triiodomethane Hydrogen cyanide* Cyanic acid Bromochloromethane Dibromomethane Chlorofluoromethane Dichloromethane* Difluoromethane* Diiodomethane Formaldehyde* Formic acid Methyldifluoroarsine Borane carbonyl Bromomethane Chloromethane* Methyltrichlorosilane Fluoromethane* Iodomethane Formamide Nitromethane Methyl nitrate Methane* Dichloromethylsilane Methanol* Methanethiol Chloromethylsilane Methylamine Methylhydrazine Methyl silyl ether Methylsilane Cyanogen iodide Sodium cyanide Tetranitromethane Carbon monoxide* Carbon oxysulfide* Carbon oxyselenide Carbon dioxide* Carbon disulfide Carbon diselenide 1,2-Dibromo-1-chloro-1,2,2trifluoroethane 1,2-Dibromotetrafluoroethane Tetrabromoethylene Chlorotrifluoroethylene Chloropentafluoroethane 1,1-Dichlorotetrafluoroethane 1,2-Dichlorotetrafluoroethane 1,1,1-Trichlorotrifluoroethane 1,1,2-Trichlorotrifluoroethane Trichloroacetonitrile Tetrachloroethylene 1,1,1,2-Tetrachloro-2,2-difluoroethane 1,1,2,2-Tetrachloro-1,2-difluoroethane Trichloroacetyl chloride Hexachloroethane Trifluoroacetonitrile Tetrafluoroethylene 1,1,2,2-Tetrafluoro-1,2-dinitroethane
1 Pa
51.1 s
–83 e
–156.7
–56 s
–140.2 s
–220 s –87 e –129 e
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa –61 e –34 e 4.3 –152 e –136 e –114.4 82.7 s 121 e –77 s –52.6 s –22.7 s –81.1 –56.8 –23.9 –69 e –50 e –25 e 11.4 –37 e –7 e 35.2 –124 e –108 e –86.2 –55.7 –92 e –73 e –48 e –12.5 –145.8 –131.9 –113.6 –88.6 17 e 55 e 106.1 –91 e –61.7 –40.4 s –22.3 s –0.8 s 37.0 –15 e 22.1 –124 –99 –77 e –44.3 –128.6 s –114.7 s –96 e –67.1 –83 e –61 e –33 e 7e –130 e –111 e –49 e –12.4 22 e 53 e 93 e 145.0 –2 e 40 e –75 e –55 e –27 e 9.8 –214.2 s –206.8 s –197 s –183.6 s –77 e –51 e –14 e –69 e –47.5 –20.4 15.2 –115 e –97 e –74 e –41.7 –115 e –97.9 –74.4 –41.5 –76.7 –48.1 –31 e –4.7 32.9 –90.2 –61.8 –144 e –124.6 –97.5 672 e
–159.1 s
–146 e
–148.9 s –96 e
–97 e –54.5 s –134 e
798 –223 s –136 e –120 –136.7 s –76 e –24 e
961 18.0 –216.5 s –117 e –98 –121.6 s –49 e 9.4
1182 61.8 –207.2 s –90.0 –67 –103.1 s –10.9 56.2
–75 e –31.7 s –119 e
–46 e –3.5 s –99 e
–7.2 32.2 s –71 e –80.3 –45.4 –44.9
–76.8
–22 e
–7.6 s
9.9 s
–25 e 33.6 s
–16 e 10 e –7 e 7e 67.7 s –126.1 –132.3 –30 e
–8.2 25.3 54.4 31.0 32.3 51.7 116.9 s –102.5 –109.7 6.4
100 kPa 60.8 –82.3 218.0 25.4 23 e 67.7 96.5 –9.4 39.3 –51.9 181.6 –19.3 100.2 76.1 –64 3.3 –24.4 65.7 –78.6 42.1 218 e 100.8 63 e –161.7 40.5 64.2 5.7 8.3 –6.6 91 e –18 e –57.5 153.8 1497 124 e –191.7 –50.4 –22 –78.6 s 45.9 127 e 92.3
Ref. 1 1 5 1,5 5 1 5 5 1 1 5 1 1,5 5 4 1 1,33 1 1 1 5 1 5 5,41 1 11 1 5 1 1 1 5 5 4 5 40 1 4 5 1 1 5
47.1 226.0 –28.4 –39.4 2.7 3.2 45.6 47.3 85.1 120.7 91.1 92.5 117.8 184.2 s –67.8 –75.8 59.5
5 5 1 1 5 5 1,5 1,5 1 1 5 1 1,5 5 1 1 5
4/29/05 4:17:58 PM
Vapor Pressure Mol. form. C2F6 C2HBrClF3 C2HBr3O C2HClF4 C2HCl2F3 C2HCl3 C2HCl3O C2HCl3O2 C2HCl5 C2HF3O2 C2HF5O C2H2 C2H2Br2 C2H2Br2 C2H2Br2Cl2 C2H2Br2Cl2 C2H2Br4 C2H2Cl2 C2H2Cl2 C2H2Cl2 C2H2Cl2F2 C2H2Cl2O C2H2Cl4 C2H2Cl4 C2H2F4 C2H2F4 C2H2O C2H3Br C2H3BrO C2H3Br3 C2H3Cl C2H3ClF2 C2H3ClO C2H3ClO2 C2H3Cl2F C2H3Cl2F C2H3Cl3 C2H3Cl3 C2H3F C2H3FO C2H3F3 C2H3F3O C2H3I C2H3IO C2H3N C2H3NO C2H3NS C2H4 C2H4BrCl C2H4Br2 C2H4Br2 C2H4ClF C2H4Cl2 C2H4Cl2 C2H4F2 C2H4N2O6 C2H4O C2H4O C2H4O2 C2H4O2
Section6.indb 61
Name Hexafluoroethane** 2-Bromo-2-chloro-1,1,1-trifluoroethane Tribromoacetaldehyde 1-Chloro-1,1,2,2-tetrafluoroethane 2,2-Dichloro-1,1,1-trifluoroethane Trichloroethylene Trichloroacetaldehyde Trichloroacetic acid Pentachloroethane Trifluoroacetic acid Trifluoromethyl difluoromethyl ether Acetylene* cis-1,2-Dibromoethylene trans-1,2–Dibromoethylene 1,2-Dibromo-1,1-dichloroethane 1,2-Dibromo-1,2-dichloroethane 1,1,2,2-Tetrabromoethane 1,1-Dichloroethylene cis-1,2-Dichloroethylene trans-1,2-Dichloroethylene 1,2-Dichloro-1,1-difluoroethane Chloroacetyl chloride 1,1,1,2-Tetrachloroethane 1,1,2,2-Tetrachloroethane 1,1,1,2-Tetrafluoroethane 1,1,2,2-Tetrafluoroethane Ketene Bromoethylene Acetyl bromide 1,1,2-Tribromoethane Chloroethylene 1-Chloro-1,1-difluoroethane Acetyl chloride Chloroacetic acid 1,1-Dichloro-1-fluoroethane 1,2-Dichloro-1-fluoroethane 1,1,1-Trichloroethane 1,1,2-Trichloroethane Fluoroethylene Acetyl fluoride 1,1,1-Trifluoroethane 2,2,2-Trifluoroethanol Iodoethylene Acetyl iodide Acetonitrile Methylisocyanate Methyl thiocyanate Ethylene* 1-Bromo-2-chloroethane 1,1-Dibromoethane 1,2-Dibromoethane 1-Chloro-1-fluoroethane 1,1-Dichloroethane 1,2-Dichloroethane 1,1-Difluoroethane Ethylene glycol dinitrate Acetaldehyde Ethylene oxide Acetic acid Methyl formate
6-61 1 Pa
–74 e
–147 e
14 e –116 e
–101 e –58 e
–124 e –78 e –18 e –139 e –100 e
4e
–42.8 s
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa –155.2 s –137.5 s –113.4 s –41.4 –4.8 15.0 52.7 103.0 –110 e –87.6 –57.0 –101.0 –82.2 –57.4 –23.3 –59 e –39 e –12 e 26.7 –41.6 –9.8 33.8 83.8 130.0 –23 e 3e 37.4 86.0 16.8 –136 e –121 e –102 e –75.0 –146.6 s –130.7 s –110.6 s –45 e –21 e 10 e 52.2 –4 e 42.2 103.6 –11 e 22 e 64.1 119 e 38 e 69 e 109 e 163.7 –101 e –82 e –57 e –21.4 –62 e –34 e 3.8 –44 e –7.5 –87 e –68 e –42.2 –6.8 –23.7 5.6 46.1 –40 e –15 e 17 e 62.2 –22 e 1e 32.4 76.9 –94.3 –66.8 –96.0 –66.9 –151 e –135 e –115 e –88.2 –110 e –92 e –68 e –34.5 –65 e –49 e –25 e 13.9 4e 32 e 68 e 117.1 –127 e –110 e –89 e –59.0 –123 e –107 e –85.3 –55.4 –85 e –66 e –40 e –3.6 78.4 123.9 –101 e –83 e –57.9 –22.7 –50 e –23.8 14.1 -25.3 14.2 –23 e 7e 49.9 –153.3 –135.2 –109.9 –64.1 –113 e –86.6 –33 e –8 e 26.0 –41 e –3 e –0.6 47 e –20 e 21.4 –43.5 –10.2 –18.4 16.2 63.5 –155.6 –135.1 –0.4 41.7 –49 e –26 e 5e 46.4 18 e 62.2 –69.9 –36.1 –84 e –64 e –36.7 1.0 –16.4 23.7 –115.2 –94.6 –66.1 25.6 51.0 81 e 117 e –105 e –87 e –62.8 –29.4 –111 e –93 e –70 e –37.0 –26.7 s –8 s 14.2 s 55.9 –95 e –76 e –51.8 –18.1
100 kPa –78.4 s 49.8 173.5 –12.1 26.7 86.8 97.4 197.2 159.4 71.4 –35.4 –84.8 s 114.8 107.4 177.8 193 e 242.9 31.2 60.3 47.3 46.3 105.6 129.7 144.7 –26.4 –23.3 –50.0 15.4 84 e 188.4 –14.1 –10.5 50.4 188.9 31.4 73.4 73.7 113.4 –72.2 17.0 –47.8 74 e 55.6 107.0 81.2 38.8 132.5 –104.0 105.7 107.6 130.9 15.8 56.9 83.1 –24.3 162 e 20.0 10.2 117.5 31.4
Ref. 1,5 1 5 5 18 1 5 1,5 1 1,5 20 5 1 5 5 5 5 1 1 1 5 5 1 1 17 5 1 5 5 5 1 5 1 1 5 5 5 1 5 5 1 5 5 5 1 1 5 1,10 6 5 1 5 1 1 19 5 5 1 1,5 5
4/29/05 4:18:00 PM
Vapor Pressure
6-62 Mol. form. C2H4O3 C2H4O3 C2H5AsF2 C2H5Br C2H5Cl C2H5ClO C2H5ClO C2H5Cl3OSi C2H5Cl3Si C2H5F C2H5FO C2H5I C2H5N C2H5NO C2H5NO C2H5NO2 C2H5NO3 C2H6 C2H6Cl2Si C2H6Hg C2H6N2O C2H6O C2H6O C2H6OS C2H6O2 C2H6O2 C2H6O2S C2H6S C2H6S C2H6S2 C2H7BO2 C2H7N C2H7N C2H7NO C2H8N2 C2H8N2 C2H8N2 C2N2 C3ClF5O C3Cl6 C3F6 C3F6O C3F8 C3HN C3H2F6O C3H3F5 C3H3N C3H3NS C3H4 C3H4 C3H4ClF3 C3H4Cl2O C3H4Cl2O2 C3H4Cl4 C3H4F4O C3H4O C3H4O2 C3H4O2 C3H4O2 C3H4O3
Section6.indb 62
Name Peroxyacetic acid Glycolic acid Ethyldifluoroarsine Bromoethane Chloroethane 2-Chloroethanol Chloromethyl methyl ether Trichloroethoxysilane Trichloroethylsilane Fluoroethane 2-Fluoroethanol Iodoethane Ethyleneimine Acetamide N-Methylformamide Nitroethane Ethyl nitrate Ethane* Dichlorodimethylsilane Dimethyl mercury N-Nitrosodimethylamine Ethanol Dimethyl ether* Dimethyl sulfoxide Ethylene glycol Ethyl hydroperoxide Dimethyl sulfone Ethanethiol Dimethyl sulfide Dimethyl disulfide Dimethoxyborane Ethylamine Dimethylamine Ethanolamine 1,2-Ethanediamine 1,1-Dimethylhydrazine 1,2-Dimethylhydrazine Cyanogen Chloropentafluoroacetone Hexachloropropene Perfluoropropene Perfluoroacetone Perfluoropropane Cyanoacetylene 1,1,1,3,3,3-Hexafluoro-2-propanol 1,1,1,2,2–Pentafluoropropane 2-Propenenitrile Thiazole Allene* Propyne 3-Chloro-1,1,1-trifluoropropane 1,1-Dichloroacetone Methyl dichloroacetate 1,1,1,2-Tetrachloropropane 2,2,3,3-Tetrafluoro-1-propanol Acrolein Propenoic acid Vinyl formate 2-Oxetanone Ethylene carbonate
1 Pa
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa 14.4 55.3
–111 e –126 e –61 e –96 e –78 e –79 e
–96 e –112 e –39 e –80 e –60 e –61 e –142 e
–94 e
–78 e –74 e 39.1 s 13 e –44 e –63 e –173.2
16.7 s –61 e –81 e –183.3 s
–36 e –77 e –94 e –12 e –59 e –36.0 –38 e –127 e –22 e –56 e –55 e 65.2 s 41 e –21 e –41 e –161.3
–6.0 –51.3 –70 e 23 e –32 e –4.6 –8 e –106.3 8.3 –27.9 –30 e 102.8 78 e 8.3 –12 e –145.3
–52 e –33 e –98.5 s –93 e 40 e –122 e –113 e –124 e –58.7 s
–13.5 30.7 –7 e –96.8 65.0 86.1 6.8 109 e –53 e –51.2 1.7 –59.2 –53 e –66.9 66.2 17.0 –25.6 –9 e –79.2 s –71 e 79 e –101 e –94 e –105 e –35.6 s
–72 e
–50 e
–22 e
–129 e
–118 e
–102 e
–87 e
–68 e
–44 e –48 e
–25 e –28 e
0e –2 e –10 e –67 e
–101.4 –94 e –43 e 1e 33 e 32 e 17 e –40 e 35 e –34 e 45.5
–73 e
–56 e –135 e
2e –70 e
24 e –49 e
–112 e
–97 e –96 e –53 e –101.9
–71 e –116 e
11 e
–127 s –122 e –12 e –150 e
–49 e –114.1 s –109 e 11 e –138 e –139 e
–87 e
12.7 s
–21 e 37 e
–34 e –118 e 27.4 51.1 –25 e –78 e –77 e –29 e –83.5 –71 e –88 e 35 e
–58 e 8e
35.0 –15.5 –37.0 67.1 6e 38.7 34.9 –78.7 47.5 11.9 4.1 150.8 127.9 50.1 28.2 –122.8 11.1 29.0 80.5 29.2 –67.6 115.9 132.5 47.0 166.8 –18 e –16.0 45.0 –25.4 –27 e –37.2 109.0 57.5 10.5 26.4 –54.9 s –39.4 132.8 –72 e –67.8 –77.5 –7 s 12.7 –60 e 17.7 54.4 –76.7 –65.3 –8 e 47.8 77.7 79.1 53.9 –3.0 78.0 –1.6 93.8
100 kPa 109.7 99.9 93.1 38.0 12.0 127.3 61 e 102.0 98.7 –37.9 99 e 71.9 55 e 218.2 199.1 113.5 87 e –88.8 70.1 92.1 149.8 78.0 –25.1 188.6 196.9 101 e 248.9 34.7 37.0 109.3 25 e 16.4 6.6 170.6 116.6 63 e 88 e –21.4 7.4 213.6 –30.6 –27.6 –37.0 42.0 57.1 –17.9 77.0 117.8 –34.7 –23.2 45.3 118.0 142.3 149.5 107.2 52.8 140.7 46.2 159.3 247
Ref. 5 5 5 5 1 5 5 5 5 1 5 5 5 5 1 5 1 41 5 5 5 1,5 1,5 1 1 5 5 1 1,5 5 5 1 1 1 1,5 5 1 5 5 5 5 5 1 5 5 5 1 5 5 1 5 5 5 5 5 1 1 1 5 5
4/29/05 4:18:01 PM
Vapor Pressure Mol. form. C3H5Br C3H5Br C3H5Br C3H5Cl C3H5Cl C3H5Cl C3H5Cl C3H5ClO C3H5ClO2 C3H5Cl3 C3H5Cl3 C3H5Cl3Si C3H5I C3H5N C3H5NO C3H5NO C3H5NS C3H5NS C3H5N3O9 C3H6 C3H6 C3H6BrCl C3H6Br2 C3H6Br2 C3H6Cl2 C3H6Cl2 C3H6Cl2 C3H6Cl2 C3H6Cl2O C3H6N2O4 C3H6O C3H6O C3H6O C3H6O C3H6O C3H6O2 C3H6O2 C3H6O2 C3H6O2 C3H6O3 C3H6S C3H7Br C3H7Br C3H7Cl C3H7Cl C3H7ClO C3H7F C3H7I C3H7I C3H7N C3H7NO C3H7NO C3H7NO2 C3H7NO2 C3H7NO3 C3H8 C3H8O C3H8O C3H8O C3H8O2
Section6.indb 63
Name cis-1-Bromopropene 2-Bromopropene 3-Bromopropene cis-1-Chloropropene trans-1-Chloropropene 2-Chloropropene 3-Chloropropene Epichlorohydrin Methyl chloroacetate 1,1,3-Trichloropropane 1,2,3-Trichloropropane Trichloro-2-propenylsilane 3-Iodopropene Propanenitrile Acrylamide 3-Hydroxypropanenitrile Ethyl thiocyanate Ethyl isothiocyanate Trinitroglycerol Propene* Cyclopropane 1-Bromo-3-chloropropane 1,2-Dibromopropane 1,3-Dibromopropane 1,1-Dichloropropane 1,2-Dichloropropane 1,3-Dichloropropane 2,2-Dichloropropane 1,3-Dichloro-2-propanol 1,1-Dinitropropane Allyl alcohol Methyl vinyl ether Propanal Acetone Methyloxirane Propanoic acid Ethyl formate Methyl acetate 1,3-Dioxolane 1,3,5-Trioxane Thietane 1-Bromopropane 2-Bromopropane 1-Chloropropane 2-Chloropropane 2-Chloro-1-propanol 1-Fluoropropane 1-Iodopropane 2-Iodopropane Allylamine N,N-Dimethylformamide N-Methylacetamide 1-Nitropropane 2-Nitropropane Propyl nitrate Propane* 1-Propanol 2-Propanol Ethyl methyl ether 1,2-Propylene glycol
6-63 1 Pa –100 e –112 e –98 e –114 e –120 e –107 e
–51 e
–80 e –69.4 –11 e –39 e 48.6 –160.6 –51 e –46 e –30 e –78 e –65 e
–9 e –63 e
–95 –109 e
–95 e
–95 e –106 e
–133 e –78 e –89 e –39 e –13.3 s –56 e
–156.9 –54 e –65 e –98 e –11 e
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa –84 e –64 e –37 e 1.0 –95 e –75 e –47 e –9 e –80 e –58 e –28 e 12 e –100 e –81 e –55 e –20.1 –97 e –77 e –52 e –16.2 –106 e –87 e –63 e –28.7 –92 e –72.4 –46.3 –9.8 –21 e 11 e 53.8 –28 e –5 e 25 e 66.9 –31 e –5 e 28 e 75.3 2e 37 e 84.9 53.0 –62 e –39 e –8 e 36 e –55.3 –36.0 –7.9 35.2 109.6 161 e 18 e 53 e 96.1 150.3 –20 e 4e 35 e 79.1 17.4 66 e 75.7 118 e 191 e 353 e –149.0 –134.3 –114.9 –88.2 –124 e –104 e –75.7 –31 e –6 e 28 e 74.1 –26 e –2 e 31 e 75.3 –9 e 17 e 52 e 98.7 –14 e 27.0 –61 e –38.1 –8.1 33.7 –46 e –22 e 10 e 54.0 –28 e 10.8 21.8 59.0 107.6 12 e 39 e 73.2 120 e –48 e –21.9 6.8 44.5 –114 e –89 e –52.7 –69 e –42 e –6 e –81.8 –62.8 –35.6 1.3 –95 e –76 e –51.5 –17.2 0e 35.1 79.9 –80 e –61 e –35 e 1e –79 e –59 e –33 e 3.3 –72 e –50 e –22 e 17.0 53 e –62 e –40 e –9 e 32.5 –78 e –57 e –28 e 11.6 –84 e –65 e –39.6 –1.7 –90 e –71 e –44.5 –8.1 –91 e –74 e –51.1 –17.8 23 e 63.8 –120 e –103 e –80.7 –49.4 –60 e –37 e –6 e 36.9 –71 e –47 e –16.3 26.5 –88 e –65 e –37 e 0.4 –20 e 5e 38.0 83.9 13 s 43 e 83.8 136.1 –37 e –13 e 20 e 64.8 –48 e –22 e 10.7 55.6 –23.9 6.1 48.1 –145.6 –130.9 –111.4 –83.8 –38 e –16 e 10 e 47 e –49 e –28 e –1.3 33.6 –89 e –77 e –60 e –34.8 13 e 42 e 78 e 125.0
100 kPa 57.4 48.0 69.6 32.4 37.0 22.3 44.6 115.5 129.1 145.1 156.3 116.5 101.5 97.4 220.8 143.4 136 e 1007 e –47.9 –33.1 142.9 139.5 166.8 87.7 95.9 119.9 68.9 173.9 187 e 96.2 4.6 47.7 55.7 33.9 140.8 54.0 56.6 75.3 113.7 94.5 70.6 59.1 46.2 35.4 125.7 –2.8 102.0 89.2 52 e 152.6 206.3 130.8 119.8 111 e –42.3 96.9 82.0 7.0 187.2
Ref. 5 5 5 5 5 5 5 5 5 5 5 5 5 1,5 5 5 5 5 5 1,5 1 5 5 5 5 5 5 5 5 5 5 1 1 1,5 5 1,5 1 1 1 1 5 1 1,5 1 1,5 5 5 5 5 5 1 5 1 1 5 1,41 1,5 1,5 5 5
4/29/05 4:18:02 PM
Vapor Pressure
6-64 Mol. form. C3H8O2 C3H8O2 C3H8O2 C3H8O3 C3H8S C3H8S C3H8S C3H8S2 C3H9As C3H9BO3 C3H9BS C3H9ClSi C3H9N C3H9N C3H9N C3H9NO C3H9O4P C3H9P C3H9Sb C3H10N2 C3N2O C4Cl6 C4F6O3 C4F8 C4F10 C4H2Cl2O2 C4H2Cl2S C4H2O3 C4H3ClS C4H3IS C4H4 C4H4N2 C4H4O C4H4O2 C4H4O3 C4H4O4 C4H4S C4H5Cl C4H5ClO C4H5Cl3O2 C4H5N C4H5N C4H5N C4H5NO2 C4H5NS C4H5NS C4H6 C4H6 C4H6 C4H6 C4H6Cl2O2 C4H6O C4H6O C4H6O C4H6O C4H6O2 C4H6O2 C4H6O2 C4H6O2 C4H6O2
Section6.indb 64
Name 1,3-Propylene glycol Ethylene glycol monomethyl ether Dimethoxymethane Glycerol 1-Propanethiol 2-Propanethiol Ethyl methyl sulfide 1,3–Propanedithiol Trimethylarsine Trimethyl borate Methyl dimethylthioborane Trimethylchlorosilane Propylamine Isopropylamine Trimethylamine 1-Amino-2-propanol Trimethyl phosphate Trimethylphosphine Trimethylstibine 1,2-Propanediamine Carbonyl dicyanide Hexachloro-1,3-butadiene Trifluoroacetic acid anhydride Perfluorocyclobutane Perfluorobutane trans-2-Butenedioyl dichloride 2,5-Dichlorothiophene Maleic anhydride 2-Chlorothiophene 2-Iodothiophene 1-Buten-3-yne Succinonitrile Furan Diketene Succinic anhydride Fumaric acid Thiophene 2-Chloro-1,3-butadiene 2-Methyl-2-propenoyl chloride Ethyl trichloroacetate 3-Butenenitrile Methylacrylonitrile Pyrrole Methyl cyanoacetate Allyl isothiocyanate 4-Methylthiazole 1,2-Butadiene 1,3-Butadiene* 1-Butyne 2-Butyne Ethyl dichloroacetate Divinyl ether trans-2-Butenal 3-Buten-2-one Cyclobutanone cis-Crotonic acid trans-Crotonic acid 3-Butenoic acid Methacrylic acid Vinyl acetate
1 Pa 4e –57 e –93 e 96 e –94 e –102 e –94 e –53 e
–31 e
–1 e
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa 30 e 62 e 101 e 149.9 –37 e –12 e 21 e 63.8 –81 e –64 e –42 e –9.3 113 e 136 e 168 e 213.4 –78 e –57 e –29.1 9.6 –87 e –67 e –41 e –3 e –78 e –57 e –29.7 8.8 –28 e 3e 43 e 97 e –74 e –45 e –5.4 –14 e 15.6 –62 e –30.4 11.4 –37.8 0.4 –81 e –63 e –38.3 –4.1 –91 e –74 e –50.4 –17.6 –114 e –97 e –75.0 –43.8 18 e 53.2 98.2 –7 e 23.6 62.8 116.0 –81 e –53 e –15.0 –56 e –23.8 19 e –35.4 –12.0 18.8 61 e –21.7 15.3 22 e 50 e 86.7 137.0 –63 e –39 e –7.1 –122 e
–105 e 8.0 –20 e
–62 e
–35 e –25 e –96.1
24.8 s
–78 e
–82 e 45.6 22 e 73.7 2e 23 e –73.4
–49.8 94.3 81.4 127.9 51.8 94.9 –41.8
–54 e 19.3 121 e
–20 e 63.3 180.8 23.7 0.3 36.4 100.1 53.7 29.0 66.7 134.0 89 e –38.9 –51.9 –39.4 –23.9 89.1 –22.1 39.7 21 e 37.1 106.7 120.8 105.6 99.9 16.2
123.9 s
150 s
180 s
–113 e
–95 e –57 e
–67 e
–48 e
–71 e –35 e 15.3 –23.1
–3 e –45 e
19 e –27 e
–8 e 48 e –3 e
–17 e –41 e –5 e 51.9 9.3 –12 e 24 e 84 e 32.1
–132 e
–117 e
–125 e
–111 e –89.2 s
–98 e –106 e –94 e –73.8 s 2.6 –80 e –33 e
–72.8 –83 e –71.2 –53.5 s 40.1 –56 e –3 e
–34 e 30 e
–4 e 63 e 74 e 61 e 56 e –22 e
–74 e
–99 e –56 e
–19 e
2e
–88 e
–71 e
27 e 22 e –50 e
100 kPa 214.0 124.3 41.7 287 e 67.4 52.2 66.3 172.4 52.0 67.9 70.7 57.3 46.9 31.5 2.6 157.9 192.0 37.1 80 e 119 e 65.2 209.7 38.8 –6.2 –2.5 159.8 171 e 201.7 123 e 181.0 4.9 266.0 31.0 126 e 260.8 83.7 59.0 98.2 166.6 118.4 89.8 129.4 204.6 198 e 67.0 10.5 –4.7 7.8 26.6 156.3 28.0 102.4 81.0 97 e 168.9 184.9 168.6 161.5 72.2
Ref. 5 1 5 1 1,5 1 1 5 5 5 5 5 1,5 1,5 1,5 5 5 5 5 5 5 5 5 1 1,5 5 5 5 5 5 5 5 1 5 5 5 5 5 5 5 5 5 1 5 5 5 5 1 1 5 5 5 5 5 5 5 5 5 5 1
4/29/05 4:18:03 PM
Vapor Pressure Mol. form. C4H6O2 C4H6O2 C4H6O2 C4H6O3 C4H6O3 C4H6O4 C4H7Br C4H7Br C4H7Br C4H7Br C4H7Br3 C4H7Br3 C4H7Cl C4H7Cl C4H7Cl C4H7Cl C4H7ClO2 C4H7N C4H8 C4H8 C4H8 C4H8 C4H8 C4H8 C4H8Br2 C4H8Br2 C4H8Cl2 C4H8Cl2 C4H8Cl2 C4H8Cl2 C4H8Cl2O C4H8O C4H8O C4H8O C4H8O C4H8O C4H8O C4H8O2 C4H8O2 C4H8O2 C4H8O2 C4H8O2 C4H8O2 C4H8O2 C4H8O2 C4H8O2 C4H8O2S C4H8S C4H9Br C4H9Br C4H9Br C4H9Br C4H9Cl C4H9Cl C4H9Cl C4H9Cl C4H9Cl3Si C4H9F C4H9F C4H9I
Section6.indb 65
Name Methyl acrylate 2,3-Butanedione gamma-Butyrolactone Acetic anhydride Propylene carbonate Dimethyl oxalate trans-1-Bromo-1-butene 2-Bromo-1-butene cis-2-Bromo-2-butene trans-2-Bromo-2-butene 1,2,3-Tribromobutane 1,2,4-Tribromobutane 3-Chloro-1-butene cis-2-Chloro-2-butene trans-2-Chloro-2-butene 3-Chloro-2-methylpropene Ethyl chloroacetate Butanenitrile 1-Butene cis-2-Butene trans-2-Butene Isobutene Cyclobutane Methylcyclopropane 1,2-Dibromobutane 1,4-Dibromobutane 1,1-Dichlorobutane 1,2-Dichlorobutane 1,4-Dichlorobutane 2,2-Dichlorobutane Bis(2-chloroethyl) ether Ethyl vinyl ether 1,2-Epoxybutane Butanal Isobutanal 2-Butanone Tetrahydrofuran Butanoic acid 2-Methylpropanoic acid Propyl formate Isopropyl formate Ethyl acetate Methyl propanoate cis-2-Butene-1,4-diol 1,3-Dioxane 1,4-Dioxane Sulfolane Tetrahydrothiophene 1-Bromobutane 2-Bromobutane 1-Bromo-2-methylpropane 2-Bromo-2-methylpropane 1-Chlorobutane 2-Chlorobutane 1-Chloro-2-methylpropane 2-Chloro-2-methylpropane Butyltrichlorosilane 1-Fluorobutane 2-Fluorobutane 1-Iodobutane
6-65 1 Pa
–44 e –40 e –87 e –87 e –90 e –86 e 0e –3 e –100 e –102 e
–67 e –139.0 –131.2 –139.1 –130 e –54 e –13 e
–32 e –135 e –88 e –85 e –94 e –30.1 –78 e –80 e –83 e –80 e 17 e
–66 e –68.4 –86 e –85 e –87 e –96 e –94 e
–114 e –117 e –62 e
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa –71 e –48 e –18 e 22 e 30.7 –17 e 24 e 72 e 130.2 –25 e –1 e 31 e 75.1 –5 e 43 e 112 e 220 e 50.5 98.1 –68 e –43.3 –11.4 31.9 –70 e –48 e –20 e 20.7 –72 e –49.0 –18.5 23.5 –67 e –43.4 –12.0 31.0 23 e 53 e 91 e 143.7 20 e 49 e 87 e 139.4 –64 e –36 e 4e –83 e –62 e –34 e 6e –86 e –65 e –37 e 3e –75 e –54 e –25 e 13.8 –2.6 32.6 79.1 –48 e –24 e 8e 52.3 –125.2 –107.8 –85.3 –53.7 –117.4 –99.8 –76.7 –44.8 –102 e –80 e –47.6 –125.5 –108.2 –85.5 –54.5 –71.8 –38.1 –116 e –99.3 –76.3 –44.2 –30 e 0.4 39.6 92.1 9e 37 e 74 e 124.0 –25 e 6e 49.3 –28.4 5.8 53.1 –26 e 0e 35 e 82.4 –58 e –35 e –5 e 37.8 –9 e 19.8 56.9 106.9 –102 e –81 e –53.1 –16.5 –114 e –87 e –53 e –5.5 –72 e –50 e –22 e 16.6 –56 e –29 e 8e –68 e –46 e –18.1 21.2 –78 e –57.3 –29.8 9e 12.9 52.2 101.4 –8.2 18.1 50.5 92.9 –62 e –42 e –15.1 23.0 –65 e –47 e –22.2 13.2 –66 e –45 e –18 e 20.4 –64 e –43 e –15.8 22.2 44 e 77 e 117.4 168.5 –37 e –3 e 43.4 39.6 49 e 87 e 135 e 198.0 –47 e –23 e 9.4 54.1 –53.9 –34.1 –5.4 37.6 –68 e –46 e –16 e 26.6 –68 e –46 e –16 e 26.8 11.7 –71 e –49 e –21 e 18.4 –80 e –59 e –31.0 8.5 –78 e –56.6 –28.7 10.2 –4.2 77.2 –99 e –80 e –55 e –20.0 –103 e –85 e –60.7 –26.7 –43 e –19 e 14 e 60.5
100 kPa 79.9 84.8 203 e 139.7 410 e 163.0 94.4 80.6 85.2 93.5 219.5 214.5 63.6 66.4 62.2 71.5 143.8 117.2 –6.6 3.4 0.6 –7.3 12.1 4.2 166.1 196.5 113.4 123.1 153.4 102.1 177.9 34.7 62.1 74.5 63.8 79.2 65.6 163.3 154.0 80.4 67.7 76.8 79.0 234.9 106.0 101.0 283.5 120.5 101.1 90.7 91.1 72.4 78.1 67.9 68.5 50.3 148.4 32.1 24.7 130.0
Ref. 5 5 5 1 5 5 5 5 5 5 5 5 5 5 5 5 5 1 1,5 1,5 1 1,5 5 5 5 5 5 5 5 5 5 5 5 1,5 1 1 1 1,5 5 1,5 5 1 1 5 5 1 5 1 1,5 5 5 1,5 1 1 5 5 5 5 5 5
4/29/05 4:18:05 PM
Vapor Pressure
6-66 Mol. form. C4H9I C4H9I C4H9I C4H9N C4H9NO C4H9NO C4H9NO C4H9NO C4H9NO3 C4H10 C4H10 C4H10O C4H10O C4H10O C4H10O C4H10O C4H10O C4H10O C4H10O2 C4H10O2 C4H10O2 C4H10O2 C4H10O2 C4H10O2 C4H10O2 C4H10O2S C4H10O3 C4H10O4S C4H10S C4H10S C4H10S C4H10S C4H10S C4H10S C4H10S C4H10S2 C4H10S2 C4H11N C4H11N C4H11N C4H11N C4H11N C4H11NO C4H11NO2 C4H12BN C4H12Cl2OSi2 C4H12O4Si C4H12Si C4H12Sn C4H13N3 C4NiO4 C5F12 C5FeO5 C5H4ClN C5H4O2 C5H5N C5H6 C5H6N2 C5H6O
Section6.indb 66
Name 2-Iodobutane 1-Iodo-2-methylpropane 2-Iodo-2-methylpropane Pyrrolidine N-Methylpropanamide N,N-Dimethylacetamide 2-Butanone oxime Morpholine Isobutyl nitrate Butane* Isobutane* 1-Butanol 2-Butanol 2-Methyl-1-propanol 2-Methyl-2-propanol Diethyl ether Methyl propyl ether Isopropyl methyl ether 1,3-Butanediol 1,4-Butanediol 2,3-Butanediol Ethylene glycol monoethyl ether Ethylene glycol dimethyl ether Dimethylacetal Diethylperoxide Bis(2-hydroxyethyl) sulfide Diethylene glycol Diethyl sulfate 1-Butanethiol 2-Butanethiol 2-Methyl-1-propanethiol 2-Methyl-2-propanethiol Diethyl sulfide Methyl propyl sulfide Isopropyl methyl sulfide 1,4-Butanedithiol Diethyl disulfide Butylamine sec-Butylamine tert-Butylamine Isobutylamine Diethylamine N,N-Dimethylethanolamine Diethanolamine (Dimethylamino)dimethyl-borane 1,3-Dichloro-1,1,3,3tetramethyldisiloxane Tetramethyl silicate Tetramethylsilane Tetramethylstannane Diethylenetriamine Nickel carbonyl Perfluoropentane Iron pentacarbonyl 2-Chloropyridine Furfural Pyridine 1,3-Cyclopentadiene Pentanedinitrile 2-Methylfuran
1 Pa –70 e –75.1 s
–8 e
–134.3 –37 e –50 e –39 e –111 e
–4 e
–49 e –89 e
35 e –77 e –86 e
–80 e –78 e –85 e –17 e –46 e
–85 e –52 e 53 e
–10 e
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa –51 e –27 e 5e 50 e –47 e –21.4 12.0 56.8 –58.8 s –39.5 s -5.2 41 e –59 e –38 e –10 e 28.5 81.1 105 e 8e 28.0 56.4 98.2 –18 e 7e 38.9 81.9 21 e 64.5 –18 e 15.1 59.2 –121.0 –103.9 –81.1 –49.1 –129.0 –113.0 –90.9 –59.4 –20 e 0e 28 e 64 e –34 e –14 e 12.6 48.2 –24 e –5 e 20.9 56.0 34.4 –96 e –77 e –52.6 –17.8 –40 e –11.3 –56 e –21.2 23 e 55 e 94 e 142.9 45 e 77 e 116 e 164.7 15 e 43 e 77 e 121.2 –29 e –3 e 30 e 73.6 –44 e –15 e 25.2 –74 e –55 e –29 e 7.7 –39 e 3.6 31 e 114.2 58 e 86 e 123 e 173.6 3e 36 e 79 e 134 e –59 e –37 e –6 e 35.4 –69 e –47 e –17 e 23.4 –66 e –44 e –15 e 26.5 5.8 –62 e –40 e –10.8 30.3 –61 e –38 e –8 e 33.1 –68 e –46 e –17 e 23.4 5e 32 e 69.1 119.9 –26 e 0e 35 e 82.4 –46 e –18.1 20.0 –55 e –29.1 7.5 –67 e –42.4 –8.1 –70 e –50 e –24.5 12.0 –46 e –26 e 5e –31 e –6 e 27 e 70.9 77 e 107 e 146 e 197.3 –81 e –60.1 –31.9 7.0 –33 e –9 e 23.8 69.1
13 e
–26 e
–8 e
24.1
52 e
–83 e –55.0 43 e
14.4 –59 e –25.6 80 e
7.4 16 e –23 e –77 e 85 e –66 e
–54.7 0 45.8 47 e 8e –51 e 126 e –35 e
59.3 –25 e 16.6 129.6 –12 –20.9 44 97.3 92.4 51.0 –14 e 178 e 6e
100 kPa 119.5 120.0 100.0 86.2 165.7 142.9 128.5 123.0 –0.8 –12.0 117.4 99.2 107.6 82.1 34.1 38.7 30.4 206.1 227.6 180.3 135.3 85.2 64.1 65.0 282.0 245.2 208.3 98.0 84.5 88.1 63.8 91.7 95.1 84.3 195.1 153.5 75.9 62.3 43.7 67.3 55.2 133 e 268 e 64.2 136.5
Ref. 5 5 5 1 5 1 5 1 5 1,41 1,41 1 1,5 1,5 1,5 1 5 5 5 5 5 1 1 5 5 5 1 5 5 5 5 5 1 5 5 5 5 5 5 5 5 1 5 5 5 5
119.7 26.7 77.7 198 e 42 28.6 105 169.9 161.4 114.9 39.8 245 e 64.5
5 5 5 5 4 5 4 5 1 1 5 5 1
4/29/05 4:18:06 PM
Vapor Pressure Mol. form. C5H6O2 C5H6S C5H6S C5H7N C5H7NO2 C5H8 C5H8 C5H8 C5H8 C5H8 C5H8 C5H8 C5H8 C5H8 C5H8 C5H8 C5H8 C5H8O C5H8O C5H8O C5H8O C5H8O2 C5H8O2 C5H8O2 C5H8O2 C5H8O2 C5H8O2 C5H8O3 C5H8O4 C5H8O4 C5H9ClO2 C5H9ClO2 C5H9N C5H9N C5H9NO C5H10 C5H10 C5H10 C5H10 C5H10 C5H10 C5H10 C5H10 C5H10 C5H10 C5H10Br2 C5H10Cl2 C5H10Cl2 C5H10N2 C5H10O C5H10O C5H10O C5H10O C5H10O C5H10O C5H10O C5H10O C5H10O2 C5H10O2 C5H10O2
Section6.indb 67
Name Furfuryl alcohol 2-Methylthiophene 3-Methylthiophene 1-Methylpyrrole Ethyl cyanoacetate 1,2-Pentadiene cis-1,3-Pentadiene trans-1,3-Pentadiene 1,4-Pentadiene 2,3-Pentadiene 3-Methyl-1,2-butadiene 2-Methyl-1,3-butadiene 1-Pentyne 2-Pentyne 3-Methyl-1-butyne Cyclopentene Spiropentane 3-Methyl-3-buten-2-one Cyclopropyl methyl ketone Cyclopentanone 3,4-Dihydro-2H-pyran 4-Pentenoic acid Vinyl propanoate Ethyl acrylate Methyl methacrylate 2,4-Pentanedione Tetrahydro-2H-pyran-2-one Methyl acetoacetate Glutaric acid Dimethyl malonate Ethyl 2-chloropropanoate Isopropyl chloroacetate Pentanenitrile 2,2-Dimethylpropanenitrile N-Methyl-2-pyrrolidone 1-Pentene cis-2-Pentene trans-2-Pentene 2-Methyl-1-butene 3-Methyl-1-butene 2-Methyl-2-butene Cyclopentane Ethylcyclopropane cis-1,2-Dimethylcyclo-propane trans-1,2-Dimethylcyclo-propane 1,5-Dibromopentane 1,2-Dichloropentane 1,5-Dichloropentane 3-(Dimethylamino)-propanenitrile Cyclopentanol Allyl ethyl ether Pentanal 2-Pentanone 3-Pentanone 3-Methyl-2-butanone Tetrahydropyran 2-Methyltetrahydrofuran Pentanoic acid 2-Methylbutanoic acid 3-Methylbutanoic acid
6-67 1 Pa –30 e
16 e –109 e –109 e –120 e –106 e –111 e –115 e –100 e –109 e –110 e
0e
–22 e
–54 e 1e –118.9 –113.8 –114.5 –117.7 –125.0 –113.4 –118 e –118 e –122 e 1e –31 e
–71 e
–69 e
–7.4 –10 e –15.8
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa –5 e 25 e 62.6 109.3 –58 e –32 e 2e 47.9 –53 e –28 e 6e 50.6 8e 49.9 39 e 67.0 102.1 146.7 –93 e –73 e –46.1 –9.7 –93 e –73 e –47.0 –10.5 –75 e –49.0 –13 e –105 e –86 e –60.9 –26.2 –90 e –70 e –42.9 –6.3 –95 e –75 e –49.2 –13.1 –100 e –81 e –55.4 –19.7 –75 e –49.1 –13.5 –85 e –65 e –37.9 –0.5 –82 e –57.5 –23.1 –94 e –74 e –48 e –11.1 –95 e –76 e –51 e –15 e –35 e –5 e 36.0 –57 e –31 e 3e 49 e –39 e –14 e 19 e 64 e –22 e 22.0 19 e 44 e 77 e 122.0 31.2 –55 e –32.7 –2.8 38.5 –31 e –1 e 39.7 –5 e 24.7 67.8 5e 35.1 74.4 128.3 50.1 101.1 121 e 153.2 191.9 240.3 1e 30.0 66.7 114.7 1.4 36.4 82.5 –2 e 35.0 83.3 –34 e –8 e 26 e 72.2 41.1 24 e 53.1 92.3 147.2 –103.4 –84.0 –58.8 –23.3 –98.1 –78.4 –52.7 –16.8 –98.9 –79.1 –53.3 –17.5 –102.2 –82.7 –57.2 –21.9 –110.1 –91.2 –66.7 –32.1 –97.6 –77.7 –51.6 –15.8 –77.0 –45.4 –7.1 –102 e –83 e –57 e –20 e –103 e –83 e –57 e –20 e –108 e –89 e –63 e –27 e 25 e 54 e 93 e 145.6 30 e 77.4 –10 e 17 e 54 e 104.1 51.1 101.8 –13 e 11.5 42.2 82.5 –56 e –28.7 9.8 –53 e –31 e –1 e 40.8 –1 e 40.3 –31 e –1 e 40 e –54 e –34 e –6.9 32.2 –15 e 26.0 –20 e 19.7 15.3 42.7 76.3 122.1 10 e 36 e 69 e 112.8 4e 30.0 64.7 110.6
100 kPa 169.7 112.2 115.1 112.3 205.6 44.5 43.7 42 e 25.6 47.9 40.4 33.7 39.9 55.7 28.6 43.8 38.6 97.3 112 e 130.3 84.9 187.5 94 e 99.2 100.0 137.4 207.0 171.3 302.5 180.2 146.0 148.1 140.9 104.8 229 e 29.6 36.6 36.0 30.8 19.7 38.2 48.8 35.5 36.6 27.8 221.8 147.8 178.9 171.4 140.0 67.2 102.6 101.9 101.6 94.0 88 e 79.8 185.7 175.2 176.1
Ref. 5 1 1 5 5 5 1,5 1 5 5 5 1,5 5 5 5 5 5 5 5 1 5 5 5 5 1 1 5 5 5 5 5 5 1 5 5 1,5 1,5 1,5 1,5 1,5 1,5 5 5 5 5 5 5 5 5 5 5 5 1,5 1 1,5 5 5 5 5 5
4/29/05 4:18:07 PM
Vapor Pressure
6-68 Mol. form. C5H10O2 C5H10O2 C5H10O2 C5H10O2 C5H10O2 C5H10O2 C5H10O2 C5H10O2 C5H10O3 C5H10O3 C5H10S C5H10S C5H11Br C5H11Br C5H11Br C5H11Br C5H11Cl C5H11Cl C5H11Cl C5H11Cl C5H11Cl C5H11F C5H11I C5H11I C5H11N C5H11N C5H11N C5H11NO3 C5H12 C5H12 C5H12 C5H12N2O C5H12O C5H12O C5H12O C5H12O C5H12O C5H12O C5H12O C5H12O C5H12O C5H12O C5H12O C5H12O2 C5H12O2 C5H12O2 C5H12O3 C5H12S C5H12S C5H12S C5H12S C5H12S C5H12S C5H12S C5H12S C5H12S C5H12S C5H13N C6BrF5 C6ClF5
Section6.indb 68
Name Butyl formate Isobutyl formate Propyl acetate Isopropyl acetate Ethyl propanoate Methyl butanoate Methyl isobutanoate Tetrahydrofurfuryl alcohol Diethyl carbonate Ethylene glycol monomethyl ether acetate Thiacyclohexane Cyclopentanethiol 1-Bromopentane 2-Bromopentane 3-Bromopentane 1-Bromo-3-methylbutane 1-Chloropentane 2-Chloropentane 3-Chloropentane 2-Chloro-2-methylbutane 1-Chloro-2,2-dimethyl-propane 1-Fluoropentane 1-Iodopentane 1-Iodo-3-methylbutane Cyclopentylamine Piperidine N-Methylpyrrolidine 3-Methylbutyl nitrate Pentane** Isopentane Neopentane* Tetramethylurea 1-Pentanol 2-Pentanol 3-Pentanol 2-Methyl-1-butanol 3-Methyl-1-butanol 2-Methyl-2-butanol 3-Methyl-2-butanol 2,2-Dimethyl-1-propanol Butyl methyl ether Methyl tert-butyl ether Ethyl propyl ether 1,5-Pentanediol Ethylene glycol monopropyl ether Diethoxymethane Diethylene glycol monomethyl ether 1-Pentanethiol 2-Pentanethiol 3-Pentanethiol 2-Methyl-1-butanethiol 3-Methyl-1-butanethiol 2-Methyl-2-butanethiol Butyl methyl sulfide tert-Butyl methyl sulfide Ethyl propyl sulfide Ethyl isopropyl sulfide Pentylamine Bromopentafluorobenzene Chloropentafluorobenzene
1 Pa –69 e –69 e –69 e –68 e –83 e –40 e –47 e
–60 e –69 e –68 e –67 e –73 e –80 e –77 e
–97 e –47 e –66 e
–115.5 –119 e
–27 e –35 e –41 e –27 e –22 e
–92 e 25 e
–60 e –70 e –70 e
–64 e –72 e
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa –29 e 2e 44.4 –53 e –31 e –3 e 37.4 –51 e –29 e 0e 40.9 –61 e –40 e –11 e 29.8 –52 e –30 e –1 e 38.9 –50 e –28 e 0.9 41.7 –65 e –41 e –11 e 31 e –16 e 15 e 55 e 106 e –42 e –17 e 17 e 61.6 –26 e 0e 34 e 79.4 24 e 71.1 18 e 64 e –41 e –16 e 16 e 61.5 –51 e –27 e 5e 49.7 –50 e –26 e 6e 50.8 –49 e –25 e 8e 52.4 –55 e –32 e –1 e 42.5 –62 e –39 e –9 e 33.2 –60 e –37 e –7 e 34.9 –52 e –21 e 21.8 –17 e 23.5 –80 e –60 e –32 e 5.7 –27 e –1 e 34 e 83.0 –34 e –6.6 28.8 77.3 –48 e –26 e 4e 45.8 2e 43.3 –23 e 18.5 –26 e 1.0 35.5 81.7 –99.8 –80.0 –54.0 –18.1 –105 e –86 e –61 e –26 e –107.5 s –90.8 s –68.8 s –38.5 s 20.7 58.0 106.7 –10 e 12 e 41 e 79.8 –19 e 1e 28.0 64.9 –25 e –4 e 24 e 61.1 –11 e 9e 36.2 73.4 –7 e 13 e 39.1 75.7 –5 e 17.7 50.6 –3 e 22.7 58.2 59.2 –54 e –27 e 12 e –66 e –39 e –2 e –77 e –57 e –30.5 6.7 52 e 85 e 125 e 175.1 40 e 85.6 –65 e –43 e –14 e 27.3 12 e 40 e 76 e 124.2 –41 e –17 e 15 e 60 e –52 e –28 e 3e 46.6 –51 e –28 e 4e 47.7 8.0 52.3 7.8 51.9 –8.0 34.6 –43 e –19 e 13 e 57 e –7.8 34.7 –46 e –23 e 9e 52.7 –54 e –31 e 0e 42.7 –52 e –29 e 1e 42.8 –10 e 23 e 68 e –44 e –21 e 11 e 53.8
100 kPa 105.7 97.6 101.2 88.2 98.7 102.3 92.1 176.8 125.9 144.1 141.2 131.7 129.1 116.9 118.1 119.9 107.9 96.1 97.3 85.2 83.9 62.4 156.5 147.8 108 e 105.8 78 e 147.0 35.7 27.5 9.2 179.5 137.4 118.7 114.9 128.3 130.1 101.7 111.1 112.7 69.8 54.8 63.4 238.9 149.3 87.7 193.7 126.2 111.9 113.4 118.5 117.9 98.7 123.0 98.4 118.0 106.9 104.0 136.0 117.6
Ref. 5 5 1 5 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 16 1 1,5 5 5 1 5 1 5 1,5 5 5 1 1 1,5 5 5 5 1 1 5 5 5 5 5 1 5 5 5 5 5 1
4/29/05 4:18:09 PM
Vapor Pressure Mol. form. C6Cl3F3 C6F6 C6F12 C6F14 C6F14 C6F14 C6F14 C6HF5 C6HF5O C6H2F4 C6H2F4 C6H2F4 C6H3Cl3O C6H3F3 C6H4Br2 C6H4ClNO2 C6H4Cl2 C6H4Cl2 C6H4Cl2 C6H4O2 C6H5AsCl2 C6H5Br C6H5Cl C6H5ClO C6H5ClO C6H5ClO C6H5Cl3Si C6H5F C6H5I C6H5NO2 C6H5NO3 C6H6 C6H6 C6H6ClN C6H6ClN C6H6N2O2 C6H6O C6H6O3 C6H6S C6H7N C6H7N C6H7N C6H7N C6H8 C6H8 C6H8 C6H8N2 C6H8N2 C6H8N2 C6H8O4 C6H8S C6H10 C6H10 C6H10 C6H10 C6H10 C6H10 C6H10 C6H10 C6H10
Section6.indb 69
Name 1,3,5-Trichloro-2,4,6-trifluorobenzene Hexafluorobenzene Perfluorocyclohexane Perfluorohexane Perfluoro-2-methylpentane Perfluoro-3-methylpentane Perfluoro-2,3-dimethylbutane Pentafluorobenzene Pentafluorophenol 1,2,3,4-Tetrafluorobenzene 1,2,3,5-Tetrafluorobenzene 1,2,4,5-Tetrafluorobenzene 2,4,6-Trichlorophenol 1,3,5-Trifluorobenzene m-Dibromobenzene 1-Chloro-4-nitrobenzene o-Dichlorobenzene m-Dichlorobenzene p-Dichlorobenzene p-Benzoquinone Dichlorophenylarsine Bromobenzene Chlorobenzene o-Chlorophenol m-Chlorophenol p-Chlorophenol Trichlorophenylsilane Fluorobenzene Iodobenzene Nitrobenzene p-Nitrophenol 1,5-Hexadien-3-yne Benzene** o-Chloroaniline m-Chloroaniline p-Nitroaniline Phenol 1,2,3-Benzenetriol Benzenethiol Aniline 2-Methylpyridine 3-Methylpyridine 4-Methylpyridine cis-1,3,5-Hexatriene 1,3-Cyclohexadiene 1,4-Cyclohexadiene Adiponitrile m-Phenylenediamine Phenylhydrazine Dimethyl maleate 2,5-Dimethylthiophene trans-1,3-Hexadiene trans-1,4-Hexadiene 1,5-Hexadiene cis,cis-2,4-Hexadiene trans,cis-2,4-Hexadiene trans,trans-2,4-Hexadiene trans-2-Methyl-1,3-pentadiene 2,3-Dimethyl-1,3-butadiene 1-Hexyne
6-69 1 Pa –19 e
–95 e
–7 e 15.4 s
–45.5 s –4.1 s 6.9
–30 e 72.6 s –82 e
–5 e 87.8 s –9.7 s
–56.5 –58.2 s –88 e 30 e
–86 e –98 e –99 e –89 e –92 e –91 e
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa 4e 32 e 70 e 121.7 –56.9 s –36 s –11.5 s 22.6 –46.2 s –7.6 s –75 e –57 e –32 e 2.8 –33 e 2.9 –80 e –60 e –34 e 2.8 4.3 –41 e –13 e 27 e 39 e 82 e –36 e –7 e 33.8 –43 e –14 e 25.5 30.7 71.8 114.0 169.5 18.2 16 e 44 e 83 e 137.0 35.8 s 97 e 156.0 –13 e 16.3 53.9 104.6 –22 e 8.0 46.7 97.8 –21.8 s 8s 46.7 s 99.0 17.8 s 43.5 s 74.3 s 111.6 s 35.2 70 e 113 e 170 e –25 e 1e 34.9 83.1 –43 e –17 e 16.8 62.9 45.8 97.9 39.7 80.2 135.1 45.0 86.5 142.0 33 e 70.2 122.6 –16.9 24.2 –7 e 20.9 58.5 110.6 10 e 40 e 78 e 132 e 97.4 s –66 e –44.3 –16.0 23.7 –40 s –15.1 s 20.0 10 e 39.0 75.2 131.4 19.7 49.4 94.2 162 e 192.0 252.6 9.6 s 34.1 s 68.9 113.7 162.0 222.8 –15 e 12 e 47 e 96.0 –2.5 26.7 63.5 112.5 –37.8 –13.9 18.3 62.9 –5 e 28.8 75.2 –43.1 s –3.9 s 29.6 76.1 21 e –71 e –50 e –21 e 19 e –15 e 27.3 61 e 100 e 148.6 211.8 94.5 140.2 200.8 38 e 69 e 109 e 163.9 5e 36 e 76 e 127.3 –43 e –16 e 20 e 67.5 –70 e –51 e –24 e 14 e –81 e –60 e –33 e 7e –84 e –64 e –37 e 0.9 18 e –73 e –52 e –23 e 18 e –23 e 18 e –75 e –54 e –26 e 14 e –59 e –30 e 9.7 –75 e –54 e –26 e 12.8
100 kPa 197.9 79.9 48.9 s 56.8 57.1 57.9 59.3 85.3 145.2 94.0 84.1 89.9 245.7 75.0 218.2 238 e 180.0 172.5 173.6 245 e 155.4 131.3 173.9 213.4 219.9 201 e 84.4 187.8 210.3 83.6 79.7 208.3 1069 e 331.2 181.4 308.3 168.6 183.5 129.0 143.7 144.9 78 e 79.9 85.0 297 e 285.0 242.5 197 e 134.8 72 e 65 e 59.2 79.6 79.6 79.6 75.6 68.1 71.0
Ref. 1 1,5 5 5 5 5 5 5 5 1 1 1 5 5 5 5 1,5 1,5 1,5 5 5 1 1,5 5 5 5 5 1 1 1 5 5 1,5 5 5 5 1,5 5 5 1,5 1,5 1 1,5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5
4/29/05 4:18:10 PM
Vapor Pressure
6-70 Mol. form. C6H10 C6H10 C6H10 C6H10 C6H10 C6H10Cl2 C6H10Cl2 C6H10O C6H10O C6H10O C6H10O2 C6H10O2 C6H10O2 C6H10O3 C6H10O3 C6H10O4 C6H10O4 C6H10O4 C6H10S C6H11Cl C6H11N C6H11N C6H11NO C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12Cl2 C6H12Cl2O C6H12O C6H12O C6H12O C6H12O C6H12O C6H12O C6H12O C6H12O C6H12O C6H12O C6H12O2 C6H12O2
Section6.indb 70
Name 2-Hexyne 3-Hexyne 4-Methyl-1-pentyne 4-Methyl-2-pentyne Cyclohexene 1,1-Dichlorocyclohexane cis-1,2-Dichlorocyclohexane 4-Methyl-4-penten-2-one Cyclohexanone Mesityl oxide Vinyl butanoate Ethyl methacrylate Allyl glycidyl ether Ethyl acetoacetate Propanoic anhydride Diethyl oxalate Dimethyl succinate Ethylene glycol diacetate Diallylsulfide Chlorocyclohexane Hexanenitrile 4-Methylpentanenitrile Caprolactam 1-Hexene cis-2-Hexene trans-2-Hexene cis-3-Hexene trans-3-Hexene 2-Methyl-1-pentene 3-Methyl-1-pentene 4-Methyl-1-pentene 2-Methyl-2-pentene 3-Methyl-cis-2-pentene 3-Methyl-trans-2-pentene 4-Methyl-cis-2-pentene 4-Methyl-trans-2-pentene 2-Ethyl-1-butene 2,3-Dimethyl-1-butene 3,3-Dimethyl-1-butene 2,3-Dimethyl-2-butene Cyclohexane Methylcyclopentane Ethylcyclobutane Isopropylcyclopropane 1-Ethyl-1-methylcyclopropane 1,1,2-Trimethylcyclopropane 1,2-Dichlorohexane 2,2´-Dichlorodiisopropyl ether Butyl vinyl ether Isobutyl vinyl ether Hexanal 2-Hexanone 3-Hexanone 3-Methyl-2-pentanone 4-Methyl-2-pentanone 2-Methyl-3-pentanone 3,3-Dimethyl-2-butanone Cyclohexanol Hexanoic acid 4-Methylpentanoic acid
1 Pa –84 e –86 e –97 e –91 e –87 e –39 e –59 e –56 e
–25 e –32 e –5 e –17 e –58 e –40 e 36.8 s –99.8 –97 e –94 e –96 e –95 e –98 e –104 e –105 e –95 e –95 e –93 e –102 e –100 e –98 e –103 e –110 e –85.6 s –97 e –99 e –104 e –105 e –109 e
–87 e –87 e –56 e –43 e
–61 e
36 e
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa –67 e –46 e –17 e 23.6 –69 e –48 e –19.1 21.0 –81 e –61 e –34 e 4.1 –74 e –54 e –26 e 13.8 –70 e –49 e –19 e 21 e –19 e 8e 43 e 93.5 27 e 69 e 125.7 –41 e –17 e 14 e 57.0 –25 e 1e 36 e 84 e –37 e –13 e 19 e 63.5 53 e 8e 53.2 40.1 85.7 –3 e 25.7 62.3 111.3 –15 e 6e 36 e 77.6 18 e 44.9 79.4 124.3 30 e 70.4 123.3 6e 35.0 71.9 121.1 –38 e –12.4 21.7 68.8 –35 e –9 e 25 e 71.6 –19 e 8e 43 e 91.5 –50 e –20 e 20 e 75.2 58.9 s 86.6 s –82.8 –61.4 –33.7 5.2 –80 e –58 e –30 e 9.9 –78 e –57 e –30 e 9.3 –79 e –59 e –30.8 7.9 –79 e –58 e –30.0 8.8 –82 e –62 e –34.2 4.1 –88 e –68 e –41.5 –3.6 –89 e –69 e –41.6 –3.6 –78 e –58 e –30 e 9.0 –79 e –58 e –30 e 8.9 –77 e –55 e –27.4 11.7 –86 e –66 e –38.7 –0.9 –84 e –64 e –36.8 1.2 –81 e –60 e –32 e 6.6 –87 e –67 e –39.9 –1.9 –95 e –76 e –50.8 –14.5 –75 e –54 e –25 e 14 e –68.9 s –47.6 s –19.8 s 19.3 –80 e –58 e –28.8 11.6 –82 e –61 e –32 e 9e –88 e –68 e –40 e –1 e –89 e –69 e –41 e –3 e –94 e –73 e –46 e –7 e 49 e 98.1 –1 e 27.3 63.4 112.3 –67 e –42 e –9.3 33.6 –68 e –44 e –13 e 26.5 –37 e –13 e 19 e 62.6 –21 e 4.2 34.5 61.9 –40 e –16 e 15 e 58.5 8.5 52.7 –43 e –21 e 9e 51.5 50.2 –30 e 0e 42.5 34 e 61 e 99.2 33 e 59 e 93 e 139.3 49 e 67.1 92.9 133.6
100 kPa 84.1 81.0 60.7 72.7 82.6 170.5 206.2 121.0 155.2 129.3 114.5 116.8 152.8 180.2 142.9 185.2 195.4 190.0 138.1 142.1 163.2 155.2 270 63.1 68.5 67.5 66.0 66.7 61.7 53.8 53.5 66.9 67.3 70.0 56.0 58.2 64.3 55.2 40.8 72.9 80.4 71.4 70.2 57.9 56.3 52.0 171.7 182.1 93.2 80.7 127.8 127.2 123.1 117.0 116.1 113.0 105.7 160.7 204.5 206.8
Ref. 5 1,5 5 5 1 5 5 5 1 5 5 5 5 5 5 5 5 5 5 5 1,5 5 5 1,5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 1 1,5 1,5 5 5 5 5 5 5 5 5 5 1,5 1 5 5 5 1 1 1 5
4/29/05 4:18:11 PM
Vapor Pressure Mol. form. C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O3 C6H12O3 C6H12S C6H12S C6H12S C6H13Br C6H13Cl C6H13F C6H13I C6H13N C6H14 C6H14 C6H14 C6H14 C6H14 C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O2 C6H14O2 C6H14O2 C6H14O2 C6H14O3 C6H14O3 C6H14O3 C6H14O3 C6H14O3 C6H14O4 C6H14S C6H14S C6H14S C6H14S C6H14S C6H14S C6H15N C6H15N
Section6.indb 71
Name Diethylacetic acid Isopentyl formate Butyl acetate Isobutyl acetate Propyl propanoate Ethyl butanoate Ethyl 2-methylpropanoate Methyl pentanoate Methyl isopentanoate Diacetone alcohol Ethylene glycol monoethyl ether acetate Paraldehyde Cyclohexanethiol cis-Tetrahydro-2,5-dimethylthiophene Tetrahydro-3-methyl-2H-thiopyran 1-Bromohexane 1-Chlorohexane 1-Fluorohexane 1-Iodohexane Cyclohexylamine Hexane 2-Methylpentane 3-Methylpentane 2,2-Dimethylbutane 2,3-Dimethylbutane 1-Hexanol 2-Hexanol 3-Hexanol 2-Methyl-1-pentanol 4-Methyl-1-pentanol 2-Methyl-2-pentanol 3-Methyl-2-pentanol 4-Methyl-2-pentanol 2-Methyl-3-pentanol 3-Methyl-3-pentanol 2-Ethyl-1-butanol 3,3-Dimethyl-1-butanol 2,3-Dimethyl-2-butanol Dipropyl ether Diisopropyl ether Butyl ethyl ether tert-Butyl ethyl ether 2-Methyl-2,4-pentanediol Ethylene glycol monobutyl ether 1,1-Diethoxyethane Ethylene glycol diethyl ether 1,2,6-Hexanetriol Dipropylene glycol Diethylene glycol monoethyl ether Diethylene glycol dimethyl ether Trimethylolpropane Triethylene glycol 1-Hexanethiol 2-Hexanethiol Dipropyl sulfide Diisopropyl sulfide Isopropyl propyl sulfide Butyl ethyl sulfide Hexylamine Butylethylamine
6-71 1 Pa –9 e –60 e –63 e –63 e –62 e –49 e –65 e
–41 e –25 e
–53 e –48 e –45 e –55 e –80 e –33 e –96.4 s –100 e –99 e –103 e –28 e –43 e
–29 e –43 e
–37 e –80 e –78 e –90 e –8 e –31 e –68 e 92 e
–42 e 73 e 44 e –45 e –50 e –50 e –65 e –49 e
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa 16 e 46 e 83 e 130.7 –41 e –17 e 15 e 59.1 –43 e –19 e 14 e 61.0 –45 e –21 e 10 e 53.4 –42 e –18 e 14 e 58.3 –34 e –14 e 14.3 55.2 –47 e –24.6 5.4 47.3 19.2 63.7 53.3 –17 e 13 e 50.1 98.5 –8 e 14 e 44.6 88.0 17 e 62.2 84.8 –34 e –8 e 25 e 72.0 –27 e 0e 35 e 84.1 –25 e 2e 36 e 83.7 –36 e –11 e 21 e 66.7 –62 e –40 e –11 e 30.4 –11 e 16 e 53 e 104.0 –9 e 22 e 66.6 –79.2 –57.6 –29.3 9.8 –84 e –64 e –36 e 2e –83 e –62 e –34.3 4.6 –90 e –71.5 –45.5 –7.7 –87 e –66 e –39.0 –0.4 5e 28 e 56.8 97.3 –10 e 12 e 41.4 81.5 –23 e 1e 33 e 75.4 14 e 45.9 88.3 24 e 53 e 92.4 –15 e 3e 27.1 63.0 36.5 76.1 –24 e 0e 30 e 71.9 29.8 68.8 –23 e –4 e 22.9 61.1 –5 e 17 e 46 e 85.7 –16 e 9e 42 e 84.3 –5 e 23 e 61.3 –63 e –41 e –12 e 28.8 –76 e –55 e –28 e 11 e –61 e –39 e –10 e 31.0 –74 e –53 e –24.6 14.4 17 e 48 e 86 e 134.4 –8 e 20 e 55 e 103.2 –49 e –26 e 3.7 44.2 –59 e –35.3 –2.8 44.4 114.8 146.0 191 e 110 e 162.6 40 e 80.3 132.4 –20 e 8.3 44.3 92.3 98 e 128 e 167.8 220.5 74 e 109.0 152.6 207.2 –25 e 1e 35 e 81.7 –32 e –8 e 25 e 69.9 –30 e –6 e 28 e 73.6 –47 e –23 e 9e 53.1 18.5 63.8 –30 e –5 e 29 e 74.8 –10 e 22 e 66.0 6.1 47.7
100 kPa 192.5 124 e 125.6 116 e 122.0 121.1 109.8 127.4 116.3 164 e 155.6 124 e 158.3 142.1 157.5 154.8 134.6 91.1 180.8 133.5 68.3 59.9 62.9 49.4 57.6 157.1 139.6 135.1 147.6 151.4 120.9 133.8 131.3 126.0 121.1 146.1 142.5 118.2 89.7 68.1 91.9 72.6 197.5 170.2 101.9 118.8 231.4 201.4 159.4 295 e 277.9 152.2 138.4 142.4 119.6 131.6 143.8 130.6 107.0
Ref. 5 5 1,5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 1 16 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5
4/29/05 4:18:12 PM
Vapor Pressure
6-72 Mol. form. C6H15N C6H15N C6H15N C6H15NO C6H15NO3 C6H15O4P C6H16N2 C6H16O2Si C6H18Cl2O2Si3 C6H18OSi2 C6MoO6 C7F14 C7F16 C7HF15 C7H3ClF3NO2 C7H3F5 C7H4ClF3 C7H4ClF3 C7H4ClF3 C7H4Cl2O C7H4Cl2O C7H4F3NO2 C7H4F4 C7H5BrO C7H5ClO C7H5Cl3 C7H5F3 C7H5N C7H5NS C7H6Cl2 C7H6Cl2 C7H6Cl2 C7H6O C7H6O2 C7H7Br C7H7Br C7H7Br C7H7Br C7H7Cl C7H7Cl C7H7Cl C7H7Cl C7H7ClO C7H7F C7H7F C7H7F C7H7NO2 C7H7NO2 C7H7NO3 C7H8 C7H8 C7H8Cl2Si C7H8O C7H8O C7H8O C7H8O C7H8O C7H8S C7H9N
Section6.indb 72
Name Dipropylamine Diisopropylamine Triethylamine 2-Diethylaminoethanol Triethanolamine Triethyl phosphate Hexamethylenediamine Diethoxydimethylsilane 1,5-Dichloro-1,1,3,3,5,5hexamethyltrisiloxane Hexamethyldisiloxane Molybdenum hexacarbonyl Perfluoromethylcyclohexane Perfluoroheptane 1H-Pentadecafluoroheptane 1-Chloro-2-nitro-4trifluoromethyl)benzene 2,3,4,5,6-Pentafluorotoluene 1-Chloro-2-(trifluoromethyl) benzene 1-Chloro-3-(trifluoromethyl) benzene 1-Chloro-4-(trifluoromethyl) benzene o-Chlorobenzoyl chloride m-Chlorobenzoyl chloride 1-Nitro-3-(trifluoromethyl) benzene 1-Fluoro-4-(trifluoromethyl) benzene Benzoyl bromide Benzoyl chloride (Trichloromethyl)benzene (Trifluoromethyl)benzene Benzonitrile Phenyl isothiocyanate 2,4-Dichlorotoluene 3,4-Dichlorotoluene (Dichloromethyl)benzene Benzaldehyde Salicylaldehyde o-Bromotoluene m-Bromotoluene p-Bromotoluene (Bromomethyl)benzene o-Chlorotoluene m-Chlorotoluene p-Chlorotoluene (Chloromethyl)benzene 1-Chloro-2-methoxy-benzene o-Fluorotoluene m-Fluorotoluene p-Fluorotoluene o-Nitrotoluene m-Nitrotoluene 2-Nitroanisole Toluene Bicyclo[2.2.1]hepta-2,5-diene Dichloromethylphenylsilane o-Cresol m-Cresol p-Cresol Benzyl alcohol Anisole 3-Methylbenzenethiol Benzylamine
1 Pa
–58 e 75 e
–62 e –29 e
3e
–53 e
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa –48 e –25 e 6e 47.5 –47 e –17.5 23.5 –45 e –29 e –5 e 29.9 97 e 108 e 148 e 196 e 256.7 34 76 132 76.0 128.2 –44 e –21.2 9.1 51.0 –7 e 22.2 59.7 110.5 –56 e 17.4 s
–34 e 42.8 s
–62 e
–41 e
26 e
55 e
–34 e
11 e
–20 e 1e –9 e –9 e
9e
39 e –38 e 42.6 27.5 40.6
–6 e
23.9
–13 e
6e 9e
–34 e
–9 e –1 e –10 e –11 e
33 e 38 e 31 19 e 29 e 17 e 19.4
–41 e
–24 e –21 e
25.4 3e 6e
–15 e
–34 e –22 e
11 e
23 e
–11 e 2e –50 e –48 e –48 e 40 e
15 e –78.1
45 e –57.1
–6.4 s 20.8 –0.2 s 8e
12.8 s 33.6 20.7 s 28 e –21 e 0e
–67 e
17.7 33 e –26 e –25 e –24 e 62 e 45 e 82 e –31.3 32.4 40.2 52.4 52.7 54 e 4e 29 e 25.6
100 kPa 108.8 84.0 88.5 160.6 334 e 211 199.0 113.0 183.4
Ref. 5 5 1 5 5 4 5 5 5
–5 e 73.1 s –21 e –14 e –7 e 92.8
37.1 109.9 s 18 e 24.7 35.9 145.2
100.1 155.4 s 75.9 82.1 96.0 222.0
5 5 1 1 5 5
11 e 34.5 24.2 24.2 93 e 87.8 76.2 –6 e 83.9 67.0 81.5 –3 e 63.1 79.4 68.3 76 e 72 54.6 68 e 54 e 58.1 57 e 66.8 38 e 41 e 40 e 55.4 72 e 5e 7e 7e 94 e 89.7 129 e 1.5 –15 e 71.8 72.3 82.6 83.1 88 e 38 e 66 e 62.6
53.6 81.8 69.8 70.4 149 e 147 e 127.3 38.6 139.5 120.4 136.2 39 e 115.7 105 e 119.5 129.3 130 104.6 120.7 104.8 109.9 107.8 121.7 86.3 89 e 88.9 106.3 125.2 49.0 51.0 51 e 141.9 148.7 189.4 45.2 27.4 126.0 120.3 130.6 130.7 134.7 84 e 117.9 112.7
117.0 151.8 137.2 138.1 237.0 225.0 202.2 102.3 218.0 196.7 213.0 101.6 190.0 117 e 199.1 208.4 213 178.3 196.2 181.1 183.1 183.8 198.3 158.7 161.8 161.5 178.9 201 e 113.9 116.1 116.2 221.9 231.3 271.8 110.1 91 e 205.0 190.5 201.8 201.5 204.9 153.2 194.6 183.9
5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 1 5 5 5 5 5 1,5 5 1,5 5 5 5 5 5 5 5 5 5 5 5 1,5 1,5 1,5 1 1,5 5 5
4/29/05 4:18:14 PM
Vapor Pressure Mol. form. C7H9N C7H9N C7H9N C7H9N C7H9N C7H9N C7H9N C7H9N C7H9N C7H9N C7H9N C7H9N C7H9N C7H10N2 C7H12 C7H12 C7H12 C7H12 C7H12 C7H12 C7H12 C7H12 C7H12 C7H12 C7H12 C7H12 C7H12 C7H12 C7H12 C7H12 C7H12 C7H12O C7H12O2 C7H12O2 C7H12O3 C7H12O4 C7H12O4 C7H13ClO C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14
Section6.indb 73
Name o-Methylaniline m-Methylaniline p-Methylaniline N-Methylaniline 2-Ethylpyridine 3-Ethylpyridine 4-Ethylpyridine 2,3-Dimethylpyridine 2,4-Dimethylpyridine 2,5-Dimethylpyridine 2,6-Dimethylpyridine 3,4-Dimethylpyridine 3,5-Dimethylpyridine Toluene-2,4-diamine 1-Heptyne 2-Heptyne 3-Heptyne 5-Methyl-1-hexyne 5-Methyl-2-hexyne 2-Methyl-3-hexyne 4,4-Dimethyl-1-pentyne 4,4-Dimethyl-2-pentyne Bicyclo[4.1.0]heptane Cycloheptene 1-Methylbicyclo(3,1,0)hexane Methylenecyclohexane 1-Methylcyclohexene 4-Methylcyclohexene 1-Ethylcyclopentene 1,2-Dimethylcyclopentene 1,5-Dimethylcyclopentene Cycloheptanone Butyl acrylate Propyl methacrylate Ethyl levulinate Diethyl malonate Dimethyl glutarate Heptanoyl chloride 1-Heptene cis-2-Heptene trans-2-Heptene cis-3-Heptene trans-3-Heptene 2-Methyl-1-hexene 4-Methyl-1-hexene 2-Methyl-2-hexene cis-3-Methyl-2-hexene trans-4-Methyl-2-hexene trans-5-Methyl-2-hexene trans-2-Methyl-3-hexene 3-Ethyl-1-pentene 2,3-Dimethyl-1-pentene 2,4-Dimethyl-1-pentene 3,3-Dimethyl-1-pentene 4,4-Dimethyl-1-pentene 2,3-Dimethyl-2-pentene 2,4-Dimethyl-2-pentene cis-3,4-Dimethyl-2-pentene trans-3,4-Dimethyl-2-pentene cis-4,4-Dimethyl-2-pentene
6-73 1 Pa 1.0 3.8 –16 e –46 e –38 e –35 e
–75 e –71 e –80 e –75 e –78 e
–76 e –72 e –76 e –75 e –75 e –77 e –52 e
–23 e –11 e –17 e –82.1 –79 e –79 e –80 e –80 e –81 e –84 e –80 e –79 e –83 e –83 e –84 e –85 e –85 e –88 e –87 e –94 e –79 e –84 e –83 e –82 e –90 e
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa 18.8 42.6 76.1 125.6 22.0 46.2 80.1 128.8 77.1 126.2 6e 34 e 70.3 121.1 –26 e –1 e 33 e 79.3 –17 e 9e 44 e 92.7 –15 e 11 e 46 e 94.4 42 e 89.9 –25 e 3.7 40.0 87.5 4e 39 e 86.2 –3 e 29.9 75.8 –9 e 19 e 55 e 104.8 11 e 48 e 98 e 100.4 145.3 202.9 –57 e –35 e –5 e 37.1 –51 e –27 e 4e 46.9 –53 e –31 e 0e 42.7 –62 e –40 e –11 e 30.1 –57 e –34 e –4 e 38.6 –61 e –39 e –9 e 32.6 –73 e –52 e –24 e 15.9 –70 e –48 e –19 e 21.4 49.9 –30.0 3.4 47.5 29.8 –58 e –35 e –5 e 38 e –53 e –30 e 1e 45 e –59 e –36 e –5 e 37.9 –57 e –34 e –3 e 40.7 –57 e –34 e –3 e 40.2 –59 e –36 e –5.5 37.3 18 e 53.7 104.0 –31 e –4.5 30.4 78.0 26 e 73.8 17 e 45.3 82.6 133.2 4e 36.0 76.4 128.5 15 e 47 e 87.7 139.8 4e 29.4 59.7 96.9 –63.8 –40.6 –10.7 31.1 –61 e –38 e –8 e 34.3 –61 e –39 e –8 e 34.0 –62 e –40 e –10 e 32.3 –62 e –40 e –10 e 32.2 –64 e –42 e –12 e 29.3 -67 e –45 e –16 e 25.3 –63 e –40 e –10 e 32.0 –62 e –39 e –9 e 33.4 –66 e –44 e –15 e 25.9 –66 e –44 e –15 e 26.3 –67 e –45 e –16 e 24.6 –68 e –46 e –17 e 23.2 –68 e –46 e –17 e 23.4 –71 e –50 e –21 e 20.0 –71 e –50 e –21 e 18.1 –78 e –57 e –28 e 11.5 –62 e –39 e –9 e 33.5 –68 e –46 e –18 e 22.6 –65 e –43 e –14 e 27.2 –64 e –42 e –13 e 29.0 –73 e –51 e –22 e 18.6
100 kPa 199.9 202.9 199.9 195.8 149.0 166.5 168.6 160.6 157.9 156.6 143.6 178.6 171.5 279.5 99.5 111.5 106.4 91.4 102.0 94.8 75.6 82.6 116.3 108 e 92.6 103.0 109.8 102.3 105.8 105.3 101.5 178.7 146.9 139.7 205.7 198.3 209.5 144.0 93.2 98.0 97.5 95.3 95.2 91.6 86.3 95.0 96.8 87.1 87.7 85.5 83.7 83.8 81.2 77.1 72.1 96.9 82.9 88.8 91.1 80.0
Ref. 1,5 1,5 5 1 5 5 5 5 1,5 1 1 5 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 1,5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5
4/29/05 4:18:15 PM
Vapor Pressure
6-74 Mol. form. C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14O C7H14O C7H14O C7H14O C7H14O C7H14O C7H14O2 C7H14O2 C7H14O2 C7H14O2 C7H14O2 C7H14O2 C7H14O2 C7H14O2 C7H14O2 C7H14O2 C7H15Br C7H15Cl C7H15F C7H15I C7H16 C7H16 C7H16 C7H16 C7H16 C7H16 C7H16 C7H16 C7H16 C7H16O C7H16O C7H16O C7H16O C7H16O C7H16S C7H17N C7H18N2 C8F18 C8H4O3 C8H6O C8H7Cl C8H7N C8H7N C8H7N C8H7N C8H7NO4 C8H8 C8H8 C8H8O C8H8O2
Section6.indb 74
Name trans-4,4-Dimethyl-2-pentene 2,3,3-Trimethyl-1-butene Cycloheptane Methylcyclohexane Ethylcyclopentane 1,1-Dimethylcyclopentane cis-1,2-Dimethylcyclopentane trans-1,2-Dimethylcyclopentane cis-1,3-Dimethylcyclopentane trans-1,3-Dimethylcyclopentane 1-Heptanal 2-Heptanone 3-Heptanone 4-Heptanone 5-Methyl-2-hexanone 2,4-Dimethyl-3-pentanone Heptanoic acid Pentyl acetate Isopentyl acetate Isobutyl propanoate Propyl butanoate Propyl isobutanoate Isopropyl isobutanoate Ethyl 3-methylbutanoate Methyl hexanoate 4-Methoxy-4-methyl-2-pentanone 1-Bromoheptane 1-Chloroheptane 1-Fluoroheptane 1-Iodoheptane Heptane 2-Methylhexane 3-Methylhexane 3-Ethylpentane 2,2-Dimethylpentane 2,3-Dimethylpentane 2,4-Dimethylpentane 3,3-Dimethylpentane 2,2,3-Trimethylbutane 1-Heptanol 2-Heptanol 3-Heptanol 4-Heptanol 2,2-Dimethyl-3-pentanol 1-Heptanethiol Heptylamine N,N-Diethyl-1,3-propanediamine Perfluorooctane Phthalic anhydride Benzofuran o-Chlorostyrene 2-Methylbenzonitrile 4-Methylbenzonitrile Benzeneacetonitrile Indole Methyl 2-nitrobenzoate Styrene 1,3,5,7-Cyclooctatetraene Acetophenone Phenyl acetate
1 Pa –90 e –91 e –79 e –76 e
–83 e –84 e –84 e –41 e
–27 e –61 e 24 e –58 e –51 e –35 e –35 e
–57 e –47 e –30 e –39 e –64 e –19 e –78.6 –82 e –81 e –81 e –90 e –87 e –89 e –88 e
–9 e –8 e –16 e –30 e
48.2 s –33 e
–3 e 20.6 s 17 e
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa –73 e –52 e –23 e 16.6 –75 e –53 e –24.2 16.3 6e 51.1 –62 e –39 e –7.9 35.5 –59 e –35 e –5 e 38.4 –69 e –47 e –17 e 24.8 –38 e –8 e 34.9 –66 e –43 e –13 e 28.4 –66 e –44 e –14 e 28.2 –67 e –44 e –14 e 27.4 –21 e 4e 37 e 83.7 –22 e 3e 36 e 82.2 –28 e 0e 36 e 83.2 –6 e 18.8 50.2 90.3 –27 e –2 e 31.0 76.6 –42 e –18 e 14 e 58.5 46 e 72 e 107 e 154.6 –39 e –14 e 20 e 70.1 –30 e –4 e 30.3 76.2 –19 e 2e 31 e 72.0 –19 e 3e 32.0 74.9 –28 e –5.7 24.5 67.5 –44 e –19.7 12.2 56.0 –36 e –10 e 23.9 69.5 –26 e 2e 36.6 83.3 43 e 89.8 –9 e 18 e 54 e 104.4 –19 e 7e 41 e 88.6 –45 e –22 e 10 e 53.3 3e 32 e 71 e 123.8 –60.2 –37.0 –6.6 35.4 –65 e –43 e –13 e 27.8 –64 e –42 e –12 e 29.2 –63 e –41 e –11 e 30.5 –73 e –52 e –22.9 17.6 –68.4 –45.3 –14.9 26.8 –72 e –50 e –21.3 19.2 –71 e –49 e –18.8 22.9 –23.2 18.1 17 e 40 e 70.1 112.5 7e 27 e 55.0 95.2 7e 27 e 54.5 93.9 1e 22 e 51 e 91.9 9e 35 e 73.1 –9 e 18 e 53 e 102.7 5e 39 e 86.7 50.1 99.9 5e 45.0 72.4 s 192.7 –16 e 12 e 47.9 97.7 –10 e 20 e 58 e 110.8 1e 32.1 72.2 126.6 40.1 78.7 134.3 23 e 55.3 97.4 153.7 44.5 s 49 e 89 e 140 e 208 e –31 e –5 e 28.6 75.4 24.3 71.0 36 e 73 e 125.3 3e 33.1 72.2 123.9
100 kPa 76.3 77.5 118.4 100.5 103.0 87.4 99.0 91.4 91.1 90.3 152.3 150.6 147.0 143.4 144.4 124.8 222.6 149 e 141.4 136.1 142.8 133.3 120.1 134.4 149 e 160 e 178.4 159.9 117.4 203.4 98.0 89.7 91.5 93.1 78.8 89.3 80.1 85.6 80.4 176 e 158.7 156.3 154.6 135.5 176.4 156.4 167.7 105.6 284.2 170.7 188 e 204.7 221.3 233.1 254.0 302 e 144.7 140.1 201.5 195.5
Ref. 5 5 1 1 5 5 5 5 5 5 5 1 5 5 5 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 16 1 1 1 1 5 1 1 5 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 1 5 5 5
4/29/05 4:18:16 PM
Vapor Pressure Mol. form. C8H8O2 C8H8O2 C8H8O3 C8H9Cl C8H9Cl C8H9NO2 C8H10 C8H10 C8H10 C8H10 C8H10O C8H10O C8H10O C8H10O C8H10O C8H10O C8H10O C8H10O C8H10O C8H10O C8H10O C8H10O2 C8H10O2 C8H11N C8H11N C8H11N C8H11N C8H11N C8H11N C8H11NO C8H12 C8H12 C8H12O4 C8H14 C8H14 C8H14 C8H14 C8H14 C8H14 C8H14O2 C8H14O2 C8H14O3 C8H14O4 C8H14O4 C8H14O4 C8H15Br C8H15ClO C8H15N C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16
Section6.indb 75
Name Methyl benzoate 4-Methoxybenzaldehyde Methyl salicylate 1-Chloro-2-ethylbenzene 1-Chloro-4-ethylbenzene 1-Ethyl-4-nitrobenzene Ethylbenzene o-Xylene m-Xylene p-Xylene o-Ethylphenol m-Ethylphenol p-Ethylphenol 2,3-Xylenol 2,4-Xylenol 2,5-Xylenol 2,6-Xylenol 3,4-Xylenol 3,5-Xylenol Benzeneethanol Phenetole 2-Phenoxyethanol 1,3-Dimethoxybenzene p-Ethylaniline N-Ethylaniline N,N-Dimethylaniline 2,4-Xylidine 2,6-Xylidine 5-Ethyl-2-picoline o-Phenetidine 1,5-Cyclooctadiene 4-Vinylcyclohexene Diethyl maleate 2,5-Dimethyl-1,5-hexadiene 1-Octyne 2-Octyne 3-Octyne 4-Octyne 1-Ethylcyclohexene Cyclohexyl acetate Butyl methacrylate Butanoic anhydride Ethyl succinate Dipropyl oxalate Dimethyl adipate (2-Bromoethyl)cyclohexane Octanoyl chloride Octanenitrile 1-Octene cis-2-Octene trans-2-Octene cis-3-Octene trans-3-Octene cis-4-Octene trans-4-Octene 2-Methyl-1-heptene 2,2-Dimethyl-cis-3-hexene 2,3-Dimethyl-2-hexene 2,3,3-Trimethyl-1-pentene 2,4,4-Trimethyl-1-pentene
6-75 1 Pa 9e –1 e –30 e –27 e 10 e –56.2
5.6 14.3 s 13.4 s –3.1 s 19.7 s 16.5 s 2e 21 e 18 e –2 e –15 e –2 e –33 e 0e –62 e –6 e –38 e –59 e –52 e –55 e –56 e –55 e
–28 e –6 e –4 e –14 e 1e –15 e –65.7 –59 e –59 e –65 e –61 e –63 e –65 e –66 e –74 e –65 e –79 e
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa –1 e 29 e 68 e 121.2 35 e 68.1 110.8 167.9 22 e 51 e 88.8 141.8 –9 e 18 e 54 e 103.7 –6 e 22 e 58 e 108.7 36 e 69 e 111.6 168 e –36.8 –12.0 21.1 67.1 –7 e 27 e 74.2 –35 e –10 e 23.4 69.8 22.4 68.9 16.9 44.5 81.1 130.9 29.2 57.5 91.9 144.8 60 e 95.5 144.6 34.3 s 57.2 s 91.4 141.7 50.2 85.5 137.2 33.2 s 55.9 s 87.4 137.0 16.7 s 39.6 s 75.3 125.9 40.2 s 63.7 s 102.1 152.3 37.2 s 61.1 s 98.0 147.9 25 e 54 e 92 e 143.6 –9 e 17 e 51 e 99 e 46 e 75.9 115.4 168.7 34 e 56 e 86.7 135.5 21 e 49 e 87 e 139.4 8e 38 e 76.4 128.8 28 e 66 e 118.1 21 e 51 e 88 e 139.1 37 e 80 e 137.7 –9.3 20 e 27 e 60 e 102.2 156.0 –37 e –8 e 30 e 80.2 –43 e –19 e 14.1 59.9 20 e 52.2 93.5 148.4 –26 e –10 e 14 e 50.8 –40 e –16 e 16 e 60.3 –33 e –8 e 25 e 70.6 –35 e –11 e 22 e 66.8 –36 e –12 e 21 e 65.6 –35 e –11 e 22 e 68 e 103.1 47 e 93.3 –2 e 30 e 71 e 123.8 20 e 51.0 91.1 143.7 20 e 49.9 88.6 140.4 28 e 61 e 103 e 156.1 8e 36.9 75.3 129.7 22 e 46 e 74.7 109 e 8e 37 e 75 e 127.7 –46.1 –21.4 10.5 54.9 –41 e –17 e 15 e 59 e –41 e –17 e 14 e 59 e –46 e –22 e 10 e 55.1 –43 e –19 e 13 e 57 e –44 e –20 e 11 e 56 e –46 e –22 e 10 e 54.6 –48 e –24 e 8e 52.3 –56 e –33 e –3 e 40.1 –47 e –23 e 10 e 54.3 –53 e –30 e 1e 43.8 –61 e –38 e –7 e 36.2
100 kPa 198.9 248.5 219.9 177.9 183.9 245 e 135.7 143.9 138.7 137.9 204.0 217.9 217.5 216.4 210.5 210.6 200.6 226.4 221.3 217.7 169.3 244.8 223 e 216.7 204.2 193.6 210.9 217.7 178.0 228.1 150 e 129 e 224.8 115.1 125.8 137.8 132.8 131.4 136.5 172.9 159.0 196.5 216.1 213.0 227.3 212.5 150 e 204.4 120.9 125.2 124.5 122.4 122.8 122.1 121.8 118.7 105.0 121.3 107.9 101.0
Ref. 5 5 5 5 5 5 1 1 1 1 5 5 5 1,5 1,5 5 1,5 1,5 1,5 5 5 5 5 5 5 1 5 5 5 5 5 5 5 5 1 1 1 1 5 5 5 5 5 5 5 5 5 5 1,5 5 5 5 5 5 5 5 5 5 5 5
4/29/05 4:18:18 PM
Vapor Pressure
6-76 Mol. form. C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16O C8H16O C8H16O C8H16O C8H16O C8H16O2 C8H16O2 C8H16O2 C8H16O2 C8H16O2 C8H16O2 C8H16O2 C8H16O2 C8H16O4 C8H17Br C8H17Cl C8H17Cl C8H17F C8H17I C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18O C8H18O C8H18O
Section6.indb 76
Name 2,3,4-Trimethyl-2-pentene 2,4,4-Trimethyl-2-pentene Cyclooctane Ethylcyclohexane 1,1-Dimethylcyclohexane cis-1,2-Dimethylcyclohexane trans-1,2-Dimethylcyclohexane cis-1,3-Dimethylcyclohexane trans-1,3-Dimethylcyclohexane cis-1,4-Dimethylcyclohexane trans-1,4-Dimethylcyclohexane Propylcyclopentane Isopropylcyclopentane 1-Ethyl-1-methylcyclopentane cis-1-Ethyl-2-methylcyclopentane 1,1,2-Trimethylcyclopentane 1,1,3-Trimethylcyclopentane 1´,2´,4a-1,2,4-Trimethylcyclo-pentane 1´,2a,4´-1,2,4-Trimethylcyclo-pentane 1-Propylcyclopentanol Octanal 2-Octanone 3-Octanone 2,2,4-Trimethyl-3-pentanone Octanoic acid 2-Ethylhexanoic acid Hexyl acetate Isopentyl propanoate Isobutyl isobutanoate Propyl 3-methylbutanoate Ethyl hexanoate Methyl heptanoate Diethylene glycol monoethyl ether acetate 1-Bromooctane 1-Chlorooctane 3-(Chloromethyl)heptane 1-Fluorooctane 1-Iodooctane Octane 2-Methylheptane 3-Methylheptane 4-Methylheptane 3-Ethylhexane 2,2-Dimethylhexane 2,3-Dimethylhexane 2,4-Dimethylhexane 2,5-Dimethylhexane 3,3-Dimethylhexane 3,4-Dimethylhexane 3-Ethyl-2-methylpentane 3-Ethyl-3-methylpentane 2,2,3-Trimethylpentane 2,2,4-Trimethylpentane 2,3,3-Trimethylpentane 2,3,4-Trimethylpentane 2,2,3,3-Tetramethylbutane 1-Octanol 2-Octanol 3-Octanol
–31 e –30 e –16 e
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa –49 e –26 e 6e 50.0 –56 e –33 e –2 e 40.4 30 e 78 e –42 e –17 e 15.8 61.9 –27 e 5e 50.6 –44 e –20 e 14 e 59.7 –49 e –25 e 8e 53.9 –48 e –23 e 10 e 55.6 –45 e –23 e 8e 51.5 –47 e –23 e 10 e 55.3 –27 e 5e 50.6 –41 e –16 e 16.5 62.1 –46 e –21 e 12 e 57.3 –49 e –24 e 8e 53.2 –44 e –19 e 13.3 59.1 2e 46.2 –59 e –36 e –5 e 38.7 –52 e –28 e 4e 48.9 –56 e –33 e –1 e 42.8 24 e 43 e 69.0 108.4 6e 45.7 97.8 –3 e 23 e 57 e 103.8 8e 47.7 97 e 11.3 42.1 81.7 58 e 85 e 120 e 165.5 108 e 159.6 –13 e 16 e 52.8 100.4 3.1 40.7 90.6 –26 e 0.4 34.8 81.1 1.8 38.9 87.9 –9 e 18.7 53.9 100.7 –9 e 19 e 54.2 102.4 10.6 43.9 86.2 141.3
–17 e –25 e
6e –4 e
34 e 23 e
–6 e –69 e –67 e –65 e
18 e –42.6 –49.1 –48.1 –47 e
48 e –17.9 –24.5 –23.6 –24 e
–73 e
–55 e
–32 e
–71 e –72 e
–53 e –54 e
–30 e –30 e
–69 e –70 e –74 e –81.9 –72 e –74 e –62.5 s 12 e
–50 e –51 e –56 e –63.4 –54 e –54.5 –44 s 30 e
12 e
24 e
–27 e –27 e –32 e –39.8 –30 e –30.0 –20.9 s 53 e 40 e 40 e
1 Pa –68 e –73 e –61 e
–68 e –68 e –62 e –66 e –60 e –65 e –67 e –63 e –77 e –70 e –74 e 9e
37 e –37 e –47 e
72 e 59 e 29 e 87 e 14.4 7.6 8.5 7.8 8e –1.5 5e 0.6 0.7 1.4 7e 5e 5e –0.8 –8.9 2.1 2.2 8.9 s 84 e 69.9 64 e
123.8 108.8 100.3 74.6 142.5 58.9 51.6 52.7 51.6 52.1 41.6 49.2 43.9 43.8 45.4 50.9 48.9 50.2 43.1 34.0 46.9 46.7 48.8 s 128.2 112.5 102.8
100 kPa 115.8 104.5 150.7 131.3 119.1 129.2 122.9 123.1 120.9 123.8 118.9 130.5 125.9 121.0 127.6 113.2 104.4 116.2 108.8 173.5 170.2 172.1 161 e 134.6 238.4 226.6 164 e 159.8 147.0 155.6 166.2 172 e 216.6
Ref. 5 5 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 1,5 5 5 5 5 5 5 5 5
200.3 182.9 172.4 141.8 224.5 125.3 117.2 118.5 117.2 118.1 106.4 115.1 109.0 108.6 111.5 117.3 115.2 117.8 109.4 98.8 114.3 113.1 105.8 194.8 179.4 174.1
5 5 5 5 5 16 1,5 1,5 5 5 5 5 5 5 5 5 5 5 5 5 5 1,5 5 1,39 1,39 1
4/29/05 4:18:19 PM
Vapor Pressure Mol. form. C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O2 C8H18O2 C8H18O2 C8H18O3 C8H18O3 C8H18O5 C8H18S C8H18S C8H19N C8H19N C8H20O4Si C8H20Si C9F20 C9H6N2O2 C9H7N C9H7N C9H8 C9H10 C9H10 C9H10 C9H10 C9H10O C9H10O2 C9H10O2 C9H11Br C9H11Cl C9H11Cl C9H12 C9H12 C9H12 C9H12 C9H12 C9H12 C9H12 C9H12 C9H12O C9H12O C9H12O C9H13N C9H13N C9H13N C9H14O C9H14O6 C9H16O4 C9H17N C9H18 C9H18 C9H18 C9H18
Section6.indb 77
Name 4-Octanol 4-Methyl-3-heptanol 5-Methyl-3-heptanol 4-Methyl-4-heptanol 2-Ethyl-1-hexanol 2-Ethyl-2-hexanol 2,4,4-Trimethyl-2-pentanol 2,2,4-Trimethyl-3-pentanol Dibutyl ether Di-sec-butyl ether Di-tert-butyl ether Ethylene glycol monohexyl ether 1,2-Dipropoxyethane Di-tert-butyl peroxide Diethylene glycol monobutyl ether Diethylene glycol diethyl ether Tetraethylene glycol 1-Octanethiol Dibutyl sulfide Dibutylamine Diisobutylamine Ethyl silicate Tetraethylsilane Perfluorononane Toluene-2,4-diisocyanate Quinoline Isoquinoline Indene cis-1-Propenylbenzene trans-1-Propenylbenzene Isopropenylbenzene Indan 2,4-Dimethylbenzaldehyde Ethyl benzoate Benzyl acetate 1-Bromo-4-isopropylbenzene 1-Chloro-2-isopropylbenzene 1-Chloro-4-isopropylbenzene Propylbenzene Isopropylbenzene o-Ethyltoluene m-Ethyltoluene p-Ethyltoluene 1,2,3-Trimethylbenzene 1,2,4-Trimethylbenzene 1,3,5-Trimethylbenzene Benzyl ethyl ether Phenyl propyl ether Phenyl isopropyl ether 2,4,6-Trimethylaniline N,N-Dimethyl-o-toluidine Amphetamine Isophorone Triacetin Diethyl glutarate Nonanenitrile 1-Nonene 2-Methyl-1-octene Butylcyclopentane Propylcyclohexane
6-77 1 Pa –52 e –35 e –17 e –13 e –2 e –55 e
–13 e
14 e –32 e 89 e –15 e –22 e –37 e –57 e –77 e
–1.3
–38 e
–33 e –3 e –18 e –11 e –8 e –23 e –43 e –46 e –40 e –42 e –41 e –37 e –39 e
–20 e 12 e –25 e
37.6 –1 e –3 e –50.1 –53 e –45 e –46 e
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa 40 e 66.9 107.3 –28 e 1e 39 e 87.6 –16 e 8e 40 e 84.8 1e 24 e 55 e 97.2 45 e 75 e 118.3 4e 26 e 55 e 96.3 –7 e 13 e 40 e 79.8 9e 24 e 47 e 82.6 –35 e –8 e 26 e 73.0 –19 e 12.1 55.4 –33 e –2 e 41.7 14 e 46 e 86 e 137.7 –44.2 –2.0 63.6 –26 e 4.3 46.6 37 e 66.8 104.9 153 e –7 e 25 e 64.9 117.1 117 e 151.1 192.2 242.9 6e 34 e 71 e 122.1 0e 27 e 63 e 113.5 –16 e 10 e 44 e 90.8 –36 e –9.0 25.5 72.2 –52 e –21 e 21.6 80.5 –6.5 30.5 80.6 40 e 39 e 72 e 113.9 169.7 23.7 55.4 96.8 153.4 30.2 60.7 101.3 157.9 12 e 53.0 106.8 –15.4 13.3 51.4 103.7 –16 e 13.3 51.6 103.7 3.2 41.5 92.8 –12 e 16 e 52 e 102.3 23 e 54 e 93.2 144.6 8e 39 e 80.1 135.1 15 e 46.6 86.9 139.5 15 e 45 e 84 e 138.1 –1 e 27 e 64 e 114.6 3e 31 e 69 e 120.5 –23 e 4e 38 e 86.7 –26 e –1 e 33 e 80.9 –19 e 8e 43 e 92.1 –21 e 5e 40.4 88.9 –21 e 6e 41 e 89.2 –12 e 15 e 52 e 101.5 –16 e 11 e 47 e 95.9 –18 e 9e 43.7 92.4 –10 e 20.4 59.3 111.3 –10 e 21 e 61 e 113.9 –1 e 23 e 56 e 103.7 36 e 66 e 104.1 154.9 –3 e 24.4 60.6 110.7 33 e 70.1 118 e 1e 33.1 75.1 132.4 62 e 90 e 124 e 165 e 26 e 60.2 103.3 159.6 21 e 50.9 90.7 145.4 –29.4 –3.3 30.4 77.1 –34 e –9 e 25 e 72 e –24 e 1e 36 e 84 e –26 e 0e 35.1 83.6
100 kPa 176.0 155.0 153.0 160.7 184.2 160.3 146.1 150.4 141.2 120.6 106.8 206.9 179.2 110.5 230.4 189 e 307.3 198.5 188.4 159.1 139.0 164.1 152.6 114.7 247 e 236.5 242.7 181.0 178.4 178.4 164.9 177.5 214.5 212.8 211 e 218.5 190.5 197.8 158.8 152.0 164.7 160.8 161.5 175.6 168.9 164.3 184.5 189.3 176.9 226 e 184.5 202.0 215.1 214 e 236.5 225.1 146.4 144.1 156.1 156.2
Ref. 1,39 5 5 5 1 5 5 5 5 5 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 1,5 1,5 5 5 5 5 1 5 5 5 5 5 5 1 1 5 5 5 1 1 1 5 5 5 5 5 5 5 5 5 5 1,5 5 5 5
4/29/05 4:18:20 PM
Vapor Pressure
6-78 Mol. form. C9H18 C9H18 C9H18 C9H18 C9H18 C9H18 C9H18 C9H18 C9H18 C9H18 C9H18O C9H18O C9H18O C9H18O C9H18O2 C9H18O2 C9H18O2 C9H18O2 C9H18O2 C9H18O2 C9H19Cl C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20O C9H20O C9H20O C9H20O C9H20O C9H20S C9H21BO3 C9H21N C9H21N C10F8 C10F22 C10H7Br C10H7Cl C10H8 C10H8 C10H8O C10H8O C10H9N C10H9N
Section6.indb 78
Name Isopropylcyclohexane trans-1-Ethyl-4-methylcyclo-hexane 1,1,2-Trimethylcyclohexane 1,1,3-Trimethylcyclohexane 1´,2a,4a-1,2,4-Trimethylcyclo-hexane 1´,3´,5´-1,3,5-Trimethylcyclo-hexane Isobutylcyclopentane cis-1-Methyl-2-propylcyclo-pentane trans-1-Methyl-2-propylcyclo-pentane 1,1,3,3-Tetramethylcyclo-pentane Nonanal 2-Nonanone 5-Nonanone 2,6–Dimethyl-4-heptanone Nonanoic acid Heptyl acetate Isopentyl butanoate Isobutyl 3-methylbutanoate Propyl hexanoate Methyl octanoate 1-Chlorononane Nonane 2-Methyloctane 3-Methyloctane 4-Methyloctane 2,2-Dimethylheptane 2,3-Dimethylheptane 2,6-Dimethylheptane 3-Ethyl-4-methylhexane 2,2,4-Trimethylhexane 2,2,5-Trimethylhexane 2,3,3-Trimethylhexane 2,3,5-Trimethylhexane 2,4,4-Trimethylhexane 3,3,4-Trimethylhexane 3,3-Diethylpentane 3-Ethyl-2,4-dimethylpentane 2,2,3,3-Tetramethylpentane 2,2,3,4-Tetramethylpentane 2,2,4,4-Tetramethylpentane 2,3,3,4-Tetramethylpentane 1-Nonanol 3-Nonanol 4-Nonanol 5-Nonanol 2,2,4,4-Tetramethyl-3-pentanol 1-Nonanethiol Triisopropyl borate Nonylamine Tripropylamine Perfluoronaphthalene Perfluorodecane 1-Bromonaphthalene 1-Chloronaphthalene Naphthalene** Azulene 1-Naphthol 2-Naphthol 1-Naphthalenamine 2-Naphthalenamine
1 Pa –48 e –53 e –60 e –71 e –72 e –105 e –52 e –56 e –72 e
–32 e 48 e –16 e
–26 e –26 e –11 e –46.8 –49 e –49 e –50 e –58 e –53 e –55 e –66.1 –65.1 –58 e –60 e –62 e –53 e –58 e –61 e –57 e
13 e –2 e
–39 e 5.2 s 17 e 14 e 3.2 s 24.1 s
36.3 s
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa –28 e –2 e 33 e 81.3 –33 e –8 e 25 e 71.8 –12 e 23 e 71.5 –41 e –16 e 18 e 65.2 –50 e –22 e 15 e 65.7 –50 e –22 e 14 e 65.1 –88 e –64 e –28 e 31 e –33 e –7 e 28 e 77 e –36 e –11 e 23 e 72 e –54 e –30 e 2e 47 e –3 e 27.4 65.5 115.6 8e 35 e 71 e 121.0 –1 e 39.1 94 e –12 e 14 e 48 e 96.2 69 e 97 e 133 e 182.7 6e 34 e 70 e 119.9 55 e 105.6 11.3 48.3 97.9 –2 e 28 e 65.1 113.4 –9 e 13 e 40 e 76 e 11 e 39 e 76 e 127.8 –26.0 0.0 34.0 80.8 –30 e –5 e 28 e 73.9 –29 e –5 e 29 e 74.7 –30 e –6 e 27 e 73.2 –39 e –15 e 18 e 63.6 –33 e –9 e 25 e 70.8 –36 e –12 e 21 e 66.4 –9 e 24 e 70.6 –46.4 –21.3 11.8 57.7 –45.8 –21.2 11.2 56.2 –38 e –13 e 20 e 66.7 –41 e –16 e 17 e 62.3 –43 e –18 e 15 e 61.0 –33 e –7 e 28 e 76.3 –9 e 26 e 73.7 –38 e –13 e 20 e 66.7 21 e 68.5 –42 e –17 e 16 e 62.5 –49 e –25 e 8e 53.2 –37 e –12 e 22 e 69.7 40 e 64 e 96.9 141.0 24 e 47 e 78 e 123.0 45 e 76.4 121.3 31 e 54 e 84.5 128.1 58 100 21 e 49 e 87 e 140.4 73.1 9e 37 e 75 e 126.2 –18 e 8e 42 e 88.2 25.1 s 48.1 s 52 e 45 e 80.3 126.7 189.8 39 e 70.5 112.8 171.6 24.1 s 49.3 s 80.7 135.6 46 s 71.5 s 103.3 162.6 137.2 196.7 140.7 200.5 62 e 99.0 146.9 210.7 65.9 s 103 s 150.9 215.1
100 kPa 154.0 141.5 145.5 136.1 140.7 140.0 147.0 152.0 145.8 117.4 184.6 194.0 188 e 167.7 255.1 191.9 178.4 168.3 178 e 127.9 204.7 150.3 142.8 143.7 141.9 132.3 140.0 134.7 139.9 126.0 123.7 137.2 130.9 130.2 148.9 145.7 136.2 139.8 132.6 121.8 141.1 213.0 194.2 192.0 194.7 167 219.2 139.0 202.1 156.0 132.9 280.5 258.6 217.5 244.0 281.8 286.8 300.1 305.5
Ref. 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 16 5 5 5 5 5 5 5 5 1,5 5 5 5 5 1 5 1 1 1 1 5,39 5 5 5 5 5 5 5 5 5 5 5 5 1,5 5 5 5 5 5
4/29/05 4:18:22 PM
Vapor Pressure Mol. form. C10H9N C10H9N C10H9N C10H9N C10H10 C10H10O4 C10H10O4 C10H10O4 C10H12 C10H12 C10H12 C10H12 C10H12O C10H12O C10H12O2 C10H12O2 C10H12O2 C10H12O2 C10H12O2 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14O C10H14O C10H14O C10H15N C10H15N C10H15N C10H16 C10H16 C10H16 C10H16 C10H16 C10H16 C10H16 C10H16 C10H16 C10H16O C10H16O C10H18 C10H18
Section6.indb 79
Name 2-Methylquinoline 4-Methylquinoline 6-Methylquinoline 8-Methylquinoline m-Divinylbenzene Dimethyl phthalate Dimethyl isophthalate Dimethyl terephthalate 1,2,3,4-Tetrahydronaphthalene 2-Ethylstyrene 3-Ethylstyrene 4-Ethylstyrene Estragole 4-Isopropylbenzaldehyde 4-Allyl-2-methoxyphenol 2-Phenylethyl acetate Propyl benzoate Ethyl phenylacetate Isoeugenol Butylbenzene sec-Butylbenzene tert-Butylbenzene Isobutylbenzene o-Cymene m-Cymene p-Cymene o-Diethylbenzene m-Diethylbenzene p-Diethylbenzene 3-Ethyl-1,2-dimethylbenzene 4-Ethyl-1,2-dimethylbenzene 2-Ethyl-1,3-dimethylbenzene 2-Ethyl-1,4-dimethylbenzene 1-Ethyl-2,4-dimethylbenzene 1-Ethyl-3,5-dimethylbenzene 1-Methyl-2-propylbenzene 1-Methyl-3-propylbenzene 1-Methyl-4-propylbenzene 1,2,3,4-Tetramethylbenzene 1,2,3,5-Tetramethylbenzene 1,2,4,5-Tetramethylbenzene 2-Butylphenol Butyl phenyl ether Thymol 2-Methyl-5-isopropylaniline N-Butylaniline N,N-Diethylaniline Dipentene d-Limonene l-Limonene β-Myrcene α-Pinene β-Pinene Camphene Terpinolene β-Phellandrene (+)-Camphor Pulegone 1-Decyne cis-Decahydronaphthalene
6-79 1 Pa 5.3 29 e 27 e 15 e –29 e 27 e 56.6 s –21 e –31 e –28 e –31 e
9e –4 e –8 e –9 e –28 e –35 e –37 e –36 e –39 e –34 e –33 e –28 e –28 e –28 e –22 e –24 e –27 e –25 e –28 e –27 e –29 e –29 e –19 e 7e –16 e 18.9 s 19 e 11 e –11 e –42 e –45 e –33 e –48 e –43 e
–15.8 s 37 e –34 e –26 e
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa 31.9 63.8 102.9 165.8 54 e 85 e 127 e 183.0 51 e 81 e 122 e 179.2 40 e 70 e 111 e 166.1 –4 e 27.1 67.6 122.1 56 e 92.7 137.8 195.8 85 e 129.5 189.2 79.4 s 106.1 s 137.9 s 197.9 3e 33.2 74.1 127.4 –8 e 21 e 60 e 111.7 –5.3 24.1 62.6 116 e –8.2 21.3 60.5 115 e 48.5 88.0 140.7 54.1 96.0 152.2 37 e 72 e 115.9 173.8 22 e 54 e 96 e 152.3 18 e 50.2 92.3 149.2 19 e 52 e 95 e 150.2 125 e 185.3 –7 e 21 e 56.9 107.6 –14 e 13 e 48 e 98.3 –16 e 10 e 46 e 94.9 –15 e 12 e 47.9 97.8 –16 e 13 e 51 e 103.1 –13 e 14 e 50 e 99.9 –12 e 16 e 52 e 102.2 –6 e 21 e 58 e 107.9 –7 e 20 e 56 e 106.2 –6 e 21 e 57 e 108.1 0e 28 e 66 e 117.2 –2 e 26 e 63 e 113.6 –2 e 26 e 63 e 113.7 –5 e 23 e 60 e 110.6 –4 e 24 e 61 e 112.2 –6 e 21 e 58 e 108.3 –6 e 22 e 58.2 108.9 –8 e 20 e 56.1 106.5 –7 e 20 e 56.6 107.4 7e 36 e 74 e 126.6 3e 32 e 69 e 120.9 119.9 31 e 61 e 101 e 155.2 8e 38 e 77 e 131.3 37.9 s 59.5 101.2 155.0 43 e 72 e 107.4 150 e 35 e 66 e 106 e 160.9 14 e 44.3 84.2 138.4 –19 e 10.6 48.7 100.2 –21 e 9.1 48.0 100.4 –12 e 16 e 52.0 102.3 9.4 47.3 98.3 –27 e –1 e 33.6 82.2 –22 e 5.0 40.6 90.5 90.7 26.5 64.9 115.4 16 e 53.2 104 e 10 s 41.5 s 80.8 s 131.4 s 49.1 66.4 92.2 135.1 –13 e 14 e 51 e 100.3 –4 e 24 e 62.4 115.5
100 kPa 247.2 265.1 264.5 247.3 199 e 272.7 273 e 282 e 207.8 187 e 193 e 196 e 214.6 231.5 252.9 232.0 230.5 225 e 267.1 182.8 172.8 168.6 172.3 177.8 174.6 176.6 182.9 180.6 183.3 193.4 189.2 189.5 186.4 187.9 183.2 184.3 181.3 182.8 204.5 197.5 196.3 234.4 209.7 230.4 204 e 241.0 216.3 173.9 174.5 177.0 171.0 155.1 165.5 160.1 184.6 171.0 207.6 220.2 173.5 195.3
Ref. 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 1,5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 21 5 21 21 4 5 5 5 5 5 1
4/29/05 4:18:23 PM
Vapor Pressure
6-80 Mol. form. C10H18 C10H18O C10H18O C10H18O C10H18O4 C10H18O4 C10H18O4 C10H19N C10H20 C10H20 C10H20 C10H20 C10H20 C10H20O C10H20O2 C10H20O2 C10H20O2 C10H20O2 C10H20O2 C10H20O4 C10H21Br C10H21Cl C10H21F C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22O C10H22O C10H22O C10H22O C10H22O2 C10H22O5 C10H22S C10H22S C10H23N C10H30O3Si4 C10H30O5Si5 C11H8O2 C11H8O2 C11H10 C11H10 C11H12O2 C11H12O3 C11H14 C11H14 C11H14 C11H14O2 C11H16
Section6.indb 80
Name trans-Decahydronaphthalene α-Terpineol Eucalyptol trans-Geraniol Sebacic acid Dipropyl succinate Diethyl adipate Decanenitrile 1-Decene Cyclodecane Butylcyclohexane Isobutylcyclohexane tert-Butylcyclohexane Decanal Decanoic acid Octyl acetate 2-Ethylhexyl acetate Isopentyl isopentanoate Ethyl octanoate Diethylene glycol monobutyl ether acetate 1-Bromodecane 1-Chlorodecane 1-Fluorodecane Decane 2-Methylnonane 3-Methylnonane 4-Methylnonane 5-Methylnonane 2,4-Dimethyloctane 2,7-Dimethyloctane 2,2,6-Trimethylheptane 3,3,5-Trimethylheptane 2,2,3,3-Tetramethylhexane 2,2,5,5-Tetramethylhexane 2,4-Dimethyl-3-isopropylpentane 2,2,3,3,4-Pentamethylpentane 2,2,3,4,4-Pentamethylpentane 1-Decanol 4-Decanol Dipentyl ether Diisopentyl ether Ethylene glycol dibutyl ether Tetraethylene glycol dimethyl ether 1-Decanethiol Diisopentylsulfide Dipentylamine Decamethyltetrasiloxane Decamethylcyclopentasiloxane 1-Naphthalenecarboxylic acid 2-Naphthalenecarboxylic acid 1-Methylnaphthalene 2-Methylnaphthalene Ethyl trans-cinnamate Myristicin 4-Isopropylstyrene 1,2,3,4-Tetrahydro-5-methylnaphthalene 1,2,3,4-Tetrahydro-6-methylnaphthalene Butyl benzoate Pentylbenzene
1 Pa
4e 125.9 s 11 e 4e 13 e –35.5
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa –10 e 18 e 55.3 107.9 48 89 142 10.6 48.5 100.3 31 e 63.2 104.3 157.7
58 e –26 e –11 e
–9 e –16 e –18 e 16 e 80 e –3 e 5e
–17 e 6e
9e 34 e
72.1 72 e 66 e 13.7 29 e 18 e 10 e 9e 47.2 108 e 27 e 26 e 22 e 41 e 69 e
9e 2e –22 e –34 e –34 e –36 e –36 e
33 e 25 e 0e –10.6 –14 e –14 e –16 e –16 e
63 e 54 e 27 e 16.7 12 e 12 e 10 e 10 e
–39 e –46 e
–19 e –27 e
–46 e
–25 e
–46 e
30 e 18 e –31 e
–26 e –24 e –29 e 50 e 37 e –8 e
0e
20 e
7e –2 e 0e 1e –10 e 0e 3e –3 e 75 e 61 e 22 e 14.0 44 e
11 e
34 e
64 e 7e
–31 e –2 e
–6 e 19 e
26 e 46 e
5e
29 e
23 e –25 e 9e 17 e 6e –14 e
53 e –1 e 31 e 36 e 34 e 8e
60 e 57 e 79 88.9 30.2 60 e 62 e 67.9 37 e
–31 e –37 e –39 e
38 e 35 e 36 e –13.7
100 kPa 186.8 217 175.4 229.6
115.4 116.6 105.8 49.0 68 e 54 e 46 e 45 e 86.3 145 e 66.3 57.6 62.8 81.4 112.6
172.3 171.2 160.6 97.9 121.3 104.7 95.9 95.3 137.7 195.2 120.0 107.1 116.9 133.2 169.2
250.4 239.5 241.6 170.1 201.8 180.4 170.8 171.1 208.0 269.5 198.2 197.2 193.6 203 e 245.4
Ref. 1 4 5 5 5 5 5 5 1,5 1 5 5 5 5 5 5 5 5 5 5
104 e 92 e 64 e 52.3 47 e 47 e 45 e 45 e 38 e 41 e 32 e 35 e 36 e 22 e 35 e 39 e 33 e 109 e 93 e 60 e 51.5 78.4 138 e 103 e 82 e 77 e 66.8 82 e 191.9 197.9 102 e 99 e 125 135.2 70.3 99 e 97 e 110.3 74 e
159.2 145.7 113.3 101.1 94.8 95.1 93.1 92.6 84.9 88.4 78.5 82.7 85.6 68.3 83.2 89.1 82.8 157.3 139 e 111.6 101.8 127.1 200.9 157.5 118 e 127.7 118.8 132.9 239.3 246.0 159.1 156.0 187 196.0 124.5 153.1 147.8 165 e 126.7
240.0 225.3 185.7 173.7 166.5 167.3 165.2 164.6 155.4 159.4 148.4 155.2 159.8 137.0 156.5 165.5 158.7 230.6 210 e 186.2 172.8 202.9 275.3 238.6 139 e 202.0 193.9 210.4 299.6 308.1 244.1 240.5 271 279.4 202.1 233.8 228.5 237 e 204.9
5 5 5 16 5 5 5 5 5 5 5 5 5 5 5 5 5 1,39 5 5 5 5 5 5 5 5 5 5 5 5 1 1 4 5 5 5 5 5 5
4/29/05 4:18:24 PM
Vapor Pressure Mol. form. C11H16 C11H16 C11H16 C11H16 C11H20 C11H20 C11H20O2 C11H20O4 C11H21N C11H22 C11H22 C11H22 C11H22 C11H22 C11H22 C11H22 C11H22 C11H22 C11H22O C11H22O C11H22O2 C11H22O2 C11H22O2 C11H22O2 C11H24 C11H24 C11H24 C11H24 C11H24 C11H24O C11H24S C12F27N C12H8 C12H9N C12H10 C12H10 C12H10N2 C12H10O C12H10O C12H10O C12H10S C12H11N C12H12 C12H12 C12H12 C12H12 C12H14O4 C12H16 C12H16 C12H16O2 C12H18 C12H18 C12H18 C12H18 C12H18 C12H18 C12H20O2 C12H20O4 C12H22 C12H22
Section6.indb 81
Name p-tert-Butyltoluene 1,3-Diethyl-5-methylbenzene 2-Ethyl-1,3,5-trimethylbenzene 1-Ethyl-2,4,5-trimethylbenzene 1-Undecyne 2-Undecyne 10-Undecenoic acid Ethyl diethylmalonate Undecanenitrile 1-Undecene cis-2-Undecene trans-2-Undecene cis-4-Undecene trans-4-Undecene cis-5-Undecene trans-5-Undecene Pentylcyclohexane Hexylcyclopentane 2-Undecanone 6-Undecanone Undecanoic acid Heptyl butanoate Propyl octanoate Methyl decanoate Undecane 2-Methyldecane 3-Methyldecane 4-Methyldecane 2,4,7-Trimethyloctane 1-Undecanol 1-Undecanethiol Trinonafluorobutylamine Acenaphthylene Carbazole Acenaphthene Biphenyl Azobenzene Diphenyl ether 1-Acetonaphthone 2-Acetonaphthone Diphenyl sulfide Diphenylamine 1-Ethylnaphthalene 2-Ethylnaphthalene 1,2-Dimethylnaphthalene 2,7-Dimethylnaphthalene Diethyl phthalate p-Isopropenylisopropylbenzene Cyclohexylbenzene 3-Methylbutyl benzoate Hexylbenzene 1,2-Diisopropylbenzene 1,3-Diisopropylbenzene 1,4-Diisopropylbenzene Hexamethylbenzene 1,5,9-Cyclododecatriene Geranyl acetate Dibutyl maleate 1-Dodecyne Cyclohexylcyclohexane
6-81 1 Pa –24 e –26 e –13 e –22 e –17 e 35 e
–21.6 –14 e –14 e –19 e –17 e –19 e –18 e –17 e –15 e 17 e 68 e 2e –2 e 10 e –18.4 –20 e –35 e –38 e 52.2 23 e 24 s
37 e 48.3 s 20 e 48 s 16 e 14 e 26 e 31.5 s 12 e –11 e
–2 e –14 e –14 e –6 e 46.3 s –14 e 12.3 –11 e
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa –2 e 27 e 64.1 115.5 –1 e 29.5 69.5 123.5 6e 36 e 75.7 129.6 11 e 40 e 79.4 132.1 0e 29 e 67 e 118.5 6e 35 e 74 e 127.4 67 e 105 e 150.0 205.4 74 e 105 e 149.4 78.6 120.3 177.3 1.2 29.7 66.4 117.1 7e 34 e 70.2 120.6 7e 33 e 69.3 119.6 3e 30 e 66.6 117.1 4e 31 e 67.1 117.4 2e 30 e 66.2 116.7 3e 31 e 67.0 117.4 6e 34 e 72 e 124.2 7e 36 e 73 e 125.0 37 e 64.3 103.0 153.6 28 e 57 e 95 e 148.4 90 e 118 e 156 e 207.2 29 e 62 e 102.6 155.1 23 e 55 e 94.0 145.2 33 e 62 e 100.9 154.0 4.3 32.6 69.5 120.2 1e 28 e 64 e 114.0 –10 e 22 e 61.9 115.6 –12 e 20 e 60.8 113.9 43 e 94 e 80.0 82 e 118 e 167.6 47 e 77 e 118 e 173.6 3e 29.0 63.3 109.9 49.8 s 80.6 s 254.7 126.2 187 e 69.0 111.1 169.5 98.1 144.8 206.7 44 e 75 e 116 e 173 e 69 e 107.0 154.6 215.2 118.7 163.0 221.1 51 e 88.7 137.5 202.2 102.8 150.5 213.7 41 e 72 e 114 e 171.8 39 e 71 e 113 e 171.2 51 e 82 e 123 e 180.5 53.1 s 78.8 s 115.9 175 e 51 e 96 e 150.5 215.9 15 e 46 e 87 e 142.4 28 e 58 e 98 e 154.7 66 e 115.0 177.7 22 e 51 e 90 e 144.5 9e 37 e 74 e 125.9 8e 36 e 74 e 125.5 18 e 49 e 90 e 148.8 72.5 s 81.7 s 121.8 s 178.3 11 e 44 e 87 e 145.0 67.7 110.8 166.9 50.4 94.0 144.2 203 e 13 e 43 e 82 e 135.8 20 e 53.1 96.0 154.1
100 kPa 190.8 200.2 207.6 207.7 194.5 205.4 274.5 219 e 259.9 192.2 196 e 195 e 192 e 193 e 191 e 192 e 202.7 202.5 232.6 226.9 283.6 224.7 215 e 232 e 195.4 188.7 190.4 186.4 170.4 244.1 256.8 176.8 354.0 276 e 254.7 292.7 257.4 294.9 300.3 291.8 301.4 257.7 257.3 265.7 260 e 296.2 221 e 239.5 261.4 225.5 203.2 202.6 238 e 263.7 229.8 242.9 272 e 214.4 237.2
Ref. 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 1,5 1 5 5 5 5 16 5 5 5 5 5 5 5 5 5 1 1 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5
4/29/05 4:18:26 PM
Vapor Pressure
6-82 Mol. form. C12H22O2 C12H22O4 C12H23N C12H24 C12H24 C12H24 C12H24O C12H24O2 C12H24O2 C12H24O2 C12H25Br C12H25Cl C12H26 C12H26O C12H26O3 C12H27N C12H27N C12H27O4P C12H36O6Si6 C13H9N C13H9N C13H10 C13H10O2 C13H10O3 C13H12 C13H13N C13H14 C13H20 C13H24O2 C13H26 C13H26 C13H26 C13H26O2 C13H26O2 C13H28 C13H28O C14H10 C14H10 C14H10O2 C14H12 C14H12 C14H12O2 C14H14 C14H15N C14H16 C14H16 C14H22 C14H26O4 C14H27N C14H28 C14H28 C14H28 C14H28O2 C14H30 C14H30O C14H31N C14H42O5Si6 C15H18 C15H24 C15H30
Section6.indb 82
Name Methyl 10-undecenoate Dimethyl sebacate Dodecanenitrile 1-Dodecene Hexylcyclohexane Heptylcyclopentane Dodecanal Dodecanoic acid Decyl acetate Ethyl decanoate 1-Bromododecane 1-Chlorododecane Dodecane 1-Dodecanol Diethylene glycol dibutyl ether Tributylamine Triisobutylamine Tributyl phosphate Dodecamethylcyclohexasiloxane Acridine Phenanthridine Fluorene Phenyl benzoate Phenyl salicylate Diphenylmethane Methyldiphenylamine 1-Isopropylnaphthalene Heptylbenzene Ethyl 10-undecenoate 1-Tridecene Heptylcyclohexane Octylcyclopentane Tridecanoic acid Methyl dodecanoate Tridecane 1-Tridecanol Anthracene Phenanthrene Benzil cis-Stilbene trans-Stilbene Benzoin 1,1-Diphenylethane Dibenzylamine 1-Butylnaphthalene 2-Butylnaphthalene Octylbenzene Diethyl sebacate Tetradecanenitrile 1-Tetradecene Octylcyclohexane Nonylcyclopentane Tetradecanoic acid Tetradecane 1-Tetradecanol Tetradecylamine Tetradecamethylhexasiloxane 1-Pentylnaphthalene Nonylbenzene Nonylcyclohexane
1 Pa 10 e 36 e –8.3 –3 e –1 e 78 e 12 e 8e 31 e 27 e –5.4 5e –26 e
18 e 79 s 48.4 s
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa 38 e 73 e 116 e 172.2 53 e 97 150 214 60 e 92 e 133 e 190.5 15.2 44.8 82.9 135.4 20 e 50 e 89 e 143.1 22 e 51 e 90 e 143.5 70 e 116.2 175.9 100 e 128 e 166 e 219.1 40 e 74 e 115.1 168.1 35 e 69 e 111.8 166.1 57 e 90 e 132 e 190.8 51 e 81 e 122 e 178.7 18.2 47.6 85.8 138.2 133 e 185.0 34.4 70.2 115.3 174.1 1e 35 e 77.7 134.5 1e 28.9 64.9 112.5 205 e 41 e 69 e 108 e 162.2 124.4 176.2 246.0
102.3
35 e 27 e 12 e 32 e 4.1 11 e 13 e 87 e 38 e 7.2 71.6 89.2 s 53 s
45 e 63 e 51 e 36 e 55 e 28.5 34 e 36 e 109 e 61 e 31.5 101.0 125.9 s 83 s
26 e
54 e
19 e 48 e 67 e 44 e 20.1 52 e 16.1 16.9 25 e 96 e 19.1 80.0
47 e 77 e 82 e 67 e 46.2 83 e 79 e 41.3 44.3 49 e 118 e 44.1 110.5
6e 34 e 33.0 35 e
36 e 62 e 58.9 60 e
77 e 98.4 82 e 66 e 86 e 59.0 65 e 66 e 138 e 90 e 61.8 103 e 151.5 s 120.8 123 88 e
82.0 113.1 103 e 98 e 79.1 120 114.0 72.7 77.8 80 e 147 e 75.3 149.6 104 e 72 e 96 e 92.0 92 e
137.4 151.4 166.0 119.3 143.1 123.2 107 e 125.2 98.3 105 e 106 e 176 e 130 e 101.1 140 e 165 s 170.4 175 130.4 155.6 181 125.3 158.9 135 e 139 e 121.9 166 159.0 113.2 120.0 120 e 186 e 115.7 152 e 147 e 117 e 141.3 135.4 134 e
205.4 217.9 224.8 177.7 201.6 180.8 162.7 179.5 152.5 160.9 160.9 230.3 184.9 155.1 192.3 238.8 238.4 246 183 e 218.1 248 181 e 218.5 186.7 197.5 178.1 225 219.7 168.7 177.6 177.2 241.3 171.1 205.3 206.1 176.0 202.2 193.7 193.4
100 kPa 247.1 293 275.5 212.8 224.2 223.5 256.6 298.1 238 e 238 e 275.3 262.6 215.8 264.1 253.8 213.4 178.5 288.3 244.7 345.4 295 e 313.3 312.4 263.6 281.6 267.3 246.2 258.4 232.3 244.3 243.1 311.5 269 e 234.9 273.1 340.2 337.7 346 253 e 305.8 342 254 e 299.4 288.6 287.4 263.8 305 306.3 250.6 263.2 261.5 325.6 253.0 286.7 290.9 259.1 289 e 281.4 280.9
Ref. 5 4 5 5 5 5 5 5 5 5 5 5 16 1 5 5 5 5 5 5 5 5 5 5 1,5 5 5 5 5 5 5 5 5 5 16 5 1,5 5 4 5 5 4 5 5 5 5 5 4 5 5 5 5 5 16 5 5 5 5 5 5
4/29/05 4:18:27 PM
Vapor Pressure Mol. form. C15H30 C15H30O2 C15H32 C16H22O4 C16H32 C16H32O2 C16H34 C16H34O C16H35N C17H10O C17H34O2 C17H36 C17H36O C18H14 C18H14 C18H14 C18H30 C18H34O2 C18H34O2 C18H36O C18H36O2 C18H38 C18H38O C19H16 C19H36O2 C19H40 C20H42 C20H42O C20H60O8Si9 C21H21O4P C21H21O4P C21H21O4P C21H44 C22H42O2 C22H42O2 C22H42O2 C22H44O2 C22H44O2 C22H46 C23H48 C24H38O4 C24H38O4 C24H50 C25H52 C26H54 C27H56 C28H58 C29H60 C30H62 C70
Section6.indb 83
Name Decylcyclopentane Methyl tetradecanoate Pentadecane Dibutyl phthalate 1-Hexadecene Hexadecanoic acid Hexadecane 1-Hexadecanol Hexadecylamine Benzanthrone Methyl hexadecanoate Heptadecane 1-Heptadecanol o-Terphenyl m-Terphenyl p-Terphenyl Hexaethylbenzene Oleic acid Elaidic acid Stearaldehyde Stearic acid Octadecane 1-Octadecanol Triphenylmethane Methyl oleate Nonadecane Eicosane 1-Eicosanol Eicosamethylnonasiloxane Tri-o-cresyl phosphate Tri-m-cresyl phosphate Tri-p-cresyl phosphate Heneicosane Brassidic acid Erucic acid Butyl oleate Behenic acid Butyl stearate Docosane Tricosane Dioctyl phthalate Bis(2-ethylhexyl) phthalate Tetracosane Pentacosane Hexacosane Heptacosane Octacosane Nonacosane Squalane Carbon (fullerene-C70)
6-83 1 Pa 37 e 30.5 38.4 41.1 99.5 63 e 65 e 51.5 94 e 66 e 87 e 127.1 s 94 e
61.5 106 e 81 s 85 e 71.1 80.4 119 e 119.0 147.8 140.6 82.3 134 e 126 e 95.5 145.4 99.6 83.5 102.9 130 e 122.0 115.0 119.7 125.1 136.7 136.5 148.2 66 e 598 s
Temperature in °C for the indicated pressure 10 Pa 100 Pa 1 kPa 10 kPa 61 e 93 e 134 e 192.5 75 e 110 155 214 56.1 88.1 129.6 186.3 104.0 142.7 191.5 254.5 65.0 98.1 140.5 198.8 136 e 165 e 205 e 261.9 67.4 100.3 142.7 200.7 130.6 171.9 175 e 229.0 91 e 126 e 171 e 232.6 184 e 229.3 290.3 377.2 93 129 177 78.5 112.0 155.3 214.5 117 e 146 e 185 e 240.1 94 e 129 e 176 e 241.3 118 e 156 e 206.6 275.3 154.7 s 217.2 284.0 144.1 206.8 126 e 165.5 214.5 277.0 124 e 166 216 280 142 e 186 e 246.9 153 e 183 e 223 e 281.6 89.0 123.1 167.3 227.6 130 e 160 e 200.5 257.3 112 e 175 e 254.6 114 e 149.7 195.6 256 e 99.1 133.8 178.8 240.1 108.9 144.2 189.8 252.1 143 e 173 e 213 e 270.0 141 e 183.1 236.7 156.1 201.0 256.3 326.3 177.3 211.4 251.3 298 e 174 e 214 e 262 e 320 e 113.5 152.2 201.6 263.8 166 e 203.6 249.8 307.6 160 e 199.4 247.4 306.5 124.2 158 e 198 e 245 e 176.5 213.7 259.3 316.2 128 e 162 e 201 e 249 e 115.0 154.0 203.6 274.8 135.1 174.8 221 e 285.3 163.7 203.8 252 e 311 e 153.2 189.2 231.3 281.1 148.1 188.5 239.1 295.4 152.7 193.2 244.4 305.0 158.8 200.1 252.1 314.3 168.8 206.5 255.8 323.3 169.8 210.9 263.1 332.0 182.8 221.2 271.5 340.2 84 e 105.8 131.9 163.7 662 s
100 kPa 278.8 295 270.1 339.4 284.3 350.2 286.3 311.7 320.5 511 e 302 e 323.3 336.3 374.6 383.0 297.5 359.7 361 336.7 374.5 316 e 343.0 360.0 340 e 330 e 344 e 355.1 307.1 418 e 355 e 392 e 355.9 382.0 381.1 304 e 390 e 307 e 368.0 379.5 385 e 341.1 390.6 401.1 411.3 421.2 430.6 439.7 203.2
Ref. 5 4 16 4 5 5 16 5 5 5 4 16 5 5 5 5 5 5 4 5 5 16 5 5 5 16 16 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 22
4/29/05 4:18:28 PM
VAPOR PRESSURE OF FLUIDS AT TEMPERATURES BELOW 300 K This table gives vapor pressures of 67 important fluids in the temperature range 2 to 300 K. Helium (4He), hydrogen (H2), and neon (Ne) are covered on this page. The remaining fluids are listed on subsequent pages by molecular formula in the Hill order (see Introduction). The data have been taken from evaluated sources; references are listed at the end of the table. Helium T/K P/kPa 2.2 5.3 2.3 6.7 2.4 8.3 2.5 10.2 2.6 12.4 2.7 14.8 2.8 17.5 2.9 20.6 3.0 24.0 3.1 27.8 3.2 32.0 3.3 36.5 3.4 41.5 3.5 47.0 3.6 52.9 3.7 59.3 3.8 66.1 3.9 73.5 4.0 81.5 4.1 90.0
T/K 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175
Hydrogen T/K P/kPa 14.0 7.90 14.5 10.38 15.0 13.43 15.5 17.12 16.0 21.53 16.5 26.74 17.0 32.84 17.5 39.92 18.0 48.08 18.5 57.39 19.0 67.96 19.5 79.89 20.0 93.26 20.5 108.2 21.0 124.7 21.5 143.1 22.0 163.2 22.5 185.3 23.0 209.4 23.5 235.7
Ar Argon 0.1 0.2 0.8 2.8 7.7 18.7 40.7 79.0 134 213 324 473 666 910 1214 1584 2027 2553 3170 3892 4736
s s s s s s s
T/K 25.0 26.0 27.0 28.0 29.0 30.0 31.0 32.0 33.0 34.0 35.0 36.0 37.0 38.0 39.0 40.0 41.0 42.0 43.0 44.0
Neon P/kPa 51.3 71.8 98.5 132.1 173.5 223.8 284.0 355.2 438.6 535.2 646.2 772.8 916.4 1078 1260 1462 1688 1939 2216 2522
BCl3 Boron trichloride
BF3 Boron trifluoride
7.7 13.4 22.3 35.2 53.7 79.1 113
Pressures are given in kilopascals (kPa). Note that: 1 kPa = 7.50062 Torr 100 kPa = 1 bar 101.325 kPa = 1 atmos â&#x20AC;&#x153;sâ&#x20AC;? following an entry indicates that the compound is solid at that temperature. Helium T/K P/kPa 4.2 99.0 4.3 108.7 4.4 119.0 4.5 129.9 4.6 141.6 4.7 153.9 4.8 167.0 4.9 180.8 5.0 195.4 5.1 210.9
Ref.
17,18
BrH Hydrogen bromide
0.1 0.3 0.6 1.1 1.9 3.3 5.4 8.7 13.4
s s s s s s s s s
Br2 Bromine
Hydrogen T/K P/kPa 24.0 264.2 24.5 295.1 25.0 328.5 25.5 364.3 26.0 402.9 26.5 444.3 27.0 488.5 27.5 535.7 28.0 586.1 28.5 639.7 29.0 696.7 29.5 757.3 30.0 821.4 30.5 889.5 31.0 961.5 31.5 1038.0 32.0 1119.0 32.5 1204.0 1
T/K
Neon P/kPa
13
ClF Chlorine fluoride
ClH Hydrogen chloride
0.1 0.3 0.6 1.2 2.1 3.6 6.0 9.5 14.6 21.8 31.7 44.8 62.0
0.1 0.3 0.5 1.0 1.9 3.4 5.8 9.5 14.7 22.0 31.9 45.1
s s s s s s s s
6-84
Section6.indb 84
4/29/05 4:18:32 PM
Vapor Pressure of Fluids at Temperatures Below 300 K
T/K 180 185 190 195 200 205 210 215 220 225 230 235 240 245 250 255 260 265 270 275 280 285 290 295 300 Ref.
T/K 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210
Section6.indb 85
Ar Argon
8,15 ClO2 Chlorine dioxide
BCl3 Boron trichloride 0.1 0.2 0.3 0.5 0.8 1.2 1.8 2.6 3.8 5.2 7.2 9.7 12.9 17.0 22.0 28.1 35.6 44.5 55.1 67.6 82.2 99.1 119 141 166 12 Cl2 Chlorine
BF3 Boron trifluoride 157 214 285 372 479 608 762 944 1160 1413 1709 2056 2460 2913 3481 4123 4874
12 Cl4Si Silicon tetrachloride
6-85 BrH Hydrogen bromide 20.1 s 29.5 s 37.9 51.8 69.5 91.8 119 153 194 242 299 366 443 532 633 748 878 1023 1185 1364 1562 1780 2018 2278 2561 12 FH Hydrogen fluoride
Br2 Bromine
0.1 0.2 0.3 0.4 0.7 1.1 1.7 2.6 3.8 5.5 7.3 9.5 12.3 15.6 19.7 24.6 30.5 12 F2 Fluorine 0.4 1.5 4.8 12.3 27.6 55.3 101 172 276 420 615 870 1196 1605 2108 2721 3458 4339
0.1 0.3 0.5 0.9
1.8 2.8 4.2 6.1 8.7 12.3 16.9 22.9
0.1
0.3 0.5 0.8 1.2 1.7
s s s s s s s s s s
ClF Chlorine fluoride 84.2 112 147 190 242 304 378 464 564 680 812 961 1130 1319 1529 1762 2019 2301 2608 2941 3303 3693 4111 4560 5039 12
ClH Hydrogen chloride 62.5 84.7 113 148 190 242 304 377 463 563 678 811 961 1132 1325 1542 1784 2054 2354 2686 3053 3457 3901 4388 4921 12
F2O Difluorine oxide
F3N Nitrogen trifluoride
0.1 0.2 0.5 1.2 2.6 5.3 10.1 18.0 30.5 49.3 76.7 115 168 237 328 444 588 766 981 1238 1541 1895 2303 2771 3302 3899 4567 5308
0.1 0.2 0.4 0.9 2.0 4.0 7.3 12.8 21.1 33.5 51.1 75.4 108 150 205 273 357 459 581 726 896 1092 1319 1578 1871 2203
4/29/05 4:18:33 PM
Vapor Pressure of Fluids at Temperatures Below 300 K
6-86
T/K 215 220 225 230 235 240 245 250 255 260 265 270 275 280 285 290 295 300 Ref.
T/K 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230 235 240 245 250 255 260 265 270 275 280 285 290 295 300 Ref.
Section6.indb 86
ClO2 Chlorine dioxide 1.4 2.3 3.5 5.3 7.6 10.8 14.9 20.1 26.6 34.6 44.4 56.1 69.9 86.2 105 127 151 179 12 F3P Phosphorus trifluoride 0.1 0.2 0.5 1.0 1.9 3.5 5.9 9.5 14.9 22.5 33.1 47.3 66.0 90.1 121 159 206 262 330 410 503 611 736 877 1037 1217 1418 1640 1885 2154 2448 2767 3112
12
Cl2 Chlorine 30.5 40.1 51.9 66.4 84.0 105 130 160 194 234 280 332 392 459 535 619 714 818 5
Cl4Si Silicon tetrachloride 0.2 0.3 0.5 0.7 1.0 1.5 2.0 2.8 3.8 5.0 6.6 8.6 11.1 14.2 17.9 22.3 27.7 34.0 12
FH Hydrogen fluoride 2.3 3.2 4.4 5.9 7.9 10.3 13.4 17.2 21.8 27.4 34.2 42.2 51.8 63.1 76.3 91.7 110 130 12
F4Si Silicon tetrafluoride
F6S Sulfur hexafluoride
HI Hydrogen iodide
0.1 0.2 0.4 0.9 1.9 3.8 7.5 14.0 25.2 43.8 74.2 122 197 280 376 488 618 766 932 1117 1324 1555 1816 2111 2449 2841 3301
12
s s s s s s s s s s s s s
0.1 0.2 0.4 0.8 1.5 2.6 4.4 7.1 11.3 17.3 25.9 38.0 54.4 76.6 106 145 195 249 305 371 448 536 636 750 878 1021 1181 1358 1554 1768 2003 2258 2534 12,15
s s s s s s s s s s s s s s s s s
0.1 0.2 0.4 0.8 1.3 2.2 3.4 5.3 8.0 11.7 16.8 23.6 32.5 44.0 56.2 71.4 89.7 112 137 168 203 244 290 343 404 472 548 633 727 831 12
s s s s s s s s s s s s s s
F2O Difluorine oxide
F2 Fluorine
12
12
H2S Hydrogen sulfide
0.1 0.2 0.3 0.6 1.1 1.9 3.2 5.2 8.3 12.7 18.9 26.6 36.7 49.8 66.4 87.1 113 144 182 227 281 344 416 500 597 706 830 969 1124 1297 1488 1698 1929 2181 12,15
s s s s s s s s s s s
F3N Nitrogen trifluoride 2577 2995 3464 3991
1
H3N Ammonia
H3P Phosphine
0.1 0.2 0.3 0.6 1.2 2.1 3.5 5.8 8.7 12.6 17.9 24.9 34.1 45.9 60.8 79.6 103 131 165 207 256 313 381 460 552 655 774 909 1062 11
0.1 0.2 0.4 0.7 1.3 2.3 3.9 6.2 9.6 14.5 21.1 30.0 41.6 56.6 75.6 99.2 128 163 205 254 312 379 456 544 644 756 881 1019 1172 1341 1525 1725 1942 2176 2428 2699 2987 3295 3621 12
s s s s s s s s
4/29/05 4:18:35 PM
Vapor Pressure of Fluids at Temperatures Below 300 K T/K 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230 235 240 245 250 255 260 265 270 275 280 285 290 295 300 Ref.
T/K 100 105 110 115 120 125 130
Section6.indb 87
H4Si Silane
0.1 0.2 0.4 1.0 1.9 3.5 6.1 10.0 15.8 24.1 35.3 50.3 69.8 94.6 126 164 210 265 331 408 498 602 722 859 1017 1196 1398 1628 1888 2180 2509 2880 3296 3763 4288
Kr Krypton
0.1 0.4 1.1 2.7 6.0 12.1 22.8 40.4 68.0 103 150 211 290 388 509 655 830 1037 1278 1557 1877 2241 2655 3120 3641 4223 4870
NO Nitric oxide
s s s s s s s s s
0.1 0.4 1.3 3.8 10.0 23.5 46.8 86.5 151 248 391 592 867 1231 1703 2302 3050 3971 5089 6433
12
13, 15
12, 15
O3 Ozone 0.1 0.2 0.4 1.0 2.0 3.8 6.8
Rn Radon
Xe Xenon 0.1 0.1 0.3 0.7 1.5 2.7 4.9
0.1
s s s s s
6-87 N2 Nitrogen 0.4 s 1.8 s 6.3 s 17.4 38.6 76.1 137 229 361 541 779 1084 1467 1939 2513 3209
1
s s s s s s s
CBrF3 Bromotrifluoromethane
N2O Nitrous oxide
0.1 0.1 0.3 0.7 1.3 2.5 4.3 7.1 11.4 17.6 26.4 38.5 54.7 75.9 103 138 181 234 298 374 465 571 694 835 996 1179 1385 1615 1870 2152 2462 2802 3172 3573 4006 4473 4973 5508 12 CClF3 Chlorotrifluoromethane
O2 Oxygen
O2S Sulfur dioxide
0.2 0.7 2.3 6.3 14.5 30.1 56.8 99.3 163 254 379 543 756 1022 1351 1749 2225 2788 3448 4219
3 CCl2F2 Dichlorodifluoromethane
0.1 0.2 0.3 0.5 0.8 1.3 2.0 3.0 4.4 6.3 9.0 12.6 17.3 23.3 31.1 40.9 53.2 68.3 86.7 109 136 168 205 249 300 359 426 12 CCl3F Trichlorofluoromethane
0.1 0.2 0.3 0.6
4/29/05 4:18:36 PM
Vapor Pressure of Fluids at Temperatures Below 300 K
6-88
T/K 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230 235 240 245 250 255 260 265 270 275 280 285 290 295 300 Ref.
T/K 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155
Section6.indb 88
O3 Ozone 11.5 18.7 29.1 43.7 63.6 89.9 124 168 222 289 367 468 584 721 881 1068 1285 1536 1824 2155 2534 2968 3464 4031 4678 5417
12 CCl4 Tetrachloromethane
Rn Radon 0.3 0.5 0.9 1.5 2.4 3.8 5.8 8.6 12.5 17.7 24.5 33.2 44.4 58.2 75.3 96 121 151 185
15 CF4 Tetrafluoromethane
0.1 0.3 0.8 1.7 3.4 6.5 11.5 19.3 30.8 47.4 70.2 101 141 191
Xe Xenon 8.5 14.0 22.2 34.2 51.1 74.2 101 134 173 222 280 348 428 521 628 750 889 1045 1220 1416 1633 1872 2136 2425 2742 3087 3462 3869 4310 4786 5299
s s s s s s
12,13 CO Carbon monoxide 0.1 s 0.6 s 2.6 s 8.2 s 21.0 44.4 83.7 147 239 371 545 771 1067 1428 1877 2400 3064
CBrF3 Bromotrifluoromethane 0.1 0.3 0.5 0.9 1.5 2.5 3.9 5.9 8.8 12.8 18.1 25.1 34.1 45.6 60.0 77.8 99.5 126 157 194 237 287 344 410 485 570 665 771 889 1021 1166 1325 1501 1692 12
CClF3 Chlorotrifluoromethane 1.1 2.0 3.3 5.3 8.3 12.6 18.6 26.8 37.6 51.7 69.7 92.3 120 155 196 246 304 372 451 542 646 763 896 1044 1210 1394 1598 1823 2071 2343 2641 2968 3325 3716 12
COS Carbon oxysulfide
CO2 Carbon dioxide
0.1 0.2 0.4 0.8
0.1 0.2 0.4 0.8 1.7
CCl2F2 Dichlorodifluoromethane
0.1 0.3 0.5 0.8 1.3 2.1 3.2 4.8 6.9 9.9 13.7 18.8 25.2 33.3 43.3 55.5 70.4 88.1 109 134 163 196 234 278 327 383 445 515 593 679 12 CHClF2 Chlorodifluomethane
s s s s s
CCl3F Trichlorofluoromethane
0.2 0.3 0.4 0.6 1.0 1.4 2.0 2.9 4.1 5.6 7.6 10.1 13.3 17.2 22.1 28.0 35.1 43.7 53.8 65.7 79.6 95.6 114.1 12 CHCl3 Trichloromethane
0.1 0.3
4/29/05 4:18:38 PM
Vapor Pressure of Fluids at Temperatures Below 300 K
T/K 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230 235 240 245 250 255 260 265 270 275 280 285 290 295 300 Ref.
T/K 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230 235 240 245 250 255 260
Section6.indb 89
CCl4 Tetrachloromethane
1.5 2.1 2.8 3.7 4.9 6.4 8.2 10.5 13.2 16.5 12 CHF3 Trifluoromethane 0.1 0.2 0.4 0.7 1.4 2.5 4.3 7.1 11.1 17.0 25.3 36.5 51.4 70.9 95.8 127 166 214 271 340 421 516 626 754 900 1067 1257 1472 1713
CF4 Tetrafluoromethane 254 332 425 537 669 824 1005 1216 1460 1743 2073 2457 2907 3438
12
9
CHN Hydrogen cyanide
0.1 0.2 0.4 0.6 1 1.5 2.2 3.3 4.7 6.8 9.7 13.6 18.8
CO Carbon monoxide
s s s s s s s s s s s s
CH2Cl2 Dichloromethane
0.1 0.2 0.3 0.4 0.6 0.9 1.4 2.0 2.8 3.8 5.3 7.1 9.5
6-89 COS Carbon oxysulfide 1.3 2.2 3.4 5.2 7.8 11.3 15.9 22.1 30.0 40.1 52.7 68.2 87.2 110 137 169 207 250 301 358 423 497 580 673 777 892 1019 1159 1313 12 CH2F2 Difluoromethane
0.1 0.2 0.3 0.6 1.0 1.7 2.8 4.4 6.8 10.2 14.8 21.2 29.5 40.5 54.5 72.1 94.1 121 154 193 240 295 360 434 521
CO2 Carbon dioxide 3.1 5.7 9.9 16.8 27.6 44.0 68.4 104 155 227 327 465 599 734 893 1075 1283 1519 1785 2085 2419 2790 3203 3658 4161 4714 5318 5984 6713 6, 19
s s s s s s s s s s s s
CHClF2 Chlorodifluomethane 0.5 0.8 1.4 2.3 3.6 5.5 8.1 11.8 16.7 23.1 31.5 42.1 55.3 71.7 91.6 116 144 178 218 264 317 377 446 525 613 711 821 944 1080 12
CH2O CH3Cl Formaldehyde Chloromethane
1.3 2.0 3.0 4.4 6.4 9.1 12.7 17.4 23.4 31.0 40.6 52.5 67.0 84.6 106 131
2.1 3.1 4.6 6.7 9.5 13.1 17.9 24.0 31.8 41.4 53.3 67.7 85.1 106 131 159
CHCl3 Trichloromethane
0.1 0.2 0.3 0.4 0.7 1.0 1.4 2.0 2.7 3.7 5.0 6.6 8.7 11.3 14.4 18.3 22.9 28.5 12 CH3F Fluoromethane
0.6 1.2 2.1 3.6 5.9 9.3 14.1 20.9 29.9 42.0 57.6 77.4 102 133 171 216 270 333 408 495 595 711 843 993 1163 1355
4/29/05 4:18:39 PM
Vapor Pressure of Fluids at Temperatures Below 300 K
6-90
T/K 265 270 275 280 285 290 295 300 Ref.
T/K 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230 235 240 245 250 255 260 265 270 275 280 285 290 295 300 Ref.
Section6.indb 90
CHF3 Trifluoromethane 1984 2287 2624 3000 3418 3881 4393 12 CH4 Methane 0.1 0.3 0.8 2.1 4.9 10.6 20.0 34.5 57.0 88.4 133 192 269 368 491 642 824 1041 1297 1594 1937 2331 2779 3288 3865 4520
2,16
CHN Hydrogen cyanide 24.1 30.5 38.3 47.7 58.8 72.1 87.6 105.9 12,16 CH4O Methanol
0.1 0.2 0.4 0.5 0.8 1.2 1.7 2.4 3.3 4.5 6.2 8.3 11 14.4 18.7 12
CH2Cl2 Dichloromethane 12.4 16.1 20.7 26.3 33.0 41.1 50.8 62.1 12
CH2F2 Difluoromethane 620 732 860 1004 1165 1346 1547 1770 12
C2H2 Acetylene
0.1 0.3 0.7 1.3 2.6 4.6 7.8 12.8 20.6 32.2 49.0 72.9 106 146 190 244 309 385 475 579 699 837 993 1170 1370 1593 1843 2121 2429 2771 3150 3567 4028 4535 5093 12,16
s s s s s s s s s s s s s
C2H4 Ethylene
0.3 0.8 1.4 2.7 4.5 7.7 11.9 18.3 27.5 39.9 56.4 77.9 105 140 182 234 296 369 456 557 673 806 958 1128 1321 1535 1774 2039 2331 2652 3005 3391 3813 4275
4
CH2O CH3Cl Formaldehyde Chloromethane 161 193 196 232 236 277 283 327 337 385 399 450 470 524 549 606 12 12 C2H6 Ethane
0.1 0.4 0.7 1.3 2.2 3.8 6.0 9.7 15.0 21.5 31.0 42.9 59.0 78.7 104 135 172 217 271 334 407 492 590 700 826 967 1125 1301 1496 1712 1949 2210 2495 2806 3146 3515 3917 4355 2
C2H6O Dimethyl ether
0.1 0.2 0.3 0.5 0.9 1.4 2.1 3.2 4.7 6.8 9.6 13.3 18.1 24.3 32.1 41.9 53.9 68.6 86.3 108 133 162 197 237 283 335 395 463 538 623 12
CH3F Fluoromethane 1571 1813 2084 2387 2724 3099 3516 3978 12 C3H4 Propadiene
0.1 0.2 0.3 0.6 1.0 1.7 2.7 4.1 6.1 8.9 12.5 17.4 23.7 31.6 41.4 53.5 68.2 85.8 107 131 160 193 230 273 322 376 438 506 582 666 759 12
4/29/05 4:18:41 PM
Vapor Pressure of Fluids at Temperatures Below 300 K
T/K 140 145 150 155 160 165 170 175 180 185 190 195 200 205 210 215 220 225 230 235 240 245 250 255 260 265 270 275 280 285 290 295 300 Ref.
C3H6 Propylene 0.1 0.2 0.4 0.7 1.2 2.0 3.1 4.7 7.0 10.1 14.2 19.7 26.9 35.9 47.3 61.3 78.5 99.2 124 153 188 228 274 327 387 456 533 619 715 822 940 1069 1212 7
C3H8 Propane
0.8 1.4 2.2 3.3 5.0 7.3 10.5 15.0 20.1 27.0 36.0 47.0 60.0 77.0 97.0 120 148 180 218 261 311 367 431 502 582 671 769 878 998 2
C4H6 Buta-1,3diene
0.1 0.2 0.4 0.6 1.0 1.5 2.3 3.4 4.8 6.7 9.2 12.5 16.7 21.9 28.4 36.3 46.0 57.6 71.3 87.6 107 129 154 184 217 255 297 12
References 1. B. A. Younglove, Thermophysical properties of fluids. I. Ethylene, parahydrogen, nitrogen trifluoride, and oxygen, J. Phys. Chem. Ref. Data, 11, Supp. 1, 1982. 2. B. A. Younglove and J. F. Ely, Thermophysical properties of fluids. II. Methane, ethane, propane, isobutane, and normal butane, J. Phys. Chem. Ref. Data, 16, 577, 1987. 3. W. Wagner, et al., International Tables for the Fluid State: Oxygen, Blackwell Scientific Publications, Oxford, 1987. 4. R. T. Jacobsen, et al., International Tables for the Fluid State: Ethylene, Blackwell Scientific Publications, Oxford, 1988. 5. S. Angus, et al., International Tables for the Fluid State: Chlorine, Pergamon Press, Oxford, 1985. 6. S. Angus, et al., International Tables for the Fluid State: Carbon Dioxide, Pergamon Press, Oxford, 1976. 7. S. Angus, et al., International Tables for the Fluid State: Propylene, Pergamon Press, Oxford, 1980. 8. R. B. Stewart and R. T. Jacobsen, Thermophysical properties of argon, J. Phys. Chem. Ref. Data, 18, 639, 1989. 9. R. D. Goodwin, Carbon monoxide thermophysical properties, J. Phys. Chem. Ref. Data, 14, 849, 1985.
Section6.indb 91
6-91 C4H10 Butane
0.1 0.2 0.3 0.5 0.8 1.3 1.9 2.8 4.0 5.7 7.8 10.6 14.1 18.5 24.1 30.9 39.1 49.1 61.0 75.0 91.5 111 133 159 188 221 258 2
C4H10 Isobutane
0.1 0.1 0.3 0.4 0.7 1.1 1.7 2.5 3.7 5.3 7.4 10.2 13.8 18.3 24.0 31.1 39.8 50.3 62.9 77.8 95.4 116 140 167 198 234 274 319 370 2
C5H12 Pentane
1.0 1.5 2.1 3.0 4.2 5.7 7.6 10.0 13.0 16.6 21.1 26.6 33.1 40.8 50.0 60.7 73.2 14
C5H12 Neopentane
0.1 0.2 0.4 0.7 1.1 1.6 2.4 3.6 5.2 7.3 10.2 13.9 18.7 24.8 32.4 41.6 51.4 63.0 76.6 92.3 111 131 155 182 12,16
s s s s s s s s s s s s s s s
10. R. D. Goodwin, Methanol thermophysical properties, J. Phys. Chem. Ref. Data, 16, 799, 1987. 11. L. Haar, Thermodynamic properties of ammonia, J. Phys. Chem. Ref. Data, 7, 635, 1978. 12. DIPPR Data Compilation of Pure Compound Properties, Design Institute for Physical Properties Data, American Institute of Chemical Engineers, 1987. 13. V. A. Rabinovich, et al., Thermophysical Properties of Neon, Argon, Krypton, and Xenon, Hemisphere Publishing Corp., New York, 1987. 14. K. N. Marsh, Recommended Reference Methods for the Realization of Physicochemical Properties, Blackwell Scientific Publications, Oxford, 1987. 15. TRC Thermodynamic Tables: Non-Hydrocarbons, Thermodynamic Research Center, Texas A & M University, College Station, Texas, 1985. 16. R. M. Stevenson and S. Malanowski, Handbook of the Thermodynamics of Organic Compounds, Elsevier, New York, 1987. 17. S. Angus and K. M. de Reuck, International Tables of the Fluid State: Helium-4, Pergamon Press, Oxford, 1977. 18. R. D. McCarty, J. Phys. Chem. Ref. Data, 2, 923, 1973. 19. R. Span and W. Wagner, J. Phys. Chem. Ref. Data, 25, 1509, 1996.
4/29/05 4:18:41 PM
IUPAC Recommended Data for Vapor Pressure Calibration These precise vapor pressure values are recommended as secondary standards. Values are given in kPa (1 kPa = 0.0098692 atm = 7.5006 Torr). Reprinted by permission of IUPAC.
T/K 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 410 420 430 440 450 460 470 480 490 500 510 520 530 540 550 560 570 580 590 600
CO2(s) 27.62 68.44 155.11 327.17
H2O(s)
0.0002 0.0007 0.0026 0.0089 0.0273 0.0760 0.1958 0.4701
C10H8(s) 3.04·10-11 4.33·10-10 4.69·10-9 4.02·10-8 2.82·10-7 1.66·10-6 8.37·10-6 3.69·10-5 1.446·10-4 5.09·10-4 0.00163 0.004798 0.01308 0.03328 0.07956 0.1797 0.3854 0.7884
References 1. Marsh, K.N., Ed., Recommended Reference Materials for the Realization of Physicochemical Properties, Blackwell Scientific Publications, Oxford, 1987. 2. Ruzicka, K., Fulem, M., and Ruzicka, V., “Recommended Vapor Pressure of Solid Naphthalene”, J. Chem. Eng. Data, 50, 1956–1970, 2005.
n–C5H12
7.60 12.98 21.15 33.11 50.01 73.17 104.07 144.3 195.7 260.1 339.4 435.9 551.5 688.8 850.2 1038 1256 1507 1793 2120 2490 2910
C6H6
C6F6
5.148 8.606 13.816 21.389 32.054 46.656 66.152 91.609 124.192 165.2 215.9 277.7 353.2 441.0 545.5 667.6 808.8 971.1 1156 1366 1602 1868 2164 2494 2861 3267 3717 4216 4770
4.322 7.463 12.328 19.576 30.009 44.578 64.380 90.664 124.816 168.4 223.0 290.4 372.6 471.5 589.3 728.3 890.9 1080 1297 1547 1833 2159 2530 2954
H2O
0.485 0.991 1.919 3.535 6.228 10.540 17.202 27.167 41.647 62.139 90.453 128.74 179.48 245.54 330.15 436.89 569.73 732.99 931.36 1169.9 1453.9 1789.0 2181.4 2637.3 3163.3 3766.4 4453.9 5233.5 6113.4 7102.0 8208.6 9443.0 10816 12339
Hg
0.138 0.215 0.329 0.493 0.724 1.045 1.485 2.078 2.866 3.899 5.239 6.955 9.131 11.861 15.256 19.438 25.547 30.74 38.19 47.09 57.64
6-94
487_S06.indb 94
3/14/06 3:08:00 PM
ENTHALPY OF VAPORIZATION The molar enthalpy (heat) of vaporization ∆vapH, which is defined as the enthalpy change in the conversion of one mole of liquid to gas at constant temperature, is tabulated here for about 950 inorganic and organic compounds. Values are given, when available, both at the normal boiling point tb, referred to a pressure of 101.325 kPa (760 mmHg), and at 25°C. The values in this table were measured either by calorimetric techniques or by application of the Claperyon equation to the variation of vapor pressure with temperature. See Reference 1 for a discussion of the accuracy of different experimental techniques and methods of estimating enthalpy of vaporization at other temperatures. Several of the references present empirical techniques for correlating enthalpy of vaporization with molecular structure. Compounds are listed by systematic name, with compounds not containing carbon preceding those that do contain carbon. To locate a compound by molecular formula or CAS Registry Number, use the indexes to the table “Physical Constants of Organic Compounds” in Section 3, which point to the entry in that table from which the name can be determined.
References 1. Majer, V., and Svoboda, V., Enthalpies of Vaporization of Organic Compounds, Blackwell Scientific Publications, Oxford, 1985.
Name Compounds not containing carbon Aluminum Aluminum borohydride Aluminum bromide Aluminum iodide Ammonia Antimony(III) bromide Antimony(III) chloride Antimony(III) iodide Argon Arsenic(III) bromide Arsenic(III) chloride Arsenic(III) fluoride Arsenic(V) fluoride Arsenic(III) iodide Arsine Barium Beryllium chloride Beryllium iodide Bismuth Bismuth tribromide Bismuth trichloride Boron Boron tribromide Boron trichloride Boron trifluoride Boron triiodide
2. Chase, M. W., Davies, C. A., Downey, J. R., Frurip, D. J., McDonald, R. A., and Syverud, A. N., JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data, 14, Suppl. 1, 1985. 3. Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, Sixth Edition, II/4, Caloric Quantities of State, Springer-Verlag, Heidelberg, 1961. 4. Daubert, T. E., Danner, R. P., Sibul, H. M., and Stebbins, C. C., Physical and Thermodynamic Properties of Pure Compounds: Data Compilation, extant 1994 (core with 4 supplements), Taylor & Francis, Bristol, PA. 5. Ruzicka, K., and Majer, V., Simultaneous Treatment of Vapor Pressures and Related Thermal Data Between the Triple and Normal Boiling Temperatures for n-Alkanes C5–C20, J. Phys. Chem. Ref. Data, 23, 1, 1994. 6. Verevkin, S. P., Thermochemistry of Amines: Experimental Standard Molar Enthalpies of Formation of Some Aliphatic and Aromatic Amines, J. Chem. Thermodynamics, 29, 891, 1997. 7. Cady, G. H., and Hargreaves, G. B., The Vapor Pressure of Some Heavy Transition Metal Hexafluorides, J. Chem. Soc., 1563, 1578, 1961. 8. Steele, W. V., Chirico, R. D., Knipmeyer, S. E., and Nguyen, A., J. Chem. Eng. Data 41, 1255, 1996. 9. Nichols, G., et al., J. Chem. Eng. Data 51, 475, 2006. 10. Dias, A. M. A., et al., J. Chem. Eng. Data 50, 1328, 2005. 11. Umnahanant, P., et al., J. Chem. Eng. Data 51, 2246, 2006. 12. Raganov, G. N., Pisarev, P. N., and Emel’yanenko, V. N., J. Chem. Eng. Data 50, 1114, 2005. 13. Verevkin, S. P., et al., J. Chem. Eng. Data 51, 1896, 2006. 14. Verevkin, S. P., J. Chem. Thermodynamics 38, 1111, 2006.
Mol. Form. Al AlB3H12 AlBr3 AlI3 H3N Br3Sb Cl3Sb I3Sb Ar AsBr3 AsCl3 AsF3 AsF5 AsI3 AsH3 Ba BeCl2 BeI2 Bi BiBr3 BiCl3 B BBr3 BCl3 BF3 BI3
tb °C
ΔvapH(tb) kJ/mol
2519 44.5 255 382 –33.33 288 220.3 400 –185.85 221 130 57.13 –52.8 424 –62.5 1897 482 590 1564 462 441 4000 91.3 12.5 –99.9 209.5
294 30 23.5 32.2 23.33 59 45.19 68.6 6.43 41.8 35.01 29.7 20.8 59.3 16.69 140 105 70.5 151 75.4 72.61 480 30.5 23.77 19.33 40.5
ΔvapH(25°C) kJ/mol
19.86
23.1
6-101
Enthalpy of Vaporization
6-102 Name
Bromine Bromine fluoride Bromine pentafluoride Bromine trifluoride Bromosilane Cadmium Cadmium bromide Cadmium chloride Cadmium fluoride Cadmium iodide Chlorine Chlorine dioxide Chlorine fluoride Chlorine monoxide Chlorine trifluoride Chlorosilane Chlorotrifluorosilane Chromium(II) chloride
Chromium(VI) dichloride dioxide Diborane Dibromosilane Dichlorodifluorosilane Dichlorosilane Difluorine dioxide Difluorosilane Digermane Diphosphine Disilane Fluorine Fluorine monoxide Fluorosilane Gallium Gallium(III) bromide Gallium(III) chloride Gallium(III) iodide Germane Germanium Germanium(IV) bromide Germanium(IV) chloride Gold Helium Hydrazine Hydrazoic acid Hydrogen Hydrogen bromide Hydrogen chloride Hydrogen disulfide Hydrogen iodide Hydrogen peroxide Hydrogen selenide Hydrogen sulfide Hydrogen telluride Indium(I) bromide Indium(I) iodide Iodine
Mol. Form. Br2 BrF BrF5 BrF3 BrH3Si Cd Br2Cd CdCl2 CdF2 CdI2 Cl2 ClO2 ClF Cl2O ClF3 ClH3Si ClF3Si Cl2Cr
Cl2CrO2 B2H6 Br2H2Si Cl2F2Si Cl2H2Si F2O2 F2H2Si Ge2H6 H4P2 H6Si2 F2 F2O FH3Si Ga Br3Ga Cl3Ga GaI3 GeH4 Ge Br4Ge Cl4Ge Au He H4N2 HN3 H2 BrH ClH H2S2 HI H2O2 H2Se H2S H2Te BrIn IIn I2
tb °C 58.8 20 41.3 125.8 1.9 767 863 964 1750 744 –34.04 11 –101.1 2.2 11.75 –30.4 –70.0
ΔvapH(tb) kJ/mol 29.96 25.1 30.6 47.57 24.4 99.87 115 124.3 214 115 20.41 30 24 25.9 27.53 21 18.7
1120 117 –92.49 66 –32 8.3 –57 –77.8 29 63.5 –14.8 –188.12 –144.3 –98.6 2204 279 201 340 –88.1 2833 186.35 86.55 2856 –268.93 113.55 35.7 –252.76 –66.38 –85 70.7 –35.55 150.2 –41.25 –59.55 –2 656 712 184.4
197 35.1 14.28 31 21.2 25 19.1 16.3 25.1 28.8 21.2 6.62 11.09 18.8 254 38.9 23.9 56.5 14.06 334 41.4 27.9 324 0.08 41.8 30.5 0.90 16.15 19.76 19.7 18.67 19.2 92 90.8 41.57
ΔvapH(25°C) kJ/mol 30.91
17.65
24.2
44.7
12.69 9.08 33.78 17.36 51.6 14.08
Enthalpy of Vaporization Name Iodine pentafluoride Iridium(VI) fluoride Krypton Lead Lead(II) bromide Lead(II) chloride Lead(II) fluoride Lead(II) iodide Lithium fluoride Lithium hydroxide Mercury Mercury(II) bromide Mercury(II) chloride Mercury(II) iodide Molybdenum(V) chloride Molybdenum(V) fluoride Molybdenum(VI) fluoride Molybdenum(VI) oxide Molybdenum(VI) oxytetrafluoride Neon Niobium(V) chloride Niobium(V) fluoride Nitric acid Nitric oxide Nitrogen Nitrogen tetroxide Nitrogen trifluoride Nitrosyl chloride Nitrosyl fluoride Nitrous oxide Nitryl chloride Nitryl fluoride Osmium(V) fluoride Osmium(VI) fluoride Oxygen Pentaborane(11) Perchloryl fluoride Phosphine Phosphorothioc trifluoride Phosphorus Phosphorus(III) bromide Phosphorus(III) chloride Phosphorus(III) chloride difluoride Phosphorus(III) dichloride fluoride Phosphorus(III) fluoride Phosphorus(V) fluoride Phosphorus(III) iodide Phosphoryl bromide Phosphoryl chloride Rhenium(VII) dioxytrifluoride Rhenium(V) fluoride Rhenium(VI) fluoride Rhenium(VI) oxytetrafluoride Selenium Selenium tetrafluoride
6-103 Mol. Form. F5I F6Ir Kr Pb Br2Pb Cl2Pb F2Pb I2Pb FLi HLiO Hg Br2Hg Cl2Hg HgI2 Cl5Mo F5Mo F6Mo MoO3 F4MoO Ne Cl5Nb F5Nb HNO3 NO N2 N2O4 F3N ClNO FNO N 2O ClNO2 FNO2 F5Os F6Os O2 B5H11 ClFO3 H3P F3PS P Br3P Cl3P ClF2P Cl2FP F3P F5P I3P Br3OP Cl3OP F3O2Re F5Re F6Re F4ORe Se F4Se
tb °C 100.5 53.6 –153.34 1749 892 951 1293 872 1673 1626 356.62 318 304 351 268 213.6 34.0
ΔvapH(tb) kJ/mol 41.3 30.9 9.08 179.5 133 127 160.4 104 147 188 59.11 58.89 58.9 59.2 62.8 51.8 29.0
1155 186.0 –246.05 247.4 234 83 –151.74 –195.79 21.15 –128.75 –5.5 –59.9 –88.48 –15 –72.4 233 47.5 –182.95 65 –46.75 –87.75 –52.25 280.5 173.2 76 –47.3 13.85 –101.8 –84.6 227 191.7 105.5 185.4 221.3 33.8 171.7 685 101.6
138 50.6 1.71 52.7 52.3
ΔvapH(25°C) kJ/mol
39.1 13.83 5.57 38.12 11.56 25.78 19.28 16.53 25.7 18.05 65.6 28.1 6.82 31.8 19.33 14.6 19.6 12.4 38.8 30.5 17.6 24.9 16.5 17.2 43.9 38 34.35 65.7 58.1 28.7 61.0 95.48 47.2
14.2 32.1
38.6
Enthalpy of Vaporization
6-104 Name
Silane Silver(I) bromide Silver(I) chloride Silver(I) iodide Sodium hydroxide Stannane Stibine Sulfur Sulfur dioxide Sulfur hexafluoride Sulfur tetrafluoride Sulfur trioxide Sulfuryl chloride Tantalum(V) bromide Tantalum(V) chloride Tantalum(V) fluoride Tellurium Tellurium tetrachloride
Tetraborane(10) Tetrabromosilane Tetrachlorosilane Tetrafluorodiborane Tetrafluorohydrazine Tetraiodosilane Thallium(I) bromide Thallium(I) chloride Thallium(I) iodide Thallium(I) sulfide Thionitrosyl fluoride (NSF) Thionyl chloride Thionyl fluoride Thorium(IV) chloride Thorium(IV) fluoride Tin(II) bromide Tin(IV) bromide Tin(II) chloride Tin(IV) chloride Tin(II) iodide Tin(IV) iodide Titanium(IV) bromide Titanium(II) chloride Titanium(III) chloride Titanium(IV) chloride Titanium(IV) iodide Tribromosilane Trichlorosilane Trifluorosilane Trigermane Trisilane Tungsten(VI) chloride Tungsten(VI) fluoride Tungsten(VI) oxytetrachloride Tungsten(VI) oxytetrafluoride Vanadium(IV) chloride Vanadium(V) fluoride
Mol. Form. H4Si AgBr AgCl AgI HNaO H4Sn H3Sb S O2S F6S F4S O3S Cl2O2S Br5Ta Cl5Ta F5Ta Te Cl4Te
B4H10 Br4Si Cl4Si B2F4 F4N2 I4Si BrTl ClTl ITl STl2 FNS Cl2OS F2OS Cl4Th F4Th Br2Sn Br4Sn Cl2Sn Cl4Sn I2Sn I4Sn Br4Ti Cl2Ti Cl3Ti Cl4Ti I4Ti Br3HSi Cl3HSi F3HSi Ge3H8 H8Si3 Cl6W F6W Cl4OW F4OW Cl4V F5V
tb °C –111.9 1502 1547 1506 1388 –51.8 –17 444.61 –10.05
ΔvapH(tb) kJ/mol 12.1 198 199 143.9 175 19.05 21.3 45 24.94
–40.45 44.5 69.4 348.8 239 229.5 988
26.44 40.69 31.4 62.3 54.8 56.9 114.1
387 18 154 57.65 –34.0 –74 287.35 819 720 824 1367 4.8 75.6 –43.8 921 1680 639 205 623 114.15 714 364.35 233.5 1500 960 136.45 377 109 33 –95 110.5 52.9 337 17.1 230 185.9 151 48.3
77 27.1 37.9 28.7 28 13.27 50.2 99.56 102.2 104.7 154 22.2 31.7 21.8 146.4 258 102 43.5 86.8 34.9 105 56.9 44.37 232 124 36.2 58.4 34.8
ΔvapH(25°C) kJ/mol
22.92 8.99 43.14 30.1
29.7
31
25.7 16.2 32.2 28.5 52.7 26.5 67.8 59.5 41.4 44.52
42.5
Enthalpy of Vaporization
6-105
Name Vanadyl trichloride Water Xenon Zinc bromide Zinc chloride Zinc fluoride
Mol. Form. Cl3OV H2O Xe Br2Zn Cl2Zn F2Zn
Compounds containing carbon Acetaldehyde Acetic acid Acetic anhydride Acetone Acetonitrile Acetophenone Acrolein Acrylonitrile Allyl acetate Allyl alcohol
C2H4O C2H4O2 C4H6O3 C3H6O C2H3N C8H8O C3H4O C3H3N C5H8O2 C3H6O
2-Amino-2-methyl-1-propanol Aniline Anisole Azobutane Azopropane Benzaldehyde Benzene Benzenethiol Benzonitrile Benzyl acetate Benzyl alcohol Benzylamine N-Benzylaniline Benzyl benzoate Bis(2-chloroethyl) ether Bis(ethoxymethyl) ether Bromobenzene 1-Bromobutane 2-Bromobutane Bromochloromethane 2-Bromo-2-chloro-1,1,1-trifluoroethane Bromoethane Bromoethene 1-Bromoheptane 1-Bromohexane Bromomethane 1-Bromo-2-methylpropane 2-Bromo-2-methylpropane 1-Bromonaphthalene 1-Bromooctane 1-Bromopentane 1-Bromopropane 2-Bromopropane 3-Bromopropene 1,2-Butadiene 1,3-Butadiene Butanal
C4H11NO C6H7N C7H8O C8H18N2 C6H14N2 C7H6O C6H6 C6H6S C7H5N C9H10O2 C7H8O C7H9N C13H13N C14H12O2 C4H8Cl2O C6H14O3 C6H5Br C4H9Br C4H9Br CH2BrCl C2HBrClF3 C2H5Br C2H3Br C7H15Br C6H13Br CH3Br C4H9Br C4H9Br C10H7Br C8H17Br C5H11Br C3H7Br C3H7Br C3H5Br C4H6 C4H6 C4H8O
tb °C 127 99.97 –108.09 670 732 1500
ΔvapH(tb) kJ/mol 36.78 40.65 12.57 118 126 190.1
20.1 117.9 139.5 56.05 81.65 202 52.6 77.3 103.5
25.76 23.70 38.2 29.10 29.75 43.98 28.3 32.6 36.3
97.4 165.5 184.17 153.7
40.0 50.6 42.44 38.97
114 178.8 80.09 169.1 191.1 213 205.31 185 306.5 323.5 178.5 140.6 156.06 101.6 91.3 68.0 50.2 38.5 15.8 178.9 155.3 3.5 91.1 73.3 281 200.8 129.8 71.1 59.5 70.1 10.9 –4.41 74.8
42.5 30.72 39.93 45.9 49.4 50.48
ΔvapH(25°C) kJ/mol 43.98
25.47 23.36 30.99 32.94 55.40
55.83 46.90 49.31 39.88 33.83 47.56
60.16 79.6 53.6 45.2 36.17 32.51 30.77 30.0 28.08 27.04 23.4
23.91 31.33 29.23 39.3 35.01 29.84 28.33 30.24 24.02 22.47 31.5
44.69 44.54 36.64 34.41 29.61 28.03 50.60 45.89 22.81 34.82 31.81 55.77 41.28 32.01 30.17 32.73 23.21 20.86
Enthalpy of Vaporization
6-106 Name
Butane 1,2-Butanediol 1,3-Butanediol 1,4-Butanediol 1,4-Butanedithiol Butanenitrile 1-Butanethiol 2-Butanethiol Butanoic acid Butanoic anhydride 1-Butanol 2-Butanol 2-Butanone 1-Butene cis-2-Butene trans-2-Butene 2-Butoxyethanol Butyl acetate
tert-Butyl acetate Butylamine sec-Butylamine tert-Butylamine Butylbenzene sec-Butylbenzene tert-Butylbenzene Butylcyclohexane Butylcyclopentane Butylethylamine Butyl ethyl ether Butyl ethyl sulfide Butyl formate tert-Butyl isobutyl ether Butyl methyl ether sec-Butyl methyl ether Butyl methyl sulfide tert-Butyl methyl sulfide Butyl propyl ether Butyl vinyl ether 1-Butyne 2-Butyne-1,4-diol
γ-Butyrolactone Camphor, (+) Carbon disulfide Carbon monoxide 2-Chloroaniline Chlorobenzene 1-Chlorobutane 2-Chlorobutane Chlorodifluoromethane Chloroethane 2-Chloroethanol Chloroethene 1-Chloroheptane 1-Chlorohexane Chloromethane
Mol. Form. C4H10 C4H10O2 C4H10O2 C4H10O2 C4H10S2 C4H7N C4H10S C4H10S C4H8O2 C8H14O3 C4H10O C4H10O C4H8O C4H8 C4H8 C4H8 C6H14O2 C6H12O2
C6H12O2 C4H11N C4H11N C4H11N C10H14 C10H14 C10H14 C10H20 C9H18 C6H15N C6H14O C6H14S C5H10O2 C8H18O C5H12O C5H12O C5H12S C5H12S C7H16O C6H12O C4H6 C4H6O2 C4H6O2 C10H16O CS2 CO C6H6ClN C6H5Cl C4H9Cl C4H9Cl CHClF2 C2H5Cl C2H5ClO C2H3Cl C7H15Cl C6H13Cl CH3Cl
tb °C –0.5 190.5 207.5 235 195.5 117.6 98.5 85.0 163.75 200 117.73 99.51 79.59 –6.26 3.71 0.88 168.4
ΔvapH(tb) kJ/mol 22.44 52.84 54.31
126.1 95.1 77.00 62.73 44.04 183.31 173.3 169.1 180 156.6 107.5 92.3 144.3 106.1 112.0 70.16 59.1 123.4 98.9 118.1 94 8.08 238 204 207.4 46 –191.5 208.8 131.72 78.4 68.2 –40.7 12.3 128.6 –13.8 160.4 135.1 –24.09
36.28 33.07 31.81 29.92 28.27 38.87
33.68 32.23 30.59 50.0 43.29 40.75 31.30 22.07 23.34 22.72
36.16 33.97 31.63 37.01 36.58 33.11 29.55 28.09 34.47 31.47 33.72 31.58 24.52 52.2 59.5 26.74 6.04 44.4 35.19 30.39 29.17 20.2 24.65 41.4 20.8 35.67 21.40
ΔvapH(25°C) kJ/mol 21.02 71.55 74.46 77.1 55.10 39.33 36.63 33.99 40.45 52.35 49.72 34.79 20.22 22.16 21.40 56.59 43.86 38.03 35.72 32.85 29.64 50.8 48.1 47.6 49.36 45.89 40.15 36.32 44.51 41.11 40.5 32.37 30.23 40.46 35.84 40.22 36.17 23.35 81.5
27.51
40.97 33.51 31.53
47.66 42.83 18.92
Enthalpy of Vaporization Name 1-Chloro-3-methylbutane 1-Chloro-2-methylpropane 2-Chloro-2-methylpropane 1-Chloronaphthalene 1-Chlorooctane Chloropentafluorobenzene Chloropentafluoroethane 1-Chloropentane 2-Chloropentane 1-Chloropropane 2-Chloropropane 3-Chloropropene 2-Chlorotoluene 4-Chlorotoluene Chlorotrifluoromethane Cholesterol o-Cresol m-Cresol p-Cresol Cyanogen Cyclobutane Cyclobutanecarbonitrile Cyclohexane Cyclohexanecarbonitrile Cyclohexanethiol Cyclohexanol Cyclohexanone Cyclohexene 1-Cyclohexenecarbonitrile Cyclohexylamine Cyclohexylbenzene Cyclohexylcyclohexane Cyclopentane Cyclopentanecarbonitrile Cyclopentanethiol Cyclopentanol Cyclopentanone 1-Cyclopentenecarbonitrile Cyclopropane Cyclopropanecarbonitrile Cyclopropylbenzene Cyclopropyl methyl ketone cis-Decahydronaphthalene trans-Decahydronaphthalene Decane 1,10-Decanediol Decanenitrile 1-Decanethiol 1-Decanol 1-Decene Decylbenzene 1,4-Dibromobutane 1,2-Dibromo-1-chloro-1,2,2-trifluoroethane 1,2-Dibromoethane Dibromomethane
6-107 Mol. Form. C5H11Cl C4H9Cl C4H9Cl C10H7Cl C8H17Cl C6ClF5 C2ClF5 C5H11Cl C5H11Cl C3H7Cl C3H7Cl C3H5Cl C7H7Cl C7H7Cl CClF3 C27H46O C7H8O C7H8O C7H8O C2N2 C4H8 C5H7N C6H12 C7H11N C6H12S C6H12O C6H10O C6H10 C7H9N C6H13N C12H16 C12H22 C5H10 C6H9N C5H10S C5H10O C5H8O C6H7N C3H6 C4H5N C9H10 C5H8O C10H18 C10H18 C10H22 C10H22O2 C10H19N C10H22S C10H22O C10H20 C16H26 C4H8Br2 C2Br2ClF3 C2H4Br2 CH2Br2
tb °C 98.9 68.5 50.9 259 183.5 117.96 –39.1 108.4 97.0 46.5 35.7 45.1 159.0 162.4 –81.37 360 dec 191.04 202.27 201.98 –21.1 12.6 149.6 80.73 184 158.8 160.84 155.43 82.98 134 240.1 238 49.3 170 132.1 140.42 130.57 –32.81 135.1 173.6 111.3 195.8 187.3 174.15 243 240.6 231.1 170.5 293 197 93 131.6 97
ΔvapH(tb) kJ/mol 32.02 29.22 27.55 52.1 34.76 19.41 33.15 31.79 27.18 26.30 29.0 37.5 38.7 15.8
ΔvapH(25°C) kJ/mol 36.24 31.67 28.98 52.42 41.07 38.24 36.03 28.35 26.90
148.0 45.19 47.40 47.45 23.33 24.19 36.88 29.97 37.06
30.46 36.14
27.30 35.32 36.35 20.05 35.55 34.07 41.0 40.2 39.58
31.17 34.77 32.92
61.71 19.75 23.51 44.34 33.01 51.92 44.57 62.01 45.06 33.47 53.55 43.67 60.8 57.98 28.52 43.43 41.42 57.05 42.72 44.98 16.93 41.94 50.22 39.41
51.42 120.0 66.84 65.48 81.50 50.43 78.2 53.09 35.04 41.73 36.97
Enthalpy of Vaporization
6-108 Name 1,2-Dibromopropane 1,3-Dibromopropane 1,2-Dibromotetrafluoroethane Dibutylamine Dibutyl ether Di-sec-butyl ether Di-tert-butyl ether Dibutyl phthalate Dibutyl sulfide Di-tert-butyl sulfide o-Dichlorobenzene m-Dichlorobenzene p-Dichlorobenzene 1,2-Dichlorobutane 1,4-Dichlorobutane Dichlorodifluoromethane 1,1-Dichloroethane 1,2-Dichloroethane 1,1-Dichloroethene cis-1,2-Dichloroethene trans-1,2-Dichloroethene 1,1-Dichloro-1-fluoroethane Dichlorofluoromethane 1,2-Dichloro-1,1,2,3,3,3-hexafluoropropane 1,2-Dichlorohexane Dichloromethane 1,2-Dichloropentane 1,5-Dichloropentane 1,3-Dichloropropane 1,2-Dichloro-1,1,2,2-tetrafluoroethane Dicyclopropyl ketone Diethanolamine 1,1-Diethoxyethane 1,2-Diethoxyethane Diethoxymethane Diethylamine Diethyl carbonate Diethyl disulfide Diethylene glycol Diethylene glycol diethyl ether Diethylene glycol dimethyl ether Diethylene glycol monoethyl ether Diethylene glycol monomethyl ether Diethyl ether Diethyl malonate Diethyl oxalate 3,3-Diethylpentane Diethyl sulfide o-Difluorobenzene m-Difluorobenzene p-Difluorobenzene 1,1-Difluoroethane 2,3-Dihydrothiophene 2,5-Dihydrothiophene Diiodomethane
Mol. Form. C3H6Br2 C3H6Br2 C2Br2F4 C8H19N C8H18O C8H18O C8H18O C16H22O4 C8H18S C8H18S C6H4Cl2 C6H4Cl2 C6H4Cl2 C4H8Cl2 C4H8Cl2 CCl2F2 C2H4Cl2 C2H4Cl2
C2H2Cl2 C2H2Cl2 C2H2Cl2 C2H3Cl2F CHCl2F C3Cl2F6 C6H12Cl2 CH2Cl2 C5H10Cl2 C5H10Cl2 C3H6Cl2 C2Cl2F4 C7H10O C4H11NO2 C6H14O2 C6H14O2 C5H12O2 C4H11N C5H10O3 C4H10S2 C4H10O3 C8H18O3 C6H14O3 C6H14O3 C5H12O3 C4H10O C7H12O4 C6H10O4 C9H20 C4H10S C6H4F2 C6H4F2 C6H4F2 C2H4F2 C4H6S C4H6S CH2I2
tb °C 141.9 167.3 47.35 159.6 140.28 121.1 107.23 340 185 149.1 180 173 174 124.1 161 –29.8 57.3
ΔvapH(tb) kJ/mol 35.61
83.5 31.6 60.1 48.7 32.0 8.9 34.1 173 40 148.3 179 120.9 3.5 161 268.8 102.25 121.2 88 55.5 126 154.0 245.8 188 162 196 193 34.5 200 185.7 146.3 92.1 94 82.6 89 –24.05 112.1 122.4 182
31.98 26.14 30.2 28.9 26.06 25.2 26.28
27.03 38.44 36.49 34.06 32.15 79.2 33.26 39.66 38.62 38.79 33.90 20.1 28.85
28.06 36.45 35.18 23.3
ΔvapH(25°C) kJ/mol 41.67 47.45 28.39 49.45 44.97 40.84 37.61 52.96 43.76 50.21 48.58 49.0 39.58 46.36 30.62 35.16 26.48
26.48 26.93 48.16 28.82 43.89 50.71 40.75 53.70
65.2 36.28 36.28 31.33 29.06 37.58 52.3 36.17 47.5 46.6 26.52 54.8 42.0 34.61 31.77 32.21 31.10 31.77 21.56 33.24 34.83 42.5
43.20 43.20 35.65 31.31 43.60 45.18 58.40 44.69
27.10
42.0 35.80 36.18 34.59 35.54 19.08 37.74 39.95
Enthalpy of Vaporization
6-109 Name
Diisobutyl sulfide Diisopentyl ether Diisopropylamine Diisopropyl ether Diisopropyl sulfide Diketene 1,2-Dimethoxyethane N,N-Dimethylacetamide Dimethylamine 2,4-Dimethylaniline 2,5-Dimethylaniline N,N-Dimethylaniline 2,2-Dimethylbutane 2,3-Dimethylbutane 2,3-Dimethyl-2-butanethiol 3,3-Dimethyl-2-butanone 2,3-Dimethyl-1-butene 3,3-Dimethyl-1-butene 2,3-Dimethyl-2-butene 1,1-Dimethylcyclohexane cis-1,2-Dimethylcyclohexane trans-1,2-Dimethylcyclohexane cis-1,3-Dimethylcyclohexane trans-1,3-Dimethylcyclohexane cis-1,4-Dimethylcyclohexane trans-1,4-Dimethylcyclohexane cis-1,3-Dimethylcyclopentane Dimethyl decanedioate Dimethyl disulfide Dimethyl ether N,N-Dimethylformamide Dimethyl glutarate Dimethyl heptanedioate 2,6-Dimethyl-4-heptanol 2,6-Dimethyl-4-heptanone 2,2-Dimethylhexane 2,3-Dimethylhexane 2,4-Dimethylhexane 2,5-Dimethylhexane 3,3-Dimethylhexane 3,4-Dimethylhexane Dimethyl 1,6-hexanedioate 2,5-Dimethyl-2,5-hexanediol cis-2,2-Dimethyl-3-hexene trans-2,2-Dimethyl-3-hexene 2,5-Dimethyl-3-hexyne-2,5-diol 1,1-Dimethylhydrazine Dimethyl malonate Dimethyl nonanedioate 2,4-Dimethyloctane Dimethyl octanedioate Dimethyl oxalate 3,3-Dimethyloxetane 2,2-Dimethylpentane 2,3-Dimethylpentane
Mol. Form. C8H18S C10H22O C6H15N C6H14O C6H14S C4H4O2 C4H10O2 C4H9NO C2H7N C8H11N C8H11N C8H11N C6H14 C6H14 C6H14S C6H12O C6H12 C6H12 C6H12 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C7H14 C12H22O4 C2H6S2 C2H6O C3H7NO C7H12O4 C9H16O4 C9H20O C9H18O C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H14O4 C8H18O2 C8H16 C8H16 C8H14O2 C2H8N2 C5H8O4 C11H20O4 C10H22 C10H18O4 C4H6O4 C5H10O C7H16 C7H16
tb °C 171 172.5 83.9 68.4 120.0 126.1 84.5 165 6.88 214 214 194.15 49.73 57.93 126.1 106.1 55.6 41.2 73.3 119.6 129.8 123.5 120.1 124.5 124.4 119.4 90.8 109.74 –24.8 153 214 174.5 169.4 106.86 115.62 109.5 109.12 111.97 117.73 214 105.5 100.8 205 63.9 181.4 156 268 163.5 80.6 79.2 89.78
ΔvapH(tb) kJ/mol 35.1 30.40 29.10 33.80 36.80 32.42 26.40
26.31 27.38 33.39
29.64 32.51 33.47 32.96 32.91 33.39 33.28 32.56 30.40 33.78 21.51
32.07 33.17 32.51 32.54 32.31 33.24
32.55
36.47
30.85 29.23 30.46
ΔvapH(25°C) kJ/mol 48.71 34.61 32.12 39.60 42.89 36.39 50.24 25.05 61.3 61.7 52.83 27.68 29.12 39.3 37.91 29.18 26.61 32.51 37.92 39.70 38.36 38.26 39.16 39.02 37.90 34.20 86.4 37.86 18.51 46.89 65.7 73.5 65.17 50.92 37.28 38.78 37.76 37.85 37.53 38.97 69.0 85.2 36.86 37.03 82.8 35.0 57.5 82.3 47.13 78.1 54.7 33.94 32.42 34.26
Enthalpy of Vaporization
6-110 Name 2,4-Dimethylpentane 3,3-Dimethylpentane 2,2-Dimethyl-3-pentanone 2,4-Dimethyl-3-pentanone 2,4-Dimethyl-1-pentene 4,4-Dimethyl-1-pentene 2,4-Dimethyl-2-pentene cis-4,4-Dimethyl-2-pentene trans-4,4-Dimethyl-2-pentene 2,2-Dimethylpropanenitrile 2,2-Dimethyl-1-propanethiol 2,3-Dimethylpyridine 2,4-Dimethylpyridine 2,5-Dimethylpyridine 2,6-Dimethylpyridine 3,4-Dimethylpyridine 3,5-Dimethylpyridine Dimethyl succinate Dimethyl sulfide Dimethyl sulfoxide 1,3-Dioxane 1,4-Dioxane Diphenyl ether 1,2-Dipropoxyethane Dipropylamine Dipropyl ether Dipropyl sulfide 1-Docosanol Dodecane 1,12-Dodecanediol Dodecanenitrile 1-Dodecanol 1-Dodecene Dodecylbenzene Eicosane 1-Eicosanol 1,2-Epoxybutane Ethane 1,2-Ethanediamine 1,2-Ethanediol 1,2-Ethanediol, diacetate 1,2-Ethanedithiol Ethanethiol Ethanol Ethanolamine Ethoxybenzene 2-Ethoxyethanol 2-Ethoxyethyl acetate 1-Ethoxy-2-methoxyethane N-Ethylacetamide Ethyl acetate Ethyl acrylate N-Ethylaniline Ethylbenzene Ethyl butanoate
Mol. Form. C7H16 C7H16 C7H14O C7H14O C7H14 C7H14 C7H14 C7H14 C7H14 C5H9N C5H12S C7H9N C7H9N C7H9N C7H9N C7H9N C7H9N C6H10O4
C2H6S C2H6OS C4H8O2 C4H8O2 C12H10O C8H18O2 C6H15N C6H14O C6H14S C22H46O C12H26 C12H26O2 C12H23N C12H26O C12H24 C18H30 C20H42 C20H42O C4H8O C2H6 C2H8N2 C2H6O2 C6H10O4 C2H6S2 C2H6S C2H6O C2H7NO C8H10O C4H10O2 C6H12O3 C5H12O2 C4H9NO C4H8O2 C5H8O2 C8H11N C8H10 C6H12O2
tb °C 80.49 86.06 125.6 125.4 81.6 72.5 83.4 80.4 76.7 106.1 103.7 161.12 158.38 156.98 144.01 179.10 171.84
ΔvapH(tb) kJ/mol 29.55 29.62 36.09 34.64
32.40 39.08 38.53 38.68 37.46 39.99 39.46
196.4 37.33 189 106.1 101.5 258.0 163.2 109.3 90.08 142.9
33.47 31.31 36.60
216.32
44.09
277 260 213.8 328 343 356 63.4 –88.6 117 197.3 190 146.1 35.0 78.29 171 169.81 135 156.4 103.5 205 77.11 99.4 203.0 136.16 121.3
27.0 43.1 34.37 34.16 48.2
58.49 30.3 14.69 37.98 50.5 37.93 26.79 38.56 49.83 39.22 40.76 34.33 31.94 34.7 35.57 35.47
ΔvapH(25°C) kJ/mol 32.88 33.03 42.34 41.51 33.03 31.13 34.19 32.56 32.81 37.35 36.4 47.82 47.49 47.04 45.34 50.50 49.33 61.0 27.65 39.09 38.60 50.62 40.04 35.69 44.21 135.9 61.52 135 76.12 90.8 60.78 86.6 101.81 125.9 5.16 44.98 63.9 61.44 44.68 27.30 42.32 51.04 48.21 52.61 39.83 64.89 35.60 58.3 42.24 42.68
Enthalpy of Vaporization
6-111 Name
2-Ethyl-1-butanol 2-Ethyl-1-butene Ethyl chloroacetate Ethylcyclobutane Ethylcyclohexane Ethylcyclopentane Ethyl dichloroacetate Ethyl 2,2-dimethylpropanoate Ethylene N-Ethylformamide Ethyl formate 3-Ethylhexane Ethyl hexanoate 2-Ethylhexanoic acid 2-Ethyl-1-hexanol 2-Ethylhexyl acetate 2-Ethylhexylamine Ethylisopropylamine Ethyl isopropyl ether Ethyl isopropyl sulfide Ethyl 3-methylbutanoate 2-Ethyl-3-methyl-1-butene 1-Ethyl-1-methylcyclopentane 3-Ethyl-2-methylpentane 3-Ethyl-3-methylpentane 3-Ethyl-2-methyl-1-pentene Ethyl 2-methylpropanoate Ethyl methyl sulfide 3-Ethylpentane Ethyl pentanoate 3-Ethyl-3-pentanol Ethyl pentyl ether Ethyl propanoate Ethyl propyl ether Ethyl propyl sulfide Ethyl trichloroacetate Ethyl vinyl ether Fluorobenzene 1-Fluorooctane 2-Fluorotoluene 4-Fluorotoluene Formamide Formic acid Furan Furfural Furfuryl alcohol Glycerol Glycerol triacetate Heptadecane 1-Heptadecanol 6-Heptadecanol 7-Heptadecanol 9-Heptadecanol Heptane 1,7-Heptanediol
Mol. Form. C6H14O C6H12 C4H7ClO2 C6H12 C8H16 C7H14 C4H6Cl2O2 C7H14O2 C2H4 C3H7NO C3H6O2 C8H18 C8H16O2 C8H16O2 C8H18O C10H20O2 C8H19N C5H13N C5H12O C5H12S C7H14O2 C7H14 C8H16 C8H18 C8H18 C8H16 C6H12O2 C3H8S C7H16 C7H14O2 C7H16O C7H16O C5H10O2 C5H12O C5H12S C4H5Cl3O2 C4H8O C6H5F C8H17F C7H7F C7H7F CH3NO CH2O2 C4H4O C5H4O2 C5H6O2 C3H8O3 C9H14O6 C17H36 C17H36O C17H36O C17H36O C17H36O C7H16 C7H16O2
tb °C 147 64.7 144.3 70.8 131.9 103.5 155 118.4 –103.77 198 54.4 118.6 167 228 184.6 199 169.2
ΔvapH(tb) kJ/mol 43.2
69.6 54.1 107.5 135.0 89 121.6 115.66 118.27 109.5 110.1 66.7 93.5 146.1 142 117.6 99.1 63.21 118.6 167.5 35.5 84.73 142.3 115 116.6 220 101 31.5 161.7 171 290 259 302.0 324
29.94 28.21 32.74 37.0
98.4 262
31.77
40.43 28.67 34.04 31.96 34.51 13.53 29.91 33.59
54.2 43.5 40.0
33.20 32.93 32.78 33.67 29.53 31.12 36.96 34.41 33.88 28.94 34.24 26.2 31.19 40.43 35.4 34.08 22.69 27.10 43.2 53.6 61.0 53.58
ΔvapH(25°C) kJ/mol 31.13 49.47 31.24 40.56 36.40 50.60 41.25 58.44 31.96 39.64 51.72 75.60 68.51
33.13 30.08 37.78 34.35 38.85 38.52 37.99 37.27 39.83 31.85 35.22 47.01 57.34 41.01 39.21 31.43 39.97 50.97 34.58 49.65 39.42 60.15 20.10 27.45
85.74 86.47 112.5 108.6 108.2 108.5 36.57 97.9
Enthalpy of Vaporization
6-112 Name
1-Heptanol 3-Heptanol 2-Heptanone 1-Heptene cis-2-Heptene trans-2-Heptene cis-3-Heptene trans-3-Heptene Heptylamine Heptylbenzene 1-Hexacosanol Hexadecane 1,16-Hexadecanediol 1-Hexadecanol 1-Hexadecene Hexadecylbenzene Hexafluoroacetylacetone Hexafluorobenzene
Hexafluoroethane Hexane 1,6-Hexanediol Hexanenitrile 1-Hexanol 2-Hexanol 2-Hexanone 3-Hexanone 1-Hexene cis-2-Hexene trans-2-Hexene cis-3-Hexene trans-3-Hexene Hexylamine Hexylbenzene Hexyl methyl ether Indan Iodobenzene 1-Iodobutane 2-Iodobutane Iodoethane 1-Iodohexane Iodomethane 1-Iodo-2-methylpropane 2-Iodo-2-methylpropane 1-Iodopentane 1-Iodopropane 2-Iodopropane Isobutane Isobutyl acetate Isobutylamine Isobutylbenzene Isobutyl formate Isobutyl isobutanoate Isobutyl methyl ether Isopentane Isopentyl acetate
Mol. Form. C7H16O C7H16O C7H14O C7H14 C7H14 C7H14 C7H14 C7H14 C7H17N C13H20 C26H54O C16H34 C16H34O2 C16H34O C16H32 C22H38 C5H2F6O2 C6F6 C2F6 C6H14 C6H14O2 C6H11N C6H14O C6H14O C6H12O C6H12O C6H12 C6H12 C6H12 C6H12 C6H12 C6H15N C12H18 C7H16O C9H10 C6H5I C4H9I C4H9I C2H5I C6H13I CH3I C4H9I C4H9I C5H11I C3H7I C3H7I C4H10 C6H12O2 C4H11N C10H14 C5H10O2 C8H16O2 C5H12O C5H12 C7H14O2
tb °C 176.45 157 151.05 93.64 98.4 98 95.8 95.7 156 240
ΔvapH(tb) kJ/mol
286.86
51.84
312 284.9 385 54.15
27.05
80.32 –78.1 68.73 208 163.65 157.6 140 127.6 123.5 63.48 68.8 67.9 66.4 67.1 132.8 226.1 126.1 177.97 188.4 130.5 120.1 72.3 181.3 42.43 121.1 100.1 157.0 102.5 89.5 –11.73 116.5 67.75 172.79 98.2 148.6 58.6 27.88 142.5
ΔvapH(25°C) kJ/mol 66.81
42.5
31.66 16.15 28.85
44.50 41.01 36.35 35.36
36.54 34.93 39.63 39.5 34.66 33.27 29.44 27.34 33.54 31.43 32.08 30.68 21.30 35.9 30.61 33.6 38.2 28.02 24.69 37.5
47.24 35.49 36.26 36.27 35.81 35.84 49.96 64.2 153.7 81.35 163 107.7 80.25 104.8 30.58 35.71 31.56 90.2 47.91 61.61 58.46 43.14 42.47 30.61 32.19 31.60 31.23 31.55 45.10 60.4 42.07 48.79 40.63 38.46 31.93 49.75 27.97 38.83 35.41 45.27 36.25 34.06 19.23 33.85 48.0
30.13 24.85
Enthalpy of Vaporization Name Isopentyl isopentanoate Isopropyl acetate Isopropylamine Isopropylbenzene Isopropylcyclohexane Isopropylcyclopentane Isopropylmethylamine 1-Isopropyl-4-methylbenzene Isopropyl methyl ether Isopropyl methyl sulfide Isopropylpropylamine Isopropyl propyl sulfide Isoquinoline Mesityl oxide Methane Methanol 2-Methoxyethanol 2-Methoxyethyl acetate Methyl acetate Methyl acrylate 2-Methylacrylonitrile Methylamine 2-Methylaniline 3-Methylaniline 4-Methylaniline Methyl benzoate 1-Methylbicyclo[3,1,0]hexane 3-Methylbutanenitrile 2-Methyl-1-butanethiol 2-Methyl-2-butanethiol 3-Methyl-2-butanethiol Methyl butanoate 2-Methylbutanoic acid 2-Methyl-1-butanol 3-Methyl-1-butanol 2-Methyl-2-butanol 3-Methyl-2-butanol 3-Methyl-2-butanone 2-Methyl-1-butene 3-Methyl-1-butene 2-Methyl-2-butene (1-Methylbutyl)benzene Methyl tert-butyl ether Methyl chloroacetate Methyl cyanoacetate Methyl cyclobutanecarboxylate Methylcyclohexane 1-Methylcyclohexanol cis-2-Methylcyclohexanol trans-2-Methylcyclohexanol Methylcyclopentane Methyl cyclopropanecarboxylate 2-Methyldecane 4-Methyldecane Methyl dichloroacetate
6-113 Mol. Form. C10H20O2 C5H10O2 C3H9N C9H12 C9H18 C8H16 C4H11N C10H14 C4H10O C4H10S C6H15N C6H14S C9H7N C6H10O CH4 CH4O C3H8O2 C5H10O3 C3H6O2 C4H6O2 C4H5N CH5N C7H9N C7H9N C7H9N C8H8O2 C7H12 C5H9N C5H12S C5H12S C5H12S C5H10O2 C5H10O2 C5H12O C5H12O C5H12O C5H12O C5H10O C5H10 C5H10 C5H10 C11H16 C5H12O C3H5ClO2 C4H5NO2 C6H10O2 C7H14 C7H14O C7H14O C7H14O C6H12 C5H8O2 C11H24 C11H24 C3H4Cl2O2
tb °C 190.4 88.7 31.76 152.41 154.8 126.5 50.4 177.1 30.77 84.8 96.9 132.1 243.22 130 –161.48 64.6 124.1
ΔvapH(tb) kJ/mol 45.9 32.93 27.83
143 56.87 80.7 90.3 –6.32 200.3 203.3 200.4 199 93.1 127.5 119.1 99.1 109.8 102.8 177 127.5 131.1 102.4 112.9 94.33 31.2 20.1 38.56 199 55.0 129.5 200.5 135.5 100.93 155 165 167.5 71.8 114.9 189.3 187 142.9
43.9 30.32 33.1 31.8 25.60 44.6 44.9 44.3
33.56 28.71 38.2 26.05 30.71 32.14 35.11 49.0 36.1 8.19 35.21 37.54
31.07 35.10 33.79 31.37 33.79
44.07 39.04 32.35 25.50 26.31 27.94 39.23 48.2 37.13 31.27 79.0 48.5 53.0 29.08 35.25 40.25 40.70 39.28
ΔvapH(25°C) kJ/mol 37.20 28.36 45.13 44.02 39.44 30.69 26.41 34.15 37.23 41.78 60.26
37.43 45.17 32.29
23.37
55.57 34.77 41.64 39.45 35.67 37.5 39.28 46.91 55.16 55.61 50.10 53.0 36.78 25.92 23.77 27.06 53.0 29.82 46.73 44.72 35.36
31.64 41.27 54.28 53.76 47.72
Enthalpy of Vaporization
6-114 Name Methyl 2,2-dimethylpropanoate Methyl dodecanoate N-Methylformamide Methyl formate 2-Methylheptane 3-Methylheptane 4-Methylheptane Methyl heptanoate 2-Methyl-2-heptanol 2-Methylhexane 3-Methylhexane Methyl hexanoate 2-Methyl-2-hexanol 5-Methyl-3-hexanol cis-3-Methyl-3-hexene trans-3-Methyl-3-hexene Methylhydrazine Methyl isobutanoate Methyl methacrylate 1-Methylnaphthalene 2-Methylnonane 3-Methylnonane 5-Methylnonane Methyl octanoate Methyloxirane 2-Methylpentane 3-Methylpentane 2-Methyl-2,4-pentanediol Methyl pentanoate 2-Methyl-1-pentanol 4-Methyl-1-pentanol 2-Methyl-2-pentanol 4-Methyl-2-pentanol 3-Methyl-2-pentanone 4-Methyl-2-pentanone 2-Methyl-3-pentanone 2-Methyl-1-pentene 3-Methyl-1-pentene 4-Methyl-1-pentene 2-Methyl-2-pentene 3-Methyl-cis-2-pentene 3-Methyl-trans-2-pentene 4-Methyl-cis-2-pentene 4-Methyl-trans-2-pentene Methyl pentyl ether Methyl pentyl sulfide 2-Methylpropanenitrile 2-Methyl-1-propanethiol 2-Methyl-2-propanethiol Methyl propanoate 2-Methylpropanoic acid 2-Methyl-1-propanol 2-Methyl-2-propanol Methyl propyl ether Methyl propyl sulfide
Mol. Form. C6H12O2 C13H26O2 C2H5NO C2H4O2 C8H18 C8H18 C8H18 C8H16O2 C8H18O C7H16 C7H16 C7H14O2 C7H16O C7H16O C7H14 C7H14 CH6N2 C5H10O2
C5H8O2 C11H10 C10H22 C10H22 C10H22 C9H18O2 C3H6O C6H14 C6H14 C6H14O2 C6H12O2 C6H14O C6H14O C6H14O C6H14O C6H12O C6H12O C6H12O C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H14O C6H14S C4H7N C4H10S C4H10S C4H8O2 C4H8O2 C4H10O C4H10O C4H10O C4H10S
tb °C 101.1 267 199.51 31.7 117.66 118.9 117.72 174 156 90.04 92 149.5 143 147 95.4 93.5 87.5
ΔvapH(tb) kJ/mol 33.42
92.5 100.5 244.7 167.1 167.9 165.1 192.9 35 60.26 63.27 197.1 127.4 149 151.9 121.1 131.6 117.5 116.5 113.5 62.1 54.2 53.9 67.3 67.7 70.4 56.3 58.6 99 145.1 103.9 88.5 64.2 79.8 154.45 107.89 82.4 39.1 95.6
32.61 36.0 45.5 38.23 38.26 38.14
27.92 33.26 33.66 33.35
30.62 30.9 38.55
36.12
27.35 27.79 28.06 57.3 35.36 50.2 44.46 39.59 44.2 34.16 34.49 33.84
32.02 37.41 32.39 31.01 28.45 32.24 41.82 39.07 26.75 32.08
ΔvapH(25°C) kJ/mol 38.76 77.17 56.19 28.35 39.67 39.83 39.69 51.62 62.87 34.87 48.04 58.57 59.82 36.31 35.70 40.37 37.32
49.63 49.71 49.34 56.41 27.89 29.89 30.28 43.10 60.47 54.77 40.53 40.61 39.79 30.48 28.62 28.71 31.60 32.09 31.35 29.48 29.97 36.85 45.24 37.13 34.63 30.78 35.85 35.30 50.82 46.69 27.60 36.24
Enthalpy of Vaporization
6-115 Name
2-Methylpyridine 3-Methylpyridine 4-Methylpyridine 2-Methylquinoline 4-Methylquinoline 6-Methylquinoline 8-Methylquinoline Methyl salicylate 4-Methylthiazole 2-Methylthiophene 3-Methylthiophene Methyl trichloroacetate Molybdenum carbonyl Morpholine Naphthalene Neopentane Nitrobenzene Nitroethane
Nitromethane 1-Nitropropane 2-Nitropropane Nonadecane Nonane 1,9-Nonanediol 1-Nonanol 2-Nonanone 5-Nonanone Nonylbenzene Octadecane 1-Octadecanol cis-9-Octadecenoic acid Octane 1,8-Octanediol Octanenitrile Octanoic acid 1-Octanol 2-Octanol 1-Octene Octylbenzene 1-Octyne 2-Octyne 3-Octyne 4-Octyne Oxetane 2-Oxetanone Oxirane Pentachloroethane Pentadecane 1,15-Pentadecanediol 1-Pentadecanol Pentadecylbenzene Pentafluorobenzene 2,3,4,5,6-Pentafluorotoluene 2,2,4,6,6-Pentamethylheptane Pentane
Mol. Form. C6H7N C6H7N C6H7N C10H9N C10H9N C10H9N C10H9N C8H8O3 C4H5NS C5H6S C5H6S C3H3Cl3O2 C6MoO6 C4H9NO C10H8 C5H12 C6H5NO2 C2H5NO2 CH3NO2 C3H7NO2 C3H7NO2 C19H40 C9H20 C9H20O2 C9H20O C9H18O C9H18O C15H24 C18H38 C18H38O C18H34O2 C8H18 C8H18O2 C8H15N C8H16O2 C8H18O C8H18O C8H16 C14H22 C8H14 C8H14 C8H14 C8H14 C3H6O C3H4O2 C2H4O C2HCl5 C15H32 C15H32O2 C15H32O C21H36 C6HF5 C7H3F5 C12H26 C5H12
tb °C 129.38 144.14 145.36 246.5 262 258.6 247.5 222.9 133.3 112.6 115.5 153.8 701 128 217.9 9.48 210.8
ΔvapH(tb) kJ/mol 36.17 37.35 37.51
114.0 101.19 131.1 120.2 329.9 150.82
38.0 33.99 38.5 36.8 56.93 37.18
213.37 195.3 188.45 280.5 316.3 335 360 125.67 205.25 239 195.16 179.3 121.29 264 126.3 137.6 133.1 131.6 47.6 162 10.6 162.0 270.6 300 373 85.74 117.5 177.8 36.06
46.7 37.58 33.90 34.24 72.51 37.1 43.2 22.74
55.23 67.4 34.41
ΔvapH(25°C) kJ/mol 42.48 44.44 44.56 66.1 67.6 67.7 65.7 43.85 38.87 39.43 48.33
21.84 55.01 38.27
96.4 46.55 112.5 76.86 56.44 53.30 74.1 91.44 116.8 41.49 104.9 56.80
58.5 70.98 44.4 34.07 35.83 37.26 36.94 36.0 28.67 25.54 36.9 50.08
32.15 34.75 25.79
40.34 69.1 42.30 44.49 43.92 42.73 29.85 47.03 24.75 76.77 139 103.5 100.3 36.27 41.12 48.97 26.43
Enthalpy of Vaporization
6-116 Name
1,5-Pentanediol 2,4-Pentanedione Pentanenitrile 1-Pentanethiol Pentanoic acid 1-Pentanol 2-Pentanol 3-Pentanol 2-Pentanone 3-Pentanone 1-Pentene cis-2-Pentene trans-2-Pentene trans-3-Pentenenitrile Pentyl acetate Pentylamine Pentylbenzene Pentylcyclohexane Perfluorobutane Perfluorocyclobutane Perfluorodecalin Perfluorohexane Perfluorononane Perfluorooctane Perfluorotoluene Phenanthrene Phenol Piperidine Propanal Propane 1,3-Propanediamine 1,2-Propanediol 1,3-Propanediol 1,3-Propanedithiol Propanenitrile 1-Propanethiol 2-Propanethiol Propanoic acid Propanoic anhydride 1-Propanol 2-Propanol Propene 2-Propoxyethanol Propyl acetate Propylamine Propylbenzene Propylcyclohexane Propylcyclopentane Propyl formate Propyl propanoate Pyridazine Pyridine Pyrimidine Pyrrole Pyrrolidine
Mol. Form. C5H12O2 C5H8O2 C5H9N C5H12S C5H10O2 C5H12O C5H12O C5H12O C5H10O C5H10O C5H10 C5H10 C5H10 C5H7N C7H14O2 C5H13N C11H16 C11H22 C4F10 C4F8 C10F18 C6F14 C9F20 C8F18 C7F8 C14H10 C6H6O C5H11N C3H6O C3H8 C3H10N2 C3H8O2 C3H8O2 C3H8S2 C3H5N C3H8S C3H8S C3H6O2 C6H10O3 C3H8O C3H8O C3H6 C5H12O2 C5H10O2 C3H9N C9H12 C9H18 C8H16 C4H8O2 C6H12O2 C4H4N2 C5H5N C4H4N2 C4H5N C4H9N
tb °C 239 138 141.3 126.6 186.1 137.98 119.3 116.25 102.26 101.7 29.96 36.93 36.34 144 149.2 104.3 205.4 203.7 -1.9 -5.91 142.02 57.14 117.61 105.9 103.55 340 181.87 106.22 48 -42.1 139.8 187.6 214.4 172.9 97.14 67.8 52.6 141.15 170 97.2 82.3 -47.69 149.8 101.3 47.22 159.24 156 131 80.9 122.5 208 115.23 123.8 129.79 86.56
ΔvapH(tb) kJ/mol 60.7 34.30 36.09 34.88 44.1 44.36 41.40 33.44 33.45 25.20
37.09 38.42 34.01
ΔvapH(25°C) kJ/mol 83.0 41.77 43.60 41.24 57.02 54.21 54.0 38.40 38.52 25.47 26.86 26.76 44.77 48.56 40.08 55.1 53.88
22.9 23.2
33.38
45.69 28.31 19.04 40.85 52.4 57.9 31.81 29.54 27.91 41.7 41.44 39.85 18.42 41.40 33.92 29.55
34.70 33.61 35.54 35.09 43.09 38.75 33.01
41.54 32.47 45.27 41.13 40.52 75.50 57.82 39.29 29.62 14.79 50.16 69.8 49.66 36.03 31.89 29.45 32.14 47.45 45.39 14.24 52.12 39.72 31.27 46.22 45.08 41.08 37.53 43.45 53.47 40.21 49.79 45.09 37.52
Enthalpy of Vaporization
6-117 Name
Quinoline Salicylaldehyde Spiro[2.2]pentane Styrene Succinonitrile 1,1,2,2-Tetrabromoethane 1,1,2,2-Tetrachloroethane Tetrachloroethene Tetrachloromethane Tetradecane 1,14-Tetradecanediol Tetradecanenitrile 1-Tetradecanol Tetradecylbenzene Tetrahydrofuran Tetrahydrofurfuryl alcohol 1,2,3,4-Tetrahydronaphthalene Tetrahydropyran Tetrahydrothiophene 2,2,3,3-Tetramethylbutane 2,2,4,4-Tetramethylpentane Tetranitromethane Thiacyclohexane Thietane Thiophene Toluene Triacetamide Tribromomethane Tributylamine Tributyl borate 1,1,1-Trichloroethane 1,1,2-Trichloroethane Trichloroethene Trichlorofluoromethane Trichloromethane 1,2,3-Trichloropropane 1,1,1-Trichloro-2,2,2-trifluoroethane 1,1,2-Trichloro-1,2,2-trifluoroethane Tridecane 1,13-Tridecanediol 1-Tridecanol Tridecylbenzene Triethylamine Triethylene glycol Trifluoroacetic acid 1,1,1-Trifluoroethane (Trifluoromethyl)benzene Trimethylamine 1,2,3-Trimethylbenzene 1,2,4-Trimethylbenzene 1,3,5-Trimethylbenzene 2,2,3-Trimethylbutane 2,3,3-Trimethyl-1-butene 2,2,5-Trimethylhexane 2,3,5-Trimethylhexane
Mol. Form. C9H7N C7H6O2 C5H8 C8H8 C4H4N2 C2H2Br4 C2H2Cl4 C2Cl4 CCl4 C14H30 C14H30O2 C14H27N C14H30O C20H34 C4H8O C5H10O2 C10H12 C5H10O
C4H8S C8H18 C9H20 CN4O8 C5H10S C3H6S C4H4S C7H8 C6H9NO3 CHBr3 C12H27N C12H27BO3 C2H3Cl3 C2H3Cl3 C2HCl3 CCl3F CHCl3 C3H5Cl3 C2Cl3F3 C2Cl3F3 C13H28 C13H28O2 C13H28O C19H32 C6H15N C6H14O4 C2HF3O2 C2H3F3 C7H5F3 C3H9N C9H12 C9H12 C9H12 C7H16 C7H14 C9H20 C9H20
tb °C 237.16 197 39 145 266 243.5 145.2 121.3 76.8 253.58
287 359 65 178 207.6
ΔvapH(tb) kJ/mol 49.7 38.2 26.76 38.7 48.5 48.7 37.64 34.68 29.82 48.16
29.81 45.2 43.9
88 121.1 106.45 122.29 126.1 141.8 95.0 84.0 110.63
32.51 40.74 35.96 32.32 31.48 33.18
149.1 216.5 234 74.09 113.8 87.21 23.7 61.17 157 45.5 47.7 235.47
39.66 46.9 56.1 29.86 34.82 31.40 25.1 29.24 37.1 26.85 27.04 46.20
274 346 89 285 73 -47.25 102.1 2.87 176.12 169.38 164.74 80.86 77.9 124.09 131.4
31.17 34.66
31.01 71.4 33.3 18.99 32.63 22.94
28.90 33.65 34.43
ΔvapH(25°C) kJ/mol 59.30 27.49
45.71 39.68 32.43 71.73 149.7 85.29 98.9 95.8 31.99
34.58 39.43 42.90 38.49 49.93 42.58 35.97 34.70 38.01 60.41 46.05
32.50 40.24 34.54 31.28 28.08 28.40 66.68 133 94.7 91.8 34.84
37.60 21.66 49.05 47.93 47.50 32.05 32.09 40.16 41.41
Enthalpy of Vaporization
6-118 Name 3,5,5-Trimethyl-1-hexanol 2,4,7-Trimethyloctane 2,2,3-Trimethylpentane 2,2,4-Trimethylpentane 2,3,3-Trimethylpentane 2,3,4-Trimethylpentane 2,2,4-Trimethyl-3-pentanone 2,4,4-Trimethyl-1-pentene 2,4,4-Trimethyl-2-pentene 2,3,6-Trimethylpyridine 2,4,6-Trimethylpyridine Tris(perfluorobutyl)amine Undecane 1,11-Undecanediol Undecanenitrile 1-Undecanol Undecylbenzene Vinyl acetate o-Xylene m-Xylene p-Xylene 2,4-Xylenol 2,5-Xylenol 2,6-Xylenol 3,4-Xylenol 3,5-Xylenol
Mol. Form. C9H20O C11H24 C8H18 C8H18 C8H18 C8H18 C8H16O C8H16 C8H16 C8H11N C8H11N C12F27N C11H24 C11H24O2 C11H21N C11H24O C17H28 C4H6O2 C8H10 C8H10 C8H10 C8H10O C8H10O C8H10O C8H10O C8H10O
tb °C 194 168.1 110 99.22 114.8 113.5 135.1 101.4 104.9 171.6 170.6 178 195.9
ΔvapH(tb) kJ/mol 38.22 31.94 30.79 32.12 32.36 35.64
39.95 39.87 46.4 41.91
253 245 316 72.8 144.5 139.07 138.23 210.98 211.1 201.07 227 221.74
34.6 36.24 35.66 35.67
ΔvapH(25°C) kJ/mol 67.86 49.91 36.91 35.14 37.27 37.75 43.30 35.59 37.23 50.61 50.33 56.58 132 71.14 85.8 82.4 43.43 42.65 42.40 64.96
46.9 75.31 85.03 82.01
Enthalpy of Fusion This table lists the molar enthalpy (heat) of fusion, ΔfusH, of over 1100 inorganic and organic compounds. All values refer to the enthalpy change at equilibrium between the liquid phase and the most stable solid phase at the phase transition temperature. Most values of ΔfusH are given at the normal melting point tm. However, a “t” following the entry in the melting point column indicate a triple-point temperature, where the solid, liquid, and gas phases are in equilibrium. Temperatures are given on the ITS-90 scale. A * following an entry indicates that the value includes the enthalpy of transition between crystalline phases whose transformation occurs within 1°C of the melting point. Substances are listed by name, either an IUPAC systematic name or, in the case of drugs and other complex compounds, a common synonym. Inorganic compounds, including metal salts of organic acids, are listed first, followed by organic compounds. The molecular formula in the Hill convention is included.
References 1. Chase, M. W., Davies, C. A., Downey, J. R., Frurip, D. J., McDonald, R. A., and Syverud, A. N., JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data, Vol. 14, Suppl. 1, 1985. 2. Chase, M. W., NIST-JANAF Thermochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph No. 9, 1998. 3. Gurvich, L. V., Veyts, I. V., and Alcock, C. B., Thermodynamic Properties of Individual Substances, Fourth Edition; Vol. 2, Hemisphere Publishing Corp., New York, 1991; Vol. 3, CRC Press, Boca Raton, FL, 1994. Molecular Name formula tm/°C Inorganic compounds (including salts of organic acids) Actinium Ac 1050 Aluminum Al 660.32 97.5 Aluminum bromide AlBr3 192.6 Aluminum chloride AlCl3 2250 t Aluminum fluoride AlF3 188.28 Aluminum iodide AlI3 2054 Al2O3 Aluminum oxide (α) Aluminum sulfide Al2S3 1100 Americium Am 1176 -77.73 Ammonia H3N 520.1 Ammonium chloride ClH4N 238 Ammonium fluoride FH4N 551 Ammonium iodide H4IN 169.7 Ammonium nitrate H4N2O3 Antimony (gray) Sb 630.628 97 Antimony(III) bromide Br3Sb 73.4 Antimony(III) chloride Cl3Sb 287 Antimony(III) fluoride F3Sb 171 Antimony(III) iodide I3Sb 655 Antimony(III) oxide O3Sb2 (valentinite) 550 Antimony(III) sulfide S3Sb2 Argon Ar -189.36 Arsenic (gray) As 817 31.1 Arsenic(III) bromide AsBr3 -16 Arsenic(III) chloride AsCl3 -5.9 Arsenic(III) fluoride AsF3 141 Arsenic(III) iodide AsI3
ΔfusH/kJ mol-1 12.0 10.71 11.25 35.35 0.56 15.90 111.1 66 14.39 5.66 10.6 12.6 21 5.86 19.79 14.6 12.97 22.8 22.8 54 47.9 1.18 24.44 11.7 10.1 10.4 21.8
4. Dinsdale, A. T., “SGTE Data for Pure Elements”, CALPHAD, 15, 317425, 1991. 5. Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, New Series, IV/8A, “Enthalpies of Fusion and Transition of Organic Compounds”, Springer-Verlag, Heidelberg, 1995. 6. Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, New Series, IV/19A, “Thermodynamic Properties of Inorganic Materials compiled by SGTE”, SpringerVerlag, Heidelberg; Part 1, 1999; Part 2; 1999; Part 3, 2000; Part 4, 2001. 7. Janz, G. J., et al., Physical Properties Data Compilations Relevant to Energy Storage. II. Molten Salts, Nat. Stand. Ref. Data Sys.- Nat. Bur. Standards (U.S.), No. 61, Part 2, 1979. 8. Dirand, M., Bouroukba, M., Chevallier, V., Petitjean, D., Behar, E., and Ruffier-Meray, V., “Normal Alkanes, Multialkane Synthetic Model Mixtures, and Real Petroleum Waxes: Crystallographic Structures, Thermodynamic Properties, and Crystallization”, J. Chem. Eng. Data, 47, 115-143, 2002. 9. Linstrom, P. J., and Mallard, W. G., Editors, NIST Chemistry WebBook, NIST Standard Reference Database No. 69, June 2005, National Institute of Standards and Technology, Gaithersburg, MD 20899, <http://webbook.nist.gov>. 10. Thermodynamic Research Center, National Institute of Standards and Technology, TRC Thermodynamic Tables, <http://trc.nist.gov>. 11. Sangster, J., “Phase Diagrams and Thermodynamic Properties of Binary Systems of Drugs”, J. Phys. Chem. Ref. Data 28, 889, 1999.
Name Arsenic(III) oxide (claudetite) Arsenic(V) oxide Arsenic(III) selenide Arsenic(III) sulfide Arsenic sulfide Arsenic(III) telluride Barium Barium bromide Barium carbonate
Molecular formula As2O3 As2O5 As2Se3 As2S3 As4S4 As2Te3 Ba BaBr2 CBaO3
Barium chloride Barium fluoride Barium hydride Barium hydroxide Barium iodide Barium oxide Barium sulfate Barium sulfide Beryllium Beryllium bromide Beryllium carbide Beryllium chloride Beryllium fluoride Beryllium iodide Beryllium nitride Beryllium oxide Beryllium sulfate Bismuth Bismuth oxide
BaCl2 BaF2 BaH2 BaH2O2 BaI2 BaO BaO4S BaS Be BeBr2 CBe2 BeCl2 BeF2 BeI2 Be3N2 BeO BeO4S Bi Bi2O3
ΔfusH/kJ tm/°C mol-1 314 18 730 60 377 40.8 312 28.7 307 25.4 375 46.0 727 7.12 857 32.2 1555 40 (high pres.) 961 15.85 1368 23.36 1200 25 408 16 711 26.5 1973 46 1580 40 2227 63 1287 7.895 508 18 2127 75.3 415 8.66 552 4.77 480 20.92 2200 111 2578 86 1127 6 11.106 271.406 825 14.7
6-110
487_S06.indb 110
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Enthalpy of Fusion Name Bismuth sulfide Bismuth tribromide Bismuth trichloride Bismuth trifluoride Bismuth triiodide Boric acid Boron Boron nitride Boron oxide Boron sulfide Boron trichloride Boron trifluoride Bromine Bromine pentafluoride Cadmium Cadmium bromide Cadmium chloride Cadmium fluoride Cadmium iodide Cadmium nitrate Calcium Calcium bromide Calcium carbonate (calcite) Calcium chloride Calcium fluoride Calcium hydride Calcium iodide Calcium nitrate Calcium oxide Calcium sulfate Calcium sulfide Carbon (graphite) Cerium Cerium(III) bromide Cerium(III) chloride Cerium(III) fluoride Cerium(III) iodide Cerium(III) oxide Cerium(IV) oxide Cesium Cesium carbonate Cesium chloride Cesium chromate Cesium fluoride Cesium hydride Cesium hydroxide Cesium iodide Cesium metaborate Cesium molybdate Cesium nitrate Cesium nitrite Cesium oxide Cesium peroxide Cesium sulfate Chlorine Chromium Chromium(II) bromide Chromium(III) bromide Chromium(II) chloride Chromium(III) chloride
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6-111 Molecular formula Bi2S3 BiBr3 BiCl3 BiF3 BiI3 BH3O3 B BN B2O3 B2S3 BCl3 BF3 Br2 BrF5 Cd Br2Cd CdCl2 CdF2 CdI2 CdN2O6 Ca Br2Ca CCaO3 CaCl2 CaF2 CaH2 CaI2 CaN2O6 CaO CaO4S CaS C Ce Br3Ce CeCl3 CeF3 CeI3 Ce2O3 CeO2 Cs CCs2O3 ClCs CrCs2O4 CsF CsH CsHO CsI BCsO2 Cs2MoO4 CsNO3 CsNO2 Cs2O Cs2O2 Cs2O4S Cl2 Cr Br2Cr Br3Cr Cl2Cr Cl3Cr
tm/°C 777 219 234 649 408.6 170.9 2075 2967 450 563 -107.3 -126.8 -7.2 -60.5 321.069 568 568 1075 388 360 842 742 1330 775 1418 1000 783 561 2613 1460 2524 4489 799 732 807 1430 760 2250 2480 28.5 793 646 963 703 528 342.3 632 732 956.3 409 406 495 594 1005 -101.5 1907 842 812 824 827
ΔfusH/kJ mol-1 78.2 21.7 23.6 21.6 39.1 22.3 50.2 81 24.56 48.12 2.10 4.20 10.57 5.67 6.21 33.35 48.58 22.6 15.3 18.3 8.54 29.1 36 28.05 30 6.7 41.8 23.4 80 28 70 117.4 5.460 51.9 53.1 55.6 51.0 120 80 2.09 31 20.4 35.3 21.7 15 7.78 25.7 27 31.8 13.8 10.9 20 22 35.7 6.40 21.00 45 60 45.0 60
Name Chromium(II) fluoride Chromium(III) fluoride Chromium(II) iodide Chromium(III) iodide Chromium(III) oxide Chromium(VI) oxide Chromium(II) sulfide Cobalt Cobalt(II) bromide Cobalt(II) chloride Cobalt(II) fluoride Cobalt(II) iodide Cobalt(II) selenite Cobalt(II) sulfide Copper Copper(I) bromide Copper(I) chloride Copper(II) chloride Copper(II) fluoride Copper(I) iodide Copper(I) oxide Copper(II) oxide Copper(I) sulfide Curium Decaborane(14) Dysprosium Dysprosium(III) fluoride Dysprosium(III) oxide Einsteinium Erbium Erbium chloride Erbium fluoride Erbium oxide Europium Europium(II) bromide Europium(III) chloride Europium(III) fluoride Europium (II) oxide Europium(III) oxide Fluorine Gadolinium Gadolinium(III) bromide Gadolinium(III) chloride Gadolinium(III) fluoride Gadolinium(III) iodide Gadolinium(III) oxide Gallium Gallium antimonide Gallium arsenide Gallium(III) bromide Gallium(III) chloride Gallium(III) iodide Gallium(III) oxide Germanium Germanium(IV) bromide Germanium(II) iodide Germanium(IV) iodide Germanium(IV) oxide Germanium(II) selenide Germanium(II) sulfide
Molecular formula CrF2 CrF3 CrI2 CrI3 Cr2O3 CrO3 CrS Co Br2Co Cl2Co CoF2 CoI2 CoO3Se CoS Cu BrCu ClCu Cl2Cu CuF2 CuI Cu2O CuO Cu2S Cm B10H14 Dy DyF3 Dy2O3 Es Er Cl3Er ErF3 Er2O3 Eu Br2Eu Cl3Eu EuF3 EuO Eu2O3 F2 Gd Br3Gd Cl3Gd F3Gd GdI3 Gd2O3 Ga GaSb AsGa Br3Ga Cl3Ga GaI3 Ga2O3 Ge Br4Ge GeI2 GeI4 GeO2 GeSe GeS
tm/°C 894 1425 867 857 2432 197 1567 1495 678 737 1127 520 659 1117 1084.62 483 423 598 836 591 1244 1227 1129 1345 98.78 1412 1157 2408 860 1529 776 1146 2418 822 683 623 647 1967 2350 -219.67 1313 785 602 1232 930 2425 29.7666 712 1238 123 77.9 212 1807 938.25 26.1 428 146 1116 675 658
ΔfusH/kJ mol-1 34 66 46 61 125 14.2 25.5 16.20 43 46.0 58.1 35 16.3 30 13.26 5.1 7.08 15.0 55 7.93 65.6 49 9.62 14.64 21.97 11.35 58.6 120 9.41 19.90 32.6 28.2 130 9.21 25.1 33.1 6.40 40 117 0.51 9.67 38.1 40.6 52.4 54.0 60 5.585 25.1 87.64 11.7 11.51 12.9 100 36.94 12 33.3 19.1 12.6 24.7 21.3
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Enthalpy of Fusion
6-112 Name Germanium(IV) sulfide Germanium(II) telluride Gold Hafnium Hafnium nitride Hafnium(IV) oxide Holmium Holmium bromide Holmium chloride Holmium fluoride Holmium oxide Hydrazine Hydrogen Hydrogen bromide Hydrogen chloride Hydrogen fluoride Hydrogen iodide Hydrogen peroxide Hydrogen sulfide Indium Indium antimonide Indium arsenide Indium(I) bromide Indium(III) bromide Indium(I) chloride Indium(III) chloride Indium(III) fluoride Indium(I) iodide Indium(II) iodide Indium(III) iodide Indium(III) oxide Indium(II) sulfide Iodine Iodine chloride Iridium Iridium(VI) fluoride Iron Iron boride (FeB) Iron(II) bromide Iron(II) chloride Iron(III) chloride Iron(II) fluoride Iron(III) fluoride Iron(II) iodide Iron(II) oxide Iron(II,III) oxide Iron(III) oxide Iron sodium oxide Iron(II) sulfide Krypton Lanthanum Lanthanum bromide Lanthanum chloride Lanthanum fluoride Lanthanum iodide Lead Lead(II) bromide Lead(II) chloride Lead(II) fluoride Lead(II) iodide
487_S06.indb 112
Molecular formula GeS2 GeTe Au Hf HfN HfO2 Ho Br3Ho Cl3Ho F3Ho Ho2O3 H4N2 H2 BrH ClH FH HI H2O2 H2S In InSb AsIn BrIn Br3In ClIn Cl3In F3In IIn I2In I3In In2O3 InS I2 ClI Ir F6Ir Fe BFe Br2Fe Cl2Fe Cl3Fe F2Fe F3Fe FeI2 FeO Fe3O4 Fe2O3 FeNaO2 FeS Kr La Br3La Cl3La F3La I3La Pb Br2Pb Cl2Pb F2Pb I2Pb
tm/°C 840 724 1064.18 2233 3310 2800 1472 919 720 1143 2415 1.54 -259.198 t -86.80 -114.17 -83.36 -50.76 -0.43 -85.5 156.60 524 942 285 420 225 583 1172 364.4 155 207 1912 692 113.7 27.38 2446 44 1538 1658 691 677 307.6 1100 367 594 1377 1597 1539 1347 1188 -157.38 920 788 858 1493 778 327.462 371 501 830 410
ΔfusH/kJ mol-1 16.3 47.3 12.55 27.20 62.8 96 11.76 50.1 30.5 56.3 130 12.66 0.12 2.41 2.00 4.58 2.87 12.50 2.38 3.291 47.7 77.0 24.3 26 9.20 27 64 17.26 1.29 18.48 105 36.0 15.52 11.6 41.12 8.40 13.81 62.66 43.0 42.83 40 50 0.58 39 24.1 138 87 49.4 31.5 1.64 6.20 54.0 54.4 50.2 56.1 4.774 16.44 21.88 14.7 23.4
Name Lead(II) oxide (massicot) Lead(II) sulfate Lead(II) sulfide Lithium Lithium aluminate Lithium bromide Lithium carbonate Lithium chloride Lithium chromate Lithium fluoride Lithium hexafluoroaluminate Lithium hydride Lithium hydride-d Lithium hydroxide Lithium iodide Lithium metasilicate Lithium nitrate Lithium nitrite Lithium oxide Lithium perchlorate Lithium sulfate Lutetium Lutetium oxide Magnesium Magnesium bromide Magnesium carbonate Magnesium chloride Magnesium fluoride Magnesium hydride Magnesium iodide Magnesium orthosilicate Magnesium oxide Magnesium phosphate Magnesium sulfate Magnesium sulfide Magnesium tetraboride Manganese Manganese(II) bromide Manganese(II) chloride Manganese(II) fluoride Manganese(II) iodide Manganese(II) oxide Manganese(II) sulfide (α form) Mercury Mercury(II) bromide Mercury(II) chloride Mercury(II) fluoride Mercury(I) iodide Mercury(II) iodide (yellow) Mercury(II) sulfide (black) Metaboric acid (γ form) Molybdenum Molybdenum boride (Mo2B5) Molybdenum(IV) chloride Molybdenum(V) chloride Molybdenum(VI) dioxydichloride Molybdenum(V) fluoride Molybdenum(VI) fluoride Molybdenum monoboride Molybdenum(VI) oxide
Molecular formula OPb O4PbS PbS Li AlLiO2 BrLi CLi2O3 ClLi CrLi2O4 FLi AlF6Li3 HLi DLi HLiO ILi Li2O3Si LiNO3 LiNO2 Li2O ClLiO4 Li2O4S Lu Lu2O3 Mg Br2Mg CMgO3 Cl2Mg F2Mg H2Mg I2Mg Mg2O4Si MgO Mg3O8P2 MgO4S MgS B4Mg Mn Br2Mn Cl2Mn F2Mn I2Mn MnO MnS Hg Br2Hg Cl2Hg F2Hg Hg2I2 HgI2 HgS BHO2 Mo B5Mo2 Cl4Mo Cl5Mo Cl2MoO2
tm/°C 887 1087 1113 180.50 1610 550 732 610 482 848.2 785 692 694 473 469 1201 253 222 1437 236 860 1663 2490 650 711 990 714 1263 327 634 1897 2825 1348 1137 2226 727 1246 698 650 900 638 1842 1530 -38.829 241 277 645 290 256 820 236 2623 2210 317 194 176
F5Mo F6Mo BMo MoO3
45.67 17.5 2600 802
ΔfusH/kJ mol-1 25.6 40.2 49.4 3.00 87.9 17.66 44.8 19.8 30.5 27.09 86.19 21.8 22 20.9 14.6 28 26.7 9.2 35.6 29.3 9.00 18.65 133 8.48 39.3 59 43.1 58.7 14 26 71 77 121 14.6 63 0.0 12.91 33.5 30.7 30 41.8 43.9 26.1 2.295 17.9 19.41 23.0 31.4 15.6 40 14.3 37.48 226 16.7 19 17.0 6.1 4.33 55.23 48.7
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Enthalpy of Fusion Name Molybdenum(VI) oxytetrachloride Molybdenum(VI) oxytetrafluoride Molybdenum(V) oxytrichloride Molybdenum(III) sulfide Neodymium Neodymium(III) bromide Neodymium(III) chloride Neodymium(III) fluoride Neodymium(III) iodide Neon Neptunium Nickel Nickel boride (Ni2B) Nickel boride (Ni3B) Nickel(II) bromide Nickel(II) chloride Nickel(II) fluoride Nickel(II) iodide Nickel(II) oxide Nickel(II) sulfide Nickel disulfide Nickel subsulfide Niobium Niobium(V) bromide Niobium(V) chloride Niobium(V) fluoride Niobium(V) iodide Niobium nitride Niobium(II) oxide Niobium(IV) oxide Niobium(V) oxide Nitric acid Nitric oxide Nitrogen Nitrogen tetroxide Nitrous oxide Osmium Osmium(VIII) oxide Oxygen Palladium Palladium(II) chloride Phosphinic acid Phosphonic acid Phosphoric acid Phosphorus (white) Phosphorus (red) Phosphorus(III) chloride Phosphorus heptasulfide Phosphorus(V) oxide Phosphorus sesquisulfide Phosphoryl chloride Platinum Plutonium Plutonium(III) bromide Plutonium(III) chloride Plutonium(III) fluoride Plutonium(IV) fluoride Plutonium(VI) fluoride
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6-113 Molecular formula Cl4MoO F4MoO Cl3MoO Mo2S3 Nd Br3Nd Cl3Nd F3Nd I3Nd Ne Np Ni BNi2 BNi3 Br2Ni Cl2Ni F2Ni I2Ni NiO NiS NiS2 Ni3S2 Nb Br5Nb Cl5Nb F5Nb I5Nb NNb NbO NbO2 Nb2O5 HNO3 NO N2 N2O4 N2O Os O4Os O2 Pd Cl2Pd H3O2P H3O3P H3O4P P P Cl3P P4S7 O5P2 P4S3 Cl3OP Pt Pu Br3Pu Cl3Pu F3Pu F4Pu F6Pu
tm/°C 105 97.2 310 1807 1016 682 759 1377 787 -248.609 644 1455 1125 1166 963 1031 1380 800 1957 976 1007 789 2477 254 205.8 80 327 2050 1937 1901 1512 -41.6 -163.6 -210.0 -9.3 -90.8 3033 40.6 -218.79 1554.8 679 26.5 74.4 42.4 44.15 579.2 -93 308 562 173 1.18 1768.2 640 681 760 1396 1037 51.6
ΔfusH/kJ mol-1 14.3 4 22 0.13 7.14 45.3 48.5 54.8 41.5 0.328 3.20 17.48 42.15 72.28 56 77.9 69 48 50.7 30.1 65.7 19.7 30 24.0 33.9 12.2 37.7 46.0 85.4 92 104.3 10.5 2.30 0.71 14.65 6.54 57.85 14.3 0.44 16.74 18.41 9.7 12.8 13.4 0.659 18.54 7.10 36.6 27.2 20.1 13.1 22.175 2.824 58.6 63.6 59.8 42.7 18.6
Name Plutonium(III) iodide Plutonium(III) oxide Plutonium(IV) oxide Polonium Potassium Potassium aluminate Potassium bromide Potassium carbonate Potassium chloride Potassium chromate Potassium cyanide Potassium fluoride Potassium fluoroborate Potassium hydride Potassium hydrogen fluoride Potassium hydroxide Potassium iodide Potassium metaborate Potassium nitrate Potassium nitrite Potassium oxide Potassium peroxide Potassium sulfate Potassium sulfide Potassium superoxide Praseodymium Praseodymium(III) bromide Praseodymium(III) chloride Praseodymium(III) fluoride Praseodymium(III) iodide Protactinium Radium Rhenium Rhenium(VII) oxide Rhodium Rubidium Rubidium bromide Rubidium carbonate Rubidium chloride Rubidium fluoride Rubidium hydride Rubidium hydroxide Rubidium iodide Rubidium metaborate Rubidium nitrate Rubidium nitrite Rubidium oxide Rubidium peroxide Rubidium sulfate Rubidium superoxide Ruthenium Ruthenium(V) fluoride Samarium Samarium(III) oxide Scandium Scandium chloride Scandium fluoride Scandium oxide Selenium (gray) Selenium dioxide
Molecular formula I3Pu O3Pu2 O2Pu Po K AlKO2 BrK CK2O3 ClK CrK2O4 CKN FK BF4K HK F2HK HKO IK BKO2 KNO3 KNO2 K2O K2O2 K2O4S K2S KO2 Pr Br3Pr Cl3Pr F3Pr I3Pr Pa Ra Re O7Re2 Rh Rb BrRb CO3Rb2 ClRb FRb HRb HORb IRb BO2Rb NO3Rb NO2Rb ORb2 O2Rb2 O4Rb2S O2Rb Ru F5Ru Sm O3Sm2 Sc Cl3Sc F3Sc O3Sc2 Se O2Se
tm/°C 777 2085 2390 254 63.5 1713 734 899 771 974 622 858 570 619 238.8 406 681 947 334 438 740 545 1069 948 535 931 693 786 1399 738 1572 696 3185 327 1964 39.30 692 873 724 795 585 385 656 860 310 422 505 570 1066 540 2334 101 1072 2335 1541 967 1552 2489 220.8 360
ΔfusH/kJ mol-1 50.2 113 67 10.0 2.335 82 25.52 27.6 26.28 33.0 14.6 27.2 17.66 21 6.62 7.90 24.0 31.38 9.6 16.7 27 20.5 36.6 16.15 20.6 6.89 47.3 50.6 57.3 53.1 12.34 7.7 34.08 65.7 26.59 2.19 23.3 30 24.4 25.8 22 8.0 22.1 31 4.6 12.1 20 21 37.3 21 38.59 74.5 8.62 119 14.10 67.4 62.6 127 6.69 17.6
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Enthalpy of Fusion
6-114 Name Silicon Silicon dioxide (cristobalite) Silicon monosulfide Silver Silver(I) bromide Silver(I) chloride Silver(I) iodide Silver(I) nitrate Silver(I) oxide Silver(I) sulfate Silver(I) sulfide Sodium Sodium bromate Sodium bromide Sodium carbonate Sodium chlorate Sodium chloride Sodium chromate Sodium cyanide Sodium fluoride Sodium formate Sodium hexafluoroaluminate Sodium hexafluorosilicate Sodium hydride Sodium hydroxide Sodium iodate Sodium iodide Sodium metaborate Sodium metasilicate Sodium nitrate Sodium nitrite Sodium oxide Sodium peroxide Sodium sulfate Sodium sulfide Sodium sulfite Strontium Strontium bromide Strontium carbonate Strontium chloride Strontium fluoride Strontium hydride Strontium hydroxide Strontium iodide Strontium nitrate Strontium oxide Strontium sulfate Strontium sulfide Sulfur (monoclinic) Sulfur hexafluoride Sulfuric acid Sulfur trioxide (γ-form) Tantalum Tantalum boride (TaB2) Tantalum(V) bromide Tantalum(V) chloride Tantalum(V) fluoride Tantalum(V) iodide Tantalum nitride (TaN) Tantalum nitride (Ta2N)
487_S06.indb 114
Molecular formula Si O2Si SSi Ag AgBr AgCl AgI AgNO3 Ag2O Ag2O4S Ag2S Na BrNaO3 BrNa CNa2O3 ClNaO3 ClNa CrNa2O4 CNNa FNa CHNaO2 AlF6Na3 F6Na2Si HNa HNaO INaO3 INa BNaO2 Na2O3Si NNaO3 NNaO2 Na2O Na2O2 Na2O4S Na2S Na2O3S Sr Br2Sr CO3Sr Cl2Sr F2Sr H2Sr H2O2Sr I2Sr N2O6Sr OSr O4SSr SSr S F6S H2O4S O3S Ta B2Ta Br5Ta Cl5Ta F5Ta I5Ta NTa NTa2
tm/°C 1414 1722 1090 961.78 430 455 558 210 827 660 836 97.794 381 747 856 248 800.7 794 562 996 257.3 1013 847 638 323 422 661 966 1089 306.5 284 1134 675 884 1172 911 777 657 1494 874 1477 1050 535 538 570 2531 1606 2226 115.21 -49.596 10.31 16.8 3017 3100 240 216.6 96.9 496 3090 2727
ΔfusH/kJ mol-1 50.21 9.6 31 11.30 9.163 13.054 9.414 11.72 15 17.99 7.9 2.60 28.11 26.23 29.7 22.6 28.16 24.7 8.79 33.35 17.7 114.4 99.6 26 6.60 35.1 23.7 36.2 51.8 15.5 14.9 47.7 24.5 23.85 19 25.9 7.43 10.5 40 16.22 29.7 23 23 19.7 44.6 81 36 63 1.721 5.02 10.71 8.60 36.57 83.68 37.7 35.1 12 7.74 6.7 92.0
Name Tantalum(V) oxide Technetium Tellurium Tellurium dioxide Tellurium tetrabromide Tellurium tetrachloride Terbium Terbium(III) bromide Terbium(III) chloride Tetrachlorosilane Tetraiodosilane Thallium Thallium(I) bromide Thallium(I) carbonate Thallium(I) chloride Thallium(I) fluoride Thallium(I) formate Thallium(I) iodide Thallium(I) nitrate Thallium(I) oxide Thallium(III) oxide Thallium(I) sulfate Thallium(I) sulfide Thorium Thorium(IV) bromide Thorium(IV) chloride Thorium(IV) fluoride Thorium(IV) iodide Thorium(IV) oxide Thulium Thulium(III) chloride Thulium(III) fluoride Tin (white) Tin(II) bromide Tin(IV) bromide Tin(II) chloride Tin(IV) chloride Tin(II) fluoride Tin(IV) fluoride Tin(II) iodide Tin(IV) iodide Tin(II) oxide Tin(IV) oxide Tin(II) sulfide Tin(II) telluride Titanium Titanium boride Titanium(IV) bromide Titanium(II) chloride Titanium(IV) chloride Titanium(IV) fluoride Titanium(IV) iodide Titanium nitride Titanium(III) oxide Titanium(IV) oxide (rutile) Titanium(II) sulfide Tungsten Tungsten boride (WB) Tungsten boride (W2B) Tungsten boride (W2B5)
Molecular formula O5Ta2 Tc Te O2Te Br4Te Cl4Te Tb Br3Tb Cl3Tb Cl4Si I4Si Tl BrTl CO3Tl2 ClTl FTl CHO2Tl ITl NO3Tl OTl2 O3Tl2 O4STl2 STl2 Th Br4Th Cl4Th F4Th I4Th O2Th Tm Cl3Tm F3Tm Sn Br2Sn Br4Sn Cl2Sn Cl4Sn F2Sn F4Sn I2Sn I4Sn OSn O2Sn SSn SnTe Ti B2Ti Br4Ti Cl2Ti Cl4Ti F4Ti I4Ti NTi O3Ti2 O2Ti STi W BW BW2 B5W2
tm/°C 1875 2157 449.51 733 380 224 1359 830 582 -68.74 120.5 304 460 273 431 326 101 441.7 206 579 834 632 457 1750 679 770 1110 566 3350 1545 845 1158 231.93 232 29.1 247.0 -34.07 215 442 320 402 977 1630 881 806 1668 2920 38.3 1035 -24.12 377 155 2947 1842 1912 1927 3422 2800 2740 2370
ΔfusH/kJ mol-1 120 33.29 17.38 28.9 24.7 18.9 10.15 31.5 19.5 7.60 19.7 4.142 16.4 18 15.56 13.87 10.9 14.7 9.6 30.3 53 23.8 23.0 13.81 54.4 43.9 41.8 48.1 90 16.84 34.9 28.9 7.148 18.0 12.2 14.52 9.20 10.5 27.6 18.0 0.16 27.7 23.4 31.6 45.2 14.15 100.4 12.9 34.3 9.97 41 19.8 66.9 104.6 68 32 52.31 80 117 240
3/14/06 3:08:44 PM
Enthalpy of Fusion Name Tungsten(V) bromide Tungsten(V) chloride Tungsten(VI) chloride Tungsten(VI) fluoride Tungsten(VI) oxide Tungsten(VI) oxytetrachloride Tungsten(VI) oxytetrafluoride Uranium Uranium(III) bromide Uranium(IV) bromide Uranium(IV) chloride Uranium(III) fluoride Uranium(IV) fluoride Uranium(V) fluoride Uranium(VI) fluoride Uranium(IV) iodide Uranium(IV) oxide Uranyl chloride Vanadium Vanadium(II) chloride Vanadium(IV) chloride Vanadium(II) fluoride Vanadium(III) fluoride Vanadium(V) fluoride Vanadium(II) oxide Vanadium(III) oxide Vanadium(IV) oxide Vanadium(V) oxide Water Xenon Xenon difluoride Xenon tetrafluoride Xenon hexafluoride Ytterbium Ytterbium(III) chloride Yttrium Yttrium chloride Yttrium fluoride Yttrium oxide Zinc Zinc bromide Zinc chloride Zinc fluoride Zinc iodide Zinc oxide Zinc phosphide (ZnP2) Zinc selenite Zinc sulfide (wurtzite) Zinc telluride Zirconium Zirconium boride Zirconium(II) bromide Zirconium(III) bromide Zirconium(IV) bromide Zirconium(II) chloride Zirconium(III) chloride Zirconium(IV) chloride Zirconium(II) fluoride Zirconium(III) fluoride Zirconium(IV) fluoride
487_S06.indb 115
6-115 Molecular formula Br5W Cl5W Cl6W F6W O3W Cl4OW F4OW U Br3U Br4U Cl4U F3U F4U F5U F6U I4U O2U Cl2O2U V Cl2V Cl4V F2V F3V F5V OV O3V2 O2V O5V2 H2O Xe F2Xe F4Xe F6Xe Yb Cl3Yb Y Cl3Y F3Y O3Y2 Zn Br2Zn Cl2Zn F2Zn I2Zn OZn P2Zn O3SeZn SZn TeZn Zr B2Zr Br2Zr Br3Zr Br4Zr Cl2Zr Cl3Zr Cl4Zr F2Zr F3Zr F4Zr
tm/°C 286 253 282 1.9 1473 210 105 1135 727 519 590 1495 1036 348 64.06 506 2847 577 1910 1350 -28 1490 1395 19.5 1790 1957 1545 681 0.00 -111.745 t 129.03 117.1 49.48 824 854 1522 721 1155 2439 419.53 402 325 872 450 1974 980 621 1827 1295 1854.7 3050 827 727 450 722 627 437 902 927 910
ΔfusH/kJ mol-1 17.2 20.6 6.69 4.10 73 18.8 6 9.14 43.9 55.2 44.8 36.8 47 35 19.2 42.1 74.2 44.06 21.5 35.0 2.30 44 57 49.96 50 140 56.0 64 6.01 2.27 16.8 16.3 5.74 7.66 35.4 11.39 31.5 27.9 81 7.068 15.7 10.30 40 17 70 92.9 46.4 30 63 21.00 104.6 28 33 27.0 30 29 37.7 50 61
Name Zirconium(II) iodide Zirconium(III) iodide Zirconium(IV) iodide Zirconium nitride Zirconium(IV) oxide Zirconium(IV) sulfide
Molecular formula I2Zr I3Zr I4Zr NZr O2Zr S2Zr
Organic compounds Acenaphthene Acenaphthylene Acetaldehyde Acetamide Acetaminophen Acetanilide Acetic acid Acetic anhydride Acetone Acetonitrile Acrylic acid Acrylonitrile Allene Allobarbital 2-Aminobenzoic acid 4-Aminobenzoic acid 3-Amino-1-propanol Aminopyrine Ampyrone Aniline Anisole Anthracene Antipyrine trans-Azobenzene trans-Azoxybenzene Barbital Benzaldehyde Benzamide Benz[a]anthracene Benzene Benzeneacetic acid 1,2-Benzenediamine 1,3-Benzenediamine 1,4-Benzenediamine Benzenethiol p-Benzidine Benzil Benzocaine Benzoic acid Benzonitrile Benzo[c]phenanthrene Benzophenone Benzo[a]pyrene Benzo[e]pyrene p-Benzoquinone Benzoyl chloride Benzyl alcohol 2,2’-Binaphthalene Biphenyl Bromobenzene 1-Bromobutane 2-Bromobutane
C12H10 C12H8 C2H4O C2H5NO C8H9NO2 C8H9NO C2H4O2 C4H6O3 C3H6O C2H3N C3H4O2 C3H3N C3H4 C10H12N2O3 C7H7NO2 C7H7NO2 C3H9NO C13H17N3O C11H13N3O C6H7N C7H8O C14H10 C11H12N2O C12H10N2 C12H10N2O C8H12N2O3 C7H6O C7H7NO C18H12 C6H6 C8H8O2 C6H8N2 C6H8N2 C6H8N2 C6H6S C12H12N2 C14H10O2 C9H11NO2 C7H6O2 C7H5N C18H12 C13H10O C20H12 C20H12 C6H4O2 C7H5ClO C7H8O C20H14 C12H10 C6H5Br C4H9Br C4H9Br
tm/°C 827 727 500 2952 2710 1550
93.4 91.8 -123.37 80.16 169.3 114.3 16.64 -74.1 -94.7 -43.82 12.5 -83.48 -136.6 172 146 188.2 12.4 107.5 109 -6.02 -37.13 215.76 112 67.88 34.6 190 -57.1 127.3 160.5 5.49 76.5 102.1 66.0 141.1 -14.93 127 94.87 89.7 122.35 -13.99 68 47.9 181.1 181.4 115 -0.4 -15.4 187.9 68.93 -30.72 -112.6 -112.65
ΔfusH/kJ mol-1 28 33 32 67.4 90 45
21.49 6.9 2.31 15.59 30.5 21.3 11.73 10.5 5.77 8.16 9.51 6.23 4.40 32.3 20.5 22.5 19.7 27.6 24.9 10.54 12.9 29.4 27.3 22.52 17.9 24.7 9.32 19.5 21.4 9.87 16.3 23.1 15.57 23.8 11.48 19.1 23.5 22.3 18.02 9.1 16.3 18.19 17.3 16.6 18.5 19.2 8.97 38.9 18.57 10.70 9.23 6.89
3/14/06 3:08:47 PM
Enthalpy of Fusion
6-116 Name Bromoethane Bromoethene 1-Bromoheptane 1-Bromohexane Bromomethane 1-Bromonaphthalene 2-Bromonaphthalene 1-Bromooctane 1-Bromopentane 1-Bromopropane 2-Bromopropane Bromotrichloromethane 1,2-Butadiene 1,3-Butadiene Butanal Butane 1,4-Butanediol 1-Butanethiol Butanoic acid 1-Butanol 2-Butanol 2-Butanone 1-Butene cis-2-Butene trans-2-Butene cis-2-Butenoic acid trans-2-Butenoic acid tert-Butylamine Butylbenzene Butylcyclohexane Butyl methyl ether 1-Butyne 2-Butyne γ-Butyrolactone Caffeine Carbazole Carbon dioxide Carbon diselenide Carbon disulfide Carbon monoxide Carbon oxysulfide Carbonyl chloride Chloroacetic acid 2-Chloroaniline 3-Chloroaniline 4-Chloroaniline Chlorobenzene 2-Chlorobenzoic acid Chlorocyclohexane Chlorodifluoromethane Chloroethane Chloroethene Chloromethane 2-Chloro-2-methylpropane 1-Chloronaphthalene 2-Chloronaphthalene 1-Chloro-2-nitrobenzene 1-Chloro-3-nitrobenzene 1-Chloro-4-nitrobenzene Chloropentafluoroethane
487_S06.indb 116
Molecular formula C2H5Br C2H3Br C7H15Br C6H13Br CH3Br C10H7Br C10H7Br C8H17Br C5H11Br C3H7Br C3H7Br CBrCl3 C4H6 C4H6 C4H8O C4H10 C4H10O2 C4H10S C4H8O2 C4H10O C4H10O C4H8O C4H8 C4H8 C4H8 C4H6O2 C4H6O2 C4H11N C10H14 C10H20 C5H12O C4H6 C4H6 C4H6O2 C8H10N4O2 C12H9N CO2 CSe2 CS2 CO COS CCl2O C2H3ClO2 C6H6ClN C6H6ClN C6H6ClN C6H5Cl C7H5ClO2 C6H11Cl CHClF2 C2H5Cl C2H3Cl CH3Cl C4H9Cl C10H7Cl C10H7Cl C6H4ClNO2 C6H4ClNO2 C6H4ClNO2 C2ClF5
tm/°C -118.6 -139.54 -56.1 -83.7 -93.68 6.1 55.9 -55.0 -88.0 -110.3 -89.0 -5.65 -136.2 -108.91 -96.86 -138.3 20.4 -115.7 -5.1 -88.6 -88.5 -86.64 -185.34 -138.88 -105.52 15 71.5 -66.94 -87.85 -74.73 -115.7 -125.7 -32.2 -43.61 236.3 246.3 -56.558 -43.7 -112.1 -205.02 -138.8 -127.78 63 -1.9 -10.28 70.5 -45.31 140.2 -43.81 -157.42 -138.4 -153.84 -97.7 -25.60 -2.5 58.0 32.1 44.4 82 -99.4
ΔfusH/kJ mol-1 7.47 5.12 21.8 18.1 5.98 15.2 14.4 24.7 14.37 6.44 6.53 2.53 6.96 7.98 10.77 4.66 18.70 10.46 11.59 9.37 5.97 8.39 3.96 7.31 9.76 12.6 13.0 0.882 11.22 14.16 10.85 6.03 9.23 9.57 22.0 24.1 9.02 6.36 4.39 0.833 4.73 5.74 12.28 11.9 10.15 20.0 9.6 25.6 2.043 4.12 4.45 4.92 6.43 2.07 12.9 14.0 17.9 19.4 14.1 1.86
Name 2-Chlorophenol 3-Chlorophenol 4-Chlorophenol 1-Chloropropane 2-Chloropropane 2-Chlorotoluene Chlorotrifluoroethene Chrysene Coronene o-Cresol m-Cresol p-Cresol Cyanamide Cyanogen Cyclobutane Cycloheptane Cycloheptanol Cyclohexane Cyclohexanol Cyclohexanone Cyclohexene Cyclohexylamine Cyclohexylbenzene Cyclooctane Cyclopentane Cyclopentanol Cyclopentene Cyclopentylamine Cyclopropane Cyclopropylamine cis-Decahydronaphthalene trans-Decahydronaphthalene Decanal Decane Decanoic acid 1-Decanol 1-Decene 1,2-Dibromoethane 1,2-Dibromopropane 1,3-Dibromopropane 1,2-Dibromotetrafluoroethane o-Dichlorobenzene m-Dichlorobenzene p-Dichlorobenzene 1,1-Dichloroethane 1,2-Dichloroethane 1,1-Dichloroethene cis-1,2-Dichloroethene Dichloromethane 1,2-Dichloropropane 2,2-Dichloropropane 1,2-Dichloro-1,1,2,2tetrafluoroethane Diethyl ether 3,3-Diethylpentane Diethyl sulfide o-Difluorobenzene m-Difluorobenzene Diisopropyl ether 1,2-Dimethoxyethane Dimethoxymethane
Molecular formula C6H5ClO C6H5ClO C6H5ClO C3H7Cl C3H7Cl C7H7Cl C2ClF3 C18H12 C24H12 C7H8O C7H8O C7H8O CH2N2 C2N2 C4H8 C7H14 C7H14O C6H12 C6H12O C6H10O C6H10 C6H13N C12H16 C8H16 C5H10 C5H10O C5H8 C5H11N C3H6 C3H7N C10H18 C10H18 C10H20O C10H22 C10H20O2 C10H22O C10H20 C2H4Br2 C3H6Br2 C3H6Br2 C2Br2F4 C6H4Cl2 C6H4Cl2 C6H4Cl2 C2H4Cl2 C2H4Cl2 C2H2Cl2 C2H2Cl2 CH2Cl2 C3H6Cl2 C3H6Cl2 C2Cl2F4 C4H10O C9H20 C4H10S C6H4F2 C6H4F2 C6H14O C4H10O2 C3H8O2
tm/°C 9.4 32.6 42.8 -122.9 -117.18 -35.8 -158.2 255.5 437.4 31.03 12.24 34.77 45.56 -27.83 -90.7 -8.46 7.2 6.59 25.93 -27.9 -103.5 -17.8 7.07 14.59 -93.4 -17.5 -135.0 -82.7 -127.58 -35.39 -42.9 -30.4 -4.0 -29.6 31.4 6.9 -66.3 9.84 -55.49 -34.5 -110.32 -17.0 -24.8 53.09 -96.9 -35.7 -122.56 -80.0 -97.2 -100.53 -33.9 -92.53 -116.2 -33.1 -103.91 -47.1 -69.12 -85.4 -69.20 -105.1
ΔfusH/kJ mol-1 13.0 14.9 14.1 5.54 7.39 9.6 5.55 26.2 19.2 15.82 10.71 12.71 7.27 8.11 1.09 1.88 1.60 2.68 1.78 1.328 3.29 17.5 15.6 2.41 0.61 1.535 3.36 8.31 5.44 13.18 9.49 14.41 34.5 28.72 27.8 43 13.81 10.89 8.94 14.6 7.04 12.4 12.6 18.19 7.87 8.84 6.51 7.2 4.60 6.40 2.30 1.51 7.19 10.09 10.90 11.05 8.58 12.04 12.6 8.33
3/14/06 3:08:50 PM
Enthalpy of Fusion Name Dimethylamine 2,2-Dimethylbutane 2,3-Dimethylbutane 2,3-Dimethyl-2-butene 1,1-Dimethylcyclohexane cis-1,2-Dimethylcyclohexane trans-1,2-Dimethylcyclohexane cis-1,3-Dimethylcyclohexane trans-1,3-Dimethylcyclohexane cis-1,4-Dimethylcyclohexane trans-1,4-Dimethylcyclohexane Dimethyl disulfide Dimethyl ether N,N-Dimethylformamide 1,1-Dimethylhydrazine 1,2-Dimethylhydrazine Dimethyl oxalate 2,2-Dimethylpentane 2,4-Dimethylpentane 3,3-Dimethylpentane Dimethyl sulfide Dimethyl sulfone Dimethyl sulfoxide N,N-Dimethylurea N,N’-Dimethylurea Dimethyl zinc 1,4-Dioxane 1,3-Dioxolane Diphenylamine Diphenyl ether Diphenylmethane Dipropyl ether Divinyl ether Docosane Dodecane Dodecanoic acid 1-Dodecanol 1-Dodecene Dotriacontane Eicosane 1-Eicosanol Estradiol benzoate Ethane 1,2-Ethanediamine 1,2-Ethanediol Ethanethiol Ethanol Ethinylestradiol Ethyl acetate Ethylbenzene Ethylcyclohexane Ethylene Ethyl methyl sulfide 3-Ethylpentane 2-Ethyltoluene 3-Ethyltoluene 4-Ethyltoluene Fluoranthene 9H-Fluorene Fluorobenzene
487_S06.indb 117
6-117 Molecular formula C2H7N C6H14 C6H14 C6H12 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C2H6S2 C2H6O C3H7NO C2H8N2 C2H8N2 C4H6O4 C7H16 C7H16 C7H16 C2H6S C2H6O2S C2H6OS C3H8N2O C3H8N2O C2H6Zn C4H8O2 C3H6O2 C12H11N C12H10O C13H12 C6H14O C4H6O C22H46 C12H26 C12H24O2 C12H26O C12H24 C32H66 C20H42 C20H42O C25H28O3 C2H6 C2H8N2 C2H6O2 C2H6S C2H6O C20H24O2 C4H8O2 C8H10 C8H16 C2H4 C3H8S C7H16 C9H12 C9H12 C9H12 C16H10 C13H10 C6H5F
tm/°C -92.18 -98.8 -128.10 -74.19 -33.3 -49.8 -88.15 -75.53 -90.07 -87.39 -36.93 -84.67 -141.5 -60.48 -57.20 -8.9 54.8 -123.7 -119.2 -134.4 -98.24 108.9 17.89 182.1 106.6 -43.0 11.85 -97.22 53.2 26.864 25.4 -114.8 -100.6 43.6 -9.57 43.8 23.9 -35.2 69.4 36.6 65.4 193 -182.79 11.14 -12.69 -147.88 -114.14 183.5 -83.8 -94.96 -111.3 -169.15 -105.93 -118.55 -79.83 -95.6 -62.35 110.19 114.77 -42.18
ΔfusH/kJ mol-1 5.94 0.58 0.79 6.45 2.07 1.64 10.49 10.82 9.87 9.31 12.33 9.19 4.94 7.90 10.07 13.64 21.1 5.82 6.85 6.85 7.99 18.30 14.37 23.0 13.0 6.83 12.84 6.57 18.5 17.22 18.6 10.8 7.9 48.8 36.8 36.3 40.2 19.9 75.8 69.9 42 41.8 2.72* 22.58 9.96 4.98 4.931 27.9 10.48 9.18 8.33 3.35 9.76 9.55 9.96 7.6 12.7 18.69 19.58 11.31
Name Formamide Formic acid Furan Furfural Furfuryl alcohol Glycerol Heneicosane Heptacosane Heptadecane Heptanal Heptane Heptanoic acid 1-Heptanol 1-Heptene Hexachlorobenzene Hexachloroethane Hexacontane Hexacosane Hexadecane Hexadecanoic acid 1-Hexadecanol Hexafluorobenzene Hexafluoroethane Hexamethylbenzene Hexanal Hexane 1,6-Hexanedioic acid 1,6-Hexanediol 1-Hexanol 2-Hexanone 3-Hexanone Hexatetracontane Hexatriacontane 1-Hexene cis-2-Hexene Hydrogen cyanide p-Hydroquinone 2-Hydroxybenzoic acid Imidazole Indan Indene Indomethacin Iodobenzene Isobutane Isobutene Isopentane Isopropylamine Isopropylbenzene 1-Isopropyl-4-methylbenzene Isoquinoline Khellin Maleic anhydride Methane Methanethiol Methanol Methyl acetate Methylamine 2-Methylaniline 3-Methylaniline 4-Methylaniline
Molecular formula CH3NO CH2O2 C4H4O C5H4O2 C5H6O2 C3H8O3 C21H44 C27H56 C17H36 C7H14O C7H16 C7H14O2 C7H16O C7H14 C6Cl6 C2Cl6 C60H122 C26H54 C16H34 C16H32O2 C16H34O C6F6 C2F6 C12H18 C6H12O C6H14 C6H10O4 C6H14O2 C6H14O C6H12O C6H12O C46H94 C36H74 C6H12 C6H12 CHN C6H6O2 C7H6O3 C3H4N2 C9H10 C9H8 C19H16ClNO4 C6H5I C4H10 C4H8 C5H12 C3H9N C9H12 C10H14 C9H7N C14H12O5 C4H2O3 CH4 CH4S CH4O C3H6O2 CH5N C7H9N C7H9N C7H9N
tm/°C 2.49 8.3 -85.61 -38.1 -14.6 18.1 40.01 59.23 22.0 -43.4 -90.55 -7.17 -33.2 -118.9 228.83 186.8t 99.3 56.1 18.12 62.5 49.2 5.03 -100.05 165.5 -56 -95.35 152.5 41.5 -47.4 -55.5 -55.4 87.6 75.8 -139.76 -141.11 -13.29 172.4 159.0 89.5 -51.38 -1.5 160 -31.3 -159.4 -140.7 -159.77 -95.13 -96.02 -67.94 26.47 154 52.56 -182.47 -123 -97.53 -98.25 -93.5 -14.41 -31.3 43.6
ΔfusH/kJ mol-1 8.44 12.68 3.80 14.37 13.13 18.3 45.21 61.9 40.16 23.2 14.03 15.13 18.17 12.41 25.2 9.75 193.2 60.0 53.36 53.7 33.6 11.59 2.69 20.6 13.3 13.08 36.3 22.2 15.38 14.9 13.49 176.0 87.7 9.35 8.88 8.41 26.8 14.2 12.82 8.60 10.20 36.9 9.75 4.54 5.92 5.15 7.33 7.33 9.66 13.54 32.3 13.60 0.94 5.91 3.215 7.49 6.13 11.66 7.9 18.9
3/14/06 3:08:53 PM
Enthalpy of Fusion
6-118 Name Methyl benzoate 2-Methyl-1,3-butadiene 2-Methyl-2-butanol 3-Methyl-2-butanone 2-Methyl-1-butene 3-Methyl-1-butene 2-Methyl-2-butene Methyl tert-butyl ether Methylcyclohexane Methylcyclopentane Methylcyclopropane 2-Methylfuran 2-Methylheptane 3-Methylheptane 4-Methylheptane 2-Methylhexane Methylhydrazine Methyl methacrylate 1-Methylnaphthalene 2-Methylnaphthalene Methyl nitrate Methyloxirane 2-Methylpentane 3-Methylpentane 2-Methyl-1-propanol 2-Methyl-2-propanol 2-Methylpyridine 3-Methylpyridine 4-Methylpyridine N-Methylurea Morpholine Naphthalene 1-Naphthol 2-Naphthol Neopentane Niacinamide 2-Nitroaniline 3-Nitroaniline 4-Nitroaniline Nitrobenzene Nitroethane Nitromethane 2-Nitrophenol 3-Nitrophenol 4-Nitrophenol Nitrosobenzene 4-Nitrotoluene Nonacosane Nonadecane Nonanal Nonane Nonanoic acid 5-Nonanone Octacosane Octadecane 1-Octadecanol Octane Octanoic acid 1-Octanol Octatriacontane
487_S06.indb 118
Molecular formula C8H8O2 C5H8 C5H12O C5H10O C5H10 C5H10 C5H10 C5H12O C7H14 C6H12 C4H8 C5H6O C8H18 C8H18 C8H18 C7H16 CH6N2 C5H8O2 C11H10 C11H10 CH3NO3 C3H6O C6H14 C6H14 C4H10O C4H10O C6H7N C6H7N C6H7N C2H6N2O C4H9NO C10H8 C10H8O C10H8O C5H12 C6H6N2O C6H6N2O2 C6H6N2O2 C6H6N2O2 C6H5NO2 C2H5NO2 CH3NO2 C6H5NO3 C6H5NO3 C6H5NO3 C6H5NO C7H7NO2 C29H60 C19H40 C9H18O C9H20 C9H18O2 C9H18O C28H58 C18H38 C18H38O C8H18 C8H16O2 C8H18O C38H78
tm/°C -12.4 -145.9 -9.1 -93.1 -137.53 -168.43 -133.72 -108.6 -126.6 -142.42 -177.6 -91.3 -109.02 -120.48 -121.0 -118.2 -52.36 -47.55 -30.43 34.6 -83.0 -111.9 -153.6 -162.90 -101.9 25.69 -66.68 -18.14 3.67 104.9 -4.8 80.26 95.0 121.5 -16.4 130 71.0 113.4 147.5 5.7 -89.5 -28.38 44.8 96.8 113.6 67 51.63 63.7 32.0 -19.3 -53.46 12.4 -3.8 61.1 28.2 57.9 -56.82 16.5 -14.8 78.6
ΔfusH/kJ mol-1 9.74 4.93 4.46 9.34 7.91 5.36 7.60 7.60 6.75 6.93 2.8 8.55 11.92 11.69 10.8 9.19 10.42 14.4 6.95 12.13 8.24 6.53 6.27 5.30 6.32 6.70 9.72 14.18 12.58 14.0 14.5 19.01 23.1 18.1 3.10 23.2 16.1 23.6 21.2 12.12 9.85 9.70 17.7 20.6 18.8 31.0 16.81 66.9 45.8 30.5 15.47 19.82 24.93 65.1 61.7 45 20.73 21.35 23.7 133.2
Name 1-Octene 2-Oxepanone Oxetane Oxirane 4-Oxopentanoic acid Paraldehyde Pentachloroethane Pentacontane Pentacosane Pentadecane cis-1,3-Pentadiene trans-1,3-Pentadiene 1,4-Pentadiene Pentaerythritol Pentafluorobenzene Pentafluorophenol 2,3,4,5,6-Pentafluorotoluene Pentane Pentanedioic acid Pentanenitrile 1-Pentanethiol Pentanoic acid 1-Pentanol 2-Pentanone 3-Pentanone Pentatriacontane 1-Pentene cis-2-Pentene trans-2-Pentene Perfluoroacetone Perfluorobutane Perfluorocyclobutane Perfluoroheptane Perfluorohexane Perfluoropropane Perfluorotoluene Perylene Phenacetin Phenanthrene Phenobarbital Phenol α-Phenylbenzeneacetic acid Phenylbutazone Phenylhydrazine Piperidine Potassium acetate Propane 1,3-Propanediol Propanenitrile 1-Propanethiol 2-Propanethiol Propanoic acid 1-Propanol 2-Propanol Propene Propylamine Propylbenzene Propylcyclohexane Pyrazine 1H-Pyrazole
Molecular formula C8H16 C6H10O2 C3H6O C2H4O C5H8O3 C6H12O3 C2HCl5 C50H102 C25H52 C15H32 C5H8 C5H8 C5H8 C5H12O4 C6HF5 C6HF5O C7H3F5 C5H12 C5H8O4 C5H9N C5H12S C5H10O2 C5H12O C5H10O C5H10O C35H72 C5H10 C5H10 C5H10 C3F6O C4F10 C4F8 C7F16 C6F14 C3F8 C7F8 C20H12 C10H13NO2 C14H10 C12H12N2O3 C6H6O C14H12O2 C19H20N2O2 C6H8N2 C5H11N C2H3KO2 C3H8 C3H8O2 C3H5N C3H8S C3H8S C3H6O2 C3H8O C3H8O C3H6 C3H9N C9H12 C9H18 C4H4N2 C3H4N2
tm/°C -101.7 -1.0 -97 -112.5 33 12.6 -28.78 92.1 53.93 9.95 -140.8 -87.4 -148.2 258 -47.4 37.5 -29.78 -129.67 97.8 -96.2 -75.65 -33.6 -77.6 -76.8 -39 74.6 -165.12 -151.36 -140.21 -125.45 -129.1 -40.19 -51.2 -88.2 -147.70 -65.49 277.76 134 99.24 174.0 40.89 147.29 105 20.6 -11.02 309 -187.63 -27.7 -92.78 -113.13 -130.5 -20.5 -124.39 -87.9 -185.24 -84.75 -99.6 -94.9 51.0 70.7
ΔfusH/kJ mol-1 15.31 13.83 6.5 5.17 9.22 13.5 11.3 162.4 56.9 34.6 5.64 7.14 6.12 4.8 10.87 16.41 13.1 8.40 20.3 9 17.53 14.16 10.50 10.63 11.59 86.3 5.94 7.11 8.35 8.38 7.66 2.77 6.95 6.84 0.477 11.54 31.9 33.0 16.46 27.8 11.51 31.3 27.7 14.05 14.85 7.65 3.50 7.1 5.03 5.48 5.74 10.66 5.37 5.41 3.003 10.97 9.27 10.37 12.9 14.0
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Enthalpy of Fusion Name Pyrene Pyridine Pyrocatechol Pyrrole Pyrrolidine Quinoline Resorcinol Sebacic acid Sodium acetate Sodium hydrogen carbonate Spiro[2.2]pentane Stearic acid trans-Stilbene Styrene Succinic acid Succinic anhydride Succinonitrile Sulfacetamide Sulfadiazine Sulfamerazine Sulfamethoxazole Sulfamethoxypyridazine Sulfapyridine Sulfathiazole Sulfisoxazole o-Terphenyl p-Terphenyl Tetrabromomethane 1,1,2,2-Tetrachloro-1,2difluoroethane 1,1,2,2-Tetrachloroethane Tetrachloroethene Tetrachloromethane Tetracontane Tetracosane Tetradecane Tetradecanoic acid 1-Tetradecanol 1,2,3,5-Tetrafluorobenzene 1,2,4,5-Tetrafluorobenzene Tetrafluoroethene Tetrafluoromethane Tetrahydrofuran Tetrahydropyran Tetrahydrothiophene 1,2,4,5-Tetramethylbenzene Tetramethyl lead 2,2,3,3-Tetramethylpentane 2,2,4,4-Tetramethylpentane Tetramethylsilane Tetramethylstannane Tetratetracontane Tetratriacontane 1H-Tetrazole
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6-119 Molecular formula C16H10 C5H5N C6H6O2 C4H5N C4H9N C9H7N C6H6O2 C10H18O4 C2H3NaO2 CHNaO3 C5H8 C18H36O2 C14H12 C8H8 C4H6O4 C4H4O3 C4H4N2 C8H10N2O3S C10H10N4O2S C11H12N4O2S C10H11N3O3S C11H12N4O3S C11H11N3O2S C9H9N3O2S2 C11H13N3O3S C18H14 C18H14 CBr4 C2Cl4F2 C2H2Cl4 C2Cl4 CCl4 C40H82 C24H50 C14H30 C14H28O2 C14H30O C6H2F4 C6H2F4 C2F4 CF4 C4H8O C5H10O C4H8S C10H14 C4H12Pb C9H20 C9H20 C4H12Si C4H12Sn C44H90 C34H70 CH2N4
tm/°C 150.62 -41.70 104.6 -23.39 -57.79 -14.78 109.4 130.9 328.2 527 -107.0 69.3 124.2 -30.65 187.9 119 58.06 183 258 236 170 182.5 192 202 196 56.20 213.9 92.3 24.8 -42.4 -22.3 -22.62 81.5 50.4 5.82 54.2 38.2 -46.25 3.88 -131.15 -183.60 -108.44 -49.1 -96.2 79.3 -30.2 -9.75 -66.54 -99.06 -55.1 85.6 72.5 157.3
ΔfusH/kJ mol-1 17.36 8.28 22.8 7.91 8.58 10.66 20.4 40.8 17.9 25 6.43 61.2 27.7 10.9 32.4 20.4 3.70 22.4 42.6 38.7 32.2 31.3 34.4 26.4 30.2 17.19 35.3 3.76 3.67 9.17 10.88 2.56 135.5 54.4 45.07 45.1 25.1* 6.36 15.05 7.72 0.704 8.54 1.8 7.35 21 10.80 2.33 9.74 6.87 9.30 149.6 79.4 18.2
Name Thiazole Thietane Thiophene Thiourea Thymol Toluene o-Toluic acid m-Toluic acid p-Toluic acid Triacontane 1,3,5-Triazine Tribromomethane Trichloroacetic acid 1,2,3-Trichlorobenzene 1,2,4-Trichlorobenzene 1,3,5-Trichlorobenzene 1,1,1-Trichloroethane 1,1,2-Trichloroethane Trichloroethene Trichlorofluoromethane Trichloromethane 1,1,2-Trichloro-1,2,2trifluoroethane Tricosane Tridecane 1-Tridecanol 1,1,1-Trifluoroethane Trifluoromethane Triiodomethane Trimethoprim Trimethylamine 1,2,3-Trimethylbenzene 1,2,4-Trimethylbenzene 1,3,5-Trimethylbenzene 2,2,3-Trimethylbutane 2,2,4-Trimethylpentane 1,3,5-Trinitrobenzene Trinitroglycerol 2,4,6-Trinitrotoluene 1,3,5-Trioxane Triphenylamine Triphenylene Tritriacontane Undecane Urea o-Xylene m-Xylene p-Xylene 2,3-Xylenol 2,5-Xylenol 2,6-Xylenol 3,4-Xylenol 3,5-Xylenol
Molecular formula C3H3NS C3H6S C4H4S CH4N2S C10H14O C7H8 C8H8O2 C8H8O2 C8H8O2 C30H62 C3H3N3 CHBr3 C2HCl3O2 C6H3Cl3 C6H3Cl3 C6H3Cl3 C2H3Cl3 C2H3Cl3 C2HCl3 CCl3F CHCl3 C2Cl3F3
tm/°C -33.62 -73.24 -38.21 178 49.5 -94.95 103.5 109.9 179.6 65.1 80.3 8.69 59.2 51.3 16.92 62.8 -30.01 -36.3 -84.7 -110.44 -63.41 -36.22
ΔfusH/kJ mol-1 9.57 8.25 5.07 14.0 21.3 6.64 19.5 15.7 22.7 68.3 14.56 11.05 5.90 17.9 16.4 18.1 2.35 11.46 8.45 6.89 9.5 2.47
C23H48 C13H28 C13H28O C2H3F3 CHF3 CHI3 C14H18N4O3 C3H9N C9H12 C9H12 C9H12 C7H16 C8H18 C6H3N3O6 C3H5N3O9 C7H5N3O6 C3H6O3 C18H15N C18H12 C33H68 C11H24 CH4N2O C8H10 C8H10 C8H10 C8H10O C8H10O C8H10O C8H10O C8H10O
47.76 -5.4 31.7 -111.3 -155.2 121.2 199 -117.1 -25.4 -43.77 -44.72 -24.6 -107.3 122.9 13.5 80.5 60.29 126.5 197.8 71.2 -25.5 133.3 -25.2 -47.8 13.25 72.5 74.8 45.8 65.1 63.4
50.86 28.50 41.4 6.19 4.06 16.44 49.4 7 8.18 13.19 9.51 2.26 9.20 15.4 21.87 22.9 15.11 24.9 24.74 79.5 22.2 13.9 13.6 11.6 17.12 21.0 23.4 18.9 18.1 17.4
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Pressure and Temperature Dependence of Liquid Density This table gives data on the variation of the density of some common liquids with pressure and temperature. The pressure dependence is described to first order by the isothermal compressibility coefficient κ defined as
κ = -(1/V) (∂V/∂P)T
where V is the volume, and the temperature dependence by the cubic expansion coefficient α,
α = (1/V) (∂V/∂T)P
Substances are listed by molecular formula in the Hill order. More precise data on the variation of density with temperature over a wide temperature range can be found in Reference 1. Molecular formula Cl3P H2O
Name Phosphorus trichloride Water
Hg CCl4
Mercury Tetrachloromethane
CHBr3 CHCl3
Tribromomethane Trichloromethane
CH2Br2 CH2Cl2 CH3I CH4O
Dibromomethane Dichloromethane Iodomethane Methanol
CS2
Carbon disulfide
C2Cl4 C2HCl3 C2H2Cl2 C2H4Cl2 C2H4Cl2 C2H4O2
Tetrachloroethylene Trichloroethylene trans-1,2-Dichloroethylene 1,1-Dichloroethane 1,2-Dichloroethane Acetic acid
C2H5Br C2H5I C2H6O
Bromoethane Iodoethane Ethanol
C2H6O2 C3H6O
Ethylene glycol Acetone
C3H7Br C3H7Cl C3H7I C3H8O C3H8O C3H8O2 C3H8O2 C3H8O3 C4H8O2
1-Bromopropane 1-Chloropropane 1-Iodopropane 1-Propanol 2-Propanol 1,2-Propanediol 1,3-Propanediol Glycerol Ethyl acetate
References 1. Lide, D. R., and Kehiaian, H. V., CRC Handbook of Thermophysical and Thermochemical Data, CRC Press, Boca Raton, FL, 1994. 2. Le Neindre, B., Effets des Hautes et Très Hautes Pressions, in Techniques de l’Ingénieur, Paris, 1991. 3. Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, New Series, IV/4, High-Pressure Properties of Matter, Springer–Verlag, Heidelberg, 1980. 4. Riddick, J.A., Bunger, W.B., and Sakano, T.K., Organic Solvents, Fourth Edition, John Wiley & Sons, New York, 1986. 5. Isaacs, N. S., Liquid Phase High Pressure Chemistry, John Wiley, New York, 1981.
Isothermal compressibility t/°C κ × 104/MPa–1 20 9.45 20 4.591 25 4.524 30 4.475 20 0.401 20 10.50 40 12.20 70 15.6 50 8.76 20 9.96 50 12.9 27 6.85 25 10.3 27 10.3 20 12.14 40 13.83 20 9.38 40 10.6 25 7.56 25 8.57 25 11.2 20 7.97 30 8.46 20 9.08 80 13.7 20 11.53 20 9.82 20 11.19 70 15.93 20 3.64 20 12.62 40 15.6 0 10.22 0 12.09 0 10.22 0 8.43 40 13.32 0 4.45 0 4.09 0 2.54 20 11.32 60 16.2
Cubic thermal expansion t/°C α × 103/°C–1 20 1.9 20 0.206 25 0.256 30 0.302 20 0.1811 20 1.14 40 1.21 70 1.33 25 0.91 20 1.21 50 1.33 25 25 20 40 20 35 25 25 25 25 20 20 80 20 25 20 70 20 20 40 25 20 25 0 40 20 20 20 20 60
1.39 1.26 1.49 1.59 1.12 1.16 1.02 1.17 1.36 0.93 1.14 1.08 1.38 1.31 1.17 1.40 1.67 0.626 1.46 1.57 1.2 1.4 1.09 1.22 1.55 0.695 0.61 0.520 1.35 1.54
6-120
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Pressure and Temperature Dependence of Liquid Density
487_S06.indb 121
Molecular formula C4H9Br C4H9I C4H10O C4H10O
Name 1-Bromobutane 1-Iodobutane 1-Butanol Diethyl ether
C4H10O3 C5H10 C5H11Br C5H11I C5H12 C5H12O C6H5Br C6H5Cl C6H5NO2 C6H6
Diethylene glycol Cyclopentane 1-Bromopentane 1-Iodopentane Pentane 1-Pentanol Bromobenzene Chlorobenzene Nitrobenzene Benzene
C6H6O C6H7N
Phenol Aniline
C6H12
Cyclohexane
C6H14
Hexane
C6H14 C6H14 C6H14 C6H14O C6H15NO3 C7H8
2-Methylpentane 3-Methylpentane 2,3-Dimethylbutane 1-Hexanol Triethanolamine Toluene
C7H8O C7H14 C7H16 C8H10 C8H10 C8H10 C8H16 C8H18
Anisole Cycloheptane Heptane o-Xylene m-Xylene p-Xylene Cyclooctane Octane
C8H18O C9H12 C9H14O6 C9H20 C10H22 C11H24 C12H26 C13H28 C14H30 C15H32 C16H22O4 C16H34
1-Octanol Mesitylene Triacetin Nonane Decane Undecane Dodecane Tridecane Tetradecane Pentadecane Butyl phthalate Hexadecane
C19H36O2
Methyl oleate
Isothermal compressibility t/°C κ × 104/MPa–1 25 10.26 0 7.73 0 8.10 20 18.65 30 20.85 0 3.34 20 13.31 0 8.42 0 7.56 25 21.80 0 7.71 20 6.46 20 7.45 20 4.93 25 9.66 45 11.28 60 6.05 20 4.53 80 6.32 20 11.30 60 15.2 25 16.69 45 20.27 0 13.97 0 14.57 20 17.97 25 8.24 0 3.61 20 8.96 50 11.0 20 6.60 20 9.22 25 14.38 25 8.10 20 8.46 25 8.59 20 8.03 25 12.82 45 15.06 25 7.64 25 8.14 0 4.49 25 11.75 25 10.94 25 10.31 25 9.88 25 9.48 25 9.10 25 8.82 0 5.0 25 8.57 45 9.78 0 6.18
6-121 Cubic thermal expansion t/°C α × 103/°C–1 20 1.13 25 1.02 0 1.12 20 1.65 30 1.72 20 0.635 20 1.35 25 1.04 25 0 20 20 25 25 45 60 20 80 20 60 25 45 25 25 25 25 55 20 50 20
1.64 1.02 0.86 0.94 0.833 1.14 1.21 0.82 0.81 0.91 1.15 1.29 1.41 1.52 1.43 1.40 1.39 1.03 0.53 1.05 1.13 0.951
25 25 20 25
1.26 0.96 0.99 1.00
25 45 25 25 25 25 25 25 25 25 25
1.16 1.23 0.827 0.94 0.94 1.08 1.02 0.97 0.93 0.90 0.87
25
0.86
60
0.85
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Properties of Cryogenic Fluids This table gives physical and thermodynamic properties of eight cryogenic fluids. The properties are: Molar mass in grams per mole Triple point temperature in kelvins Triple point pressure in kilopascals Liquid density at the triple point in grams per milliliter ∆fusH @ Tt Enthalpy of fusion at the triple point in joules per gram Tb Normal boiling point in kelvins at a pressure of 101325 pascals (760 mmHg) ∆vapH @ Tb Enthalpy of vaporization at the normal boiling point in joules per gram ρ (l) @ Tb Liquid density at the normal boiling point in grams per milliliter ρ (g) @ Tb Vapor density at the normal boiling point in grams per liter Cp (l) @ Tb Liquid heat capacity at constant pressure at the normal boiling point in joules per gram kelvin p (g) @ Tb Vapor heat capacity at constant pressure at the C normal boiling point in joules per gram kelvin Tc Critical temperature in kelvins Pc Critical pressure in megapascals ρc Critical density in grams per milliliter M Tt Pt ρt (l)
Property M Tt Pt ρt (l) ∆fusH @ Tt Tb ∆vapH @ Tb ρ (l) @ Tb ρ (g) @ Tb Cp (l) @ Tb Cp (g) @ Tb Tc Pc ρc
Units g/mol K kPa g/mL J/g K J/g g/mL g/L J/g K J/g K K MPa g/mL
Air 28.96 59.75 0.959 78.67 198.7 0.8754 3.199 1.865 132.5 3.766 0.316
N2 28.014 63.15 12.463 0.870 25.3 77.35 198.8 0.807 4.622 2.042 1.341 126.20 3.390 0.313
O2 31.999 54.3584 0.14633 1.306 13.7 90.188 213.1 1.141 4.467 1.699 0.980 154.581 5.043 0.436
H2 2.0159 13.8 7.042 0.0770 59.5 20.28 445 0.0708 1.3390 9.668 12.24 32.98 1.293 0.031
In the case of air, the value given for the triple point temperature is the incipient solidification temperature, and the normal boiling point value is the incipient boiling (bubble) point. See Reference 3 for more details.
References 1. Younglove, B. A., J. Phys. Chem. Ref. Data, 11, Suppl. 1, 1982. 2. Daubert, T. E., Danner, R. P., Sibul, H. M., and Stebbins, C. C., Physical and Thermodynamic Properties of Pure Compounds: Data Compilation, extant 1994 (core with 4 supplements), Taylor & Francis, Bristol, PA (also available as database). 3. Sytchev, V. V., et al., Thermodynamic Properties of Air, Hemisphere Publishing, New York, 1987. 4. Jacobsen, R. T., Stewart, R. B., and Jahangiri, M., J. Phys. Chem. Ref. Data, 15, 735, 1986. [Nitrogen] 5. Stewart, R. B., Jacobsen, R. T., and Wagner, W., J. Phys. Chem. Ref. Data, 20, 917, 1991. [Oxygen] 6. McCarty, R. D., J. Phys. Chem. Ref. Data, 2, 923, 1973. [Helium] Also, Donnelly, R. J., private communication. 7. Stewart, R. B. and Jacobsen, R. T., J. Phys. Chem. Ref. Data, 18, 639, 1989. [Argon] 8. Setzmann, U. and Wagner, W., J. Phys. Chem. Ref. Data, 20, 1061, 1991. [Methane] 9. Vargaftik, N. B., Thermophysical Properties of Liquids and Gases, 2nd ed., John Wiley, New York, 1975.
He 4.0026
4.2221 20.7 0.124901 16.89 4.545 9.78 5.1953 0.227460 0.06964
Ne 20.180 24.5561 50 1.251 16.8 27.07 84.8 1.204 9.51 1.877 44.40 2.760 0.484
Ar 39.948 83.8058 68.95 1.417 28.0 87.293 161.0 1.396 5.79 1.078 0.570 150.663 4.860 0.531
Kr 83.800 115.8 72.92 2.449 16.3 119.92 108.4 2.418 8.94 0.533 0.248 209.40 5.500 0.919
Xe 131.290 161.4 81.59 2.978 13.8 165.10 96.1 2.953 0.340 0.158 289.73 5.840 1.110
CH4 16.043 90.694 11.696 0.4515 58.41 111.668 510.83 0.4224 1.816 3.481 2.218 190.56 4.592 0.1627
6-122
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PROPERTIES OF REFRIGERANTS References
This table gives physical properties of compounds that have been used as working fluids in traditional refrigeration systems or are under consideration as replacements in newer systems. Some are also used as solvents and blowing agents. Many of the compounds listed are believed to be less harmful to the environment than the traditional halocarbons refrigerants. Compounds are listed by their ASHRAE standard refrigerant designations (Reference 1), which appear in the first column. These codes are often prefixed by symbols such as CFC– (for chlorofluorocarbon), HCFC– (for hydrochlorofluorocarbon), or simply R– (for refrigerant). The molecular formula and CAS Registry Number are also given. The properties tabulated are: normal melting point in °C normal boiling point in °C (at 101.325 kPa or 760 mmHg) tc critical temperature in °C TLV Threshold Limit Value, which is the maximum safe concentration in air in the workplace, expressed as the time– weighted average (TWA) in parts per million by volume over an 8–hr workday and 40–hr workweek. A value followed by C is an absolute ceiling limit. tm tb
Code 10 11 12 12B1 12B2 13 13B1 14 20 21 22 22B1 23 30 31 32 40 41 50 110 111 112 112a 113 113a 114 114a 114B2 115 116 120 121 121a 122
Name
Tetrachloromethane Trichlorofluoromethane Dichlorodifluoromethane Bromochlorodifluoromethane Dibromodifluoromethane Chlorotrifluoromethane Bromotrifluoromethane Tetrafluoromethane Trichloromethane Dichlorofluoromethane Chlorodifluoromethane Bromodifluoromethane Trifluoromethane Dichloromethane Chlorofluoromethane Difluoromethane Chloromethane Fluoromethane Methane Hexachloroethane Pentachlorofluoroethane 1,1,2,2-Tetrachloro-1,2-difluoroethane 1,1,1,2-Tetrachloro-2,2-difluoroethane 1,1,2-Trichloro-1,2,2-trifluoroethane 1,1,1-Trichloro-2,2,2-trifluoroethane 1,2-Dichloro-1,1,2,2-tetrafluoroethane 1,1-Dichloro-1,2,2,2-tetrafluoroethane 1,2-Dibromotetrafluoroethane Chloropentafluoroethane Hexafluoroethane Pentachloroethane 1,1,2,2-Tetrachloro-1-fluoroethane 1,1,1,2-Tetrachloro-2-fluoroethane 1,2,2-Trichloro-1,1-difluoroethane
1. ASHRAE Standard 34–1997, Number Designation and Safety Classification of Refrigerants. 2. ASHRAE Fundamentals Handbook 2001, Chapter 19. Refrigerants, American Society of Heating, Refrigerating, and Air-Conditioning Engineers, Atlanta, GA, 2001. 3. Platzer, B., Polt, A., and Mauer, G., Thermophysical Properties of Refrigerants, Springer, Berlin, 1990. 4. Sako, T., Sato, M., Nakazawa, N., Oowa, M., Yasumoto, M., Ito, H., and Yamashita, S., J. Chem. Eng. Data, 41, 802, 1996. 5. Schmidt, J. W., Carrillo-Nava, E., and Moldover, M. R., Fluid Phase Equilibria, 122, 187, 1996. 6. Salvi–Narkhede, M., Wang, B.-H., Adcock, J. L., and Van Hook, W. A., J. Chem. Thermodynamics, 24, 1065, 1992. 7. Fialho, P. S., and Nieto de Castro, C. A., Int. J. Thermophys., 21, 385, 2000. 8. Daubert, T. E., Danner, R. P., Sibul, H. M., and Stebbins, C. C., Physical and Thermodynamic Properties of Pure Compounds: Data Compilation, extant 2002 (core with supplements), Taylor & Francis, Bristol, PA.
Further references and additional data on the critical properties may be found in the table “Critical Constants” in this section.
Molecular formula CCl4 CCl3F CCl2F2 CBrClF2 CBr2F2 CClF3 CBrF3 CF4 CHCl3 CHCl2F CHClF2 CHBrF2 CHF3 CH2Cl2 CH2ClF CH2F2 CH3Cl CH3F CH4 C2Cl6 C2Cl5F C2Cl4F2 C2Cl4F2 C2Cl3F3 C2Cl3F3 C2Cl2F4 C2Cl2F4 C2Br2F4 C2ClF5 C2F6 C2HCl5 C2HCl4F C2HCl4F C2HCl3F2
CAS Reg. No. 56–23–5 75–69–4 75–71–8 353–59–3 75–61–6 75–72–9 75–63–8 75–73–0 67–66–3 75–43–4 75–45–6 1511–62–2 75–46–7 75–09–2 593–70–4 75–10–5 74–87–3 593–53–3 74–82–8 67–72–1 354–56–3 76–12–0 76–11–9 76–13–1 354–58–5 76–14–2 374–07–2 124–73–2 76–15–3 76–16–4 76–01–7 354–14–3 354–11–0 354–21–2
tm/°C –22.62 –110.44 –158 –159.5 –110.1 –181 –172 –183.60 –63.41 –135 –157.42 –145 –155.2 –97.2 –135.1 –136.8 –97.7 –141.8 –182.47 186.8 101.3 24.8 41.0 –36.22 14.37 –92.53 –56.6 –110.32 –99.4 –100.05 –28.78 –82.6 –95.3 –140
tb/°C 76.8 23.7 –29.8 –3.7 22.76 –81.4 –57.8 –128.0 61.17 8.9 –40.7 –14.6 –82.1 40 –9.1 –51.6 –24.09 –78.4 –161.48 184.7 sp 138 92.8 92.8 47.7 45.5 3.5 3.4 47.35 –39.1 –78.1 162.0 116.7 117.1 71.9
tc/°C 283.4 197.9 111.80 153.73 198.1 29 67.0 –45.5 263.2 178.43 96.3 138.83 25.83 237 154 78.41 143.10 44.6 –82.59 422 278 214.1 209.7 145.63 145.4 214.6 80.0 20
TLV 5 1000C 1000 100 1000 10 10 1000
50
50 1000 1 500 500 1000 1000
1000
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Properties of Refrigerants
6-122 Code 122a 122b 123 123a 124 124a 125 E125 130 131 132 132b 133 133a 133b 134 134a E134 140 140a 141 141b 142 142b 143 143a 143m E143a 150 150a 151 151a 152 152a 160 161 170 216ca 218 227ca2 227ea 227me 236ea 236fa 236me 245ca 245cb 245fa 245mc 245mf 245qc 254pc 290 C316 C317 C318 347mcc 347mmy 600 600a
Section6.indb 122
Name 1,2,2-Trichloro-1,2-difluoroethane 1,1,1-Trichloro-2,2-difluoroethane 2,2-Dichloro-1,1,1-trifluoroethane 1,2-Dichloro-1,1,2-trifluoroethane 1-Chloro-1,2,2,2-tetrafluoroethane 1-Chloro-1,1,2,2-tetrafluoroethane Pentafluoroethane Trifluoromethyl difluoromethyl ether 1,1,2,2-Tetrachloroethane 1,1,2-Trichloro-2-fluoroethane 1,2-Dichloro-1,2-difluoroethane 1,2-Dichloro-1,1-difluoroethane 1-Chloro-1,2,2-trifluoroethane 2-Chloro-1,1,1-trifluoroethane 1-Chloro-1,1,2-trifluoroethane 1,1,2,2-Tetrafluoroethane 1,1,1,2-Tetrafluoroethane Bis(difluoromethyl) ether 1,1,2-Trichloroethane 1,1,1-Trichloroethane 1,2-Dichloro-1-fluoroethane 1,1-Dichloro-1-fluoroethane 1-Chloro-2,2-difluoroethane 1-Chloro-1,1-difluoroethane 1,1,2-Trifluoroethane 1,1,1-Trifluoroethane Methyl trifluoromethyl ether 2,2,2-Trifluoroethyl methyl ether 1,2-Dichloroethane 1,1-Dichloroethane 1-Chloro-2-fluoroethane 1-Chloro-1-fluoroethane 1,2-Difluoroethane 1,1-Difluoroethane Chloroethane Fluoroethane Ethane 1,3-Dichloro-1,1,2,2,3,3-hexafluoropropane Perfluoropropane Trifluoromethyl 1,1,2,2-tetrafluoroethyl ether 1,1,1,2,3,3,3-Heptafluoropropane Trifluoromethyl 1,2,2,2-tetrafluoroethyl ether 1,1,1,2,3,3-Hexafluoropropane 1,1,1,3,3,3-Hexafluoropropane 1,2,2,2-Tetrafluoroethyl difluoromethyl ether 1,1,2,2,3-Pentafluoropropane 1,1,1,2,2-Pentafluoropropane 1,1,1,3,3-Pentafluoropropane Methyl pentafluoroethyl ether Difluoromethyl 2,2,2-trifluoroethyl ether Difluoromethyl 1,1,2-trifluoroethyl ether Methyl 1,1,2,2-tetrafluoroethyl ether Propane 1,2-Dichloro-1,2,3,3,4,4-hexafluorocyclobutane 1-Chloro-1,2,2,3,3,4,4-heptafluorocyclobutane Perfluorocyclobutane Perfluoropropyl methyl ether Perfluoroisopropyl methyl ether Butane Isobutane
Molecular formula C2HCl3F2 C2HCl3F2 C2HCl2F3 C2HCl2F3 C2HClF4 C2HClF4 C2HF5 C2HF5O C2H2Cl4 C2H2Cl3F C2H2Cl2F2 C2H2Cl2F2 C2H2ClF3 C2H2ClF3 C2H2ClF3 C2H2F4 C2H2F4 C2H2F4O C2H3Cl3 C2H3Cl3 C2H3Cl2F C2H3Cl2F C2H3ClF2 C2H3ClF2 C2H3F3 C2H3F3 C2H3F3O C3H5F3O C2H4Cl2 C2H4Cl2 C2H4ClF C2H4ClF C2H4F2 C2H4F2 C2H5Cl C2H5F C2H6 C3Cl2F6 C3F8 C3HF7O C3HF7 C3HF7O C3H2F6 C3H2F6 C3H2F6O C3H3F5 C3H3F5 C3H3F5 C3H3F5O C3H3F5O C3H3F5O C3H4F4O C3H8 C4Cl2F6 C4ClF7 C4F8 C4H3F7O C4H3F7O C4H10 C4H10
CAS Reg. No. 354–15–4 354–12–1 306–83–2 354–23–4 2837–89–0 354–25–6 354–33–6 3822–68–2 79–34–5 359–28–4 431–06–1 1649–08–7 431–07–2 75–88–7 421–04–5 359–35–3 811–97–2 1691–17–4 79–00–5 71–55–6 430–57–9 1717–00–6 338–65–8 75–68–3 430–66–0 420–46–2 421–14–7 460–43–5 107–06–2 75–34–3 762–50–5 1615–75–4 624–72–6 75–37–6 75–00–3 353–36–6 74–84–0 662–01–1 76–19–7 2356–61–8 431–89–0 2356–62–9 431–63–0 690–39–1 57041–67–5 679–86–7 1814–88–6 460–73–1 22410–44–2 1885–48–9 69948–24–9 425–88–7 74–98–6 356–18–3 377–41–3 115–25–3 375–03–1 22052–84–2 106–97–8 75–28–5
tm/°C –174 –107 –78 –117 –103 –157 –42.4 –101.2 –101.2 –105.5 –89 –103.3 –36.3 –30.01 –60 –103.5 –130.8 –84 –111.3 –149 –35.7 –96.9
–117 –138.4 –143.2 –182.79 –125.4 –147.70 –141 –131
–93.6
–107 –187.63 –24.2 –39.1 –40.19
–138.3 –159.4
tb/°C 72.5 73 27.82 29.5 –12 –11.7 –48.1 –38 145.2 102.4 59.6 46.2 17.3 6.1 12 –19.9 –26.08 2 113.8 74.09 73.8 32.0 35.1 –9.1 3.7 –47.25 –23.66 31.62 83.5 57.3 52.8 16.2 26 –24.05 12.3 –37.7 –88.6 35.7 –36.6 –3 –16.4 –9.6 6.1 –1.0 23.35 25.0 –17.4 15.3 5.59 29.24 43.1 37.1 –42.1 59.5 25 –5.9 34.23 29.34 –0.5 –11.73
tc/°C 183.68 188.4 122.50 126.7 66.02 80.8 388.00
TLV
1
151.86 118.59 101.03 147.10 329 272
10 350
204.1 137.19 156.6 72.71 104.87 175.83 288 250
113.5 187.2 102.16 32.17 180 71.9 114.63 101.74
10 100
100 1000
139.23 124.92 155.80 174.42 106.96 154.05 133.65 170.84
96.68 224 115.31 164.55 160.15 151.97 134.6
1000
1000 1000
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Properties of Refrigerants Code 610 611 717 744 764 1112a 1113 1114 1120 1130 1132a 1140 1141 1150 1270
Section6.indb 123
6-123 Name
Diethyl ether Methyl formate Ammonia Carbon dioxide Sulfur dioxide 1,1-Dichloro-2,2-difluoroethene Chlorotrifluoroethene Tetrafluoroethene Trichloroethene trans-1,2-Dichloroethene 1,1-Difluoroethene Chloroethene Fluoroethene Ethylene Propene
Molecular formula C4H10O C2H4O2 H3N CO2 O2S C2Cl2F2 C2ClF3 C2F4 C2HCl3 C2H2Cl2 C2H2F2 C2H3Cl C2H3F C2H4 C3H6
CAS Reg. No. 60–29–7 107–31–3 7664–41–7 124–38–9 7446–09–5 79–35–6 79–38–9 116–14–3 79–01–6 156–60–5 75–38–7 75–01–4 75–02–5 74–85–1 115–07–1
tm/°C –116.2 –99 –77.73 –56.56 –75.5 –116 –158.2 –131.15 –84.7 –49.8 –144 –153.84 –160.5 –169.15 –185.24
tb/°C 34.5 31.7 –33.33 –78.5 sp –10.05 19 –27.8 –75.9 87.21 48.7 –85.7 –13.8 –72 –103.77 –47.69
tc/°C 193.5 214.0 132.3 30.98 157.6 106 33.3 271.0 243.3 29.7 159 54.7 9.19 91.7
TLV 400 100 25 5000 2
2 50 200 500 1
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DENSITY AND SPECIFIC VOLUME OF MERCURY The data in this table have been adjusted to the ITS–90 temperature scale. The uncertainty in density values is 0.0003 g/mL between –20 and –10°C; 0.0001 or less between –10 and 200°C; and 0.0002 between 200 and 300°C. t/°C –20 –19 –18 –17 –16 –15 –14 –13 –12 –11 –10 –9 –8 –7 –6 –5 –4 –3 –2 –1 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29
ρ/(g/mL) 13.64461 13.64212 13.63964 13.63716 13.63468 13.63220 13.62972 13.62724 13.62476 13.62228 13.61981 13.61733 13.61485 13.61238 13.60991 13.60743 13.60496 13.60249 13.60002 13.59755 13.59508 13.59261 13.59014 13.58768 13.58521 13.58275 13.58028 13.57782 13.57535 13.57289 13.57043 13.56797 13.56551 13.56305 13.56059 13.55813 13.55567 13.55322 13.55076 13.54831 13.54585 13.54340 13.54094 13.53849 13.53604 13.53359 13.53114 13.52869 13.52624 13.52379
v/(mL/kg) 73.2890 73.3024 73.3157 73.3291 73.3424 73.3558 73.3691 73.3824 73.3958 73.4091 73.4225 73.4358 73.4492 73.4625 73.4759 73.4892 73.5026 73.5160 73.5293 73.5427 73.5560 73.5694 73.5827 73.5961 73.6095 73.6228 73.6362 73.6495 73.6629 73.6763 73.6896 73.7030 73.7164 73.7297 73.7431 73.7565 73.7698 73.7832 73.7966 73.8100 73.8233 73.8367 73.8501 73.8635 73.8769 73.8902 73.9036 73.9170 73.9304 73.9438
t/°C 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79
ρ/(g/mL) 13.52134 13.51889 13.51645 13.51400 13.51156 13.50911 13.50667 13.50422 13.50178 13.49934 13.49690 13.49446 13.49202 13.48958 13.48714 13.48470 13.48226 13.47982 13.47739 13.47495 13.47251 13.47008 13.46765 13.46521 13.46278 13.46035 13.45791 13.45548 13.45305 13.45062 13.44819 13.44576 13.44333 13.44090 13.43848 13.43605 13.43362 13.43120 13.42877 13.42635 13.42392 13.42150 13.41908 13.41665 13.41423 13.41181 13.40939 13.40697 13.40455 13.40213
Reference Ambrose, D., Metrologia, 27, 245, 1990. v/(mL/kg) 73.9572 73.9705 73.9839 73.9973 74.0107 74.0241 74.0375 74.0509 74.0643 74.0777 74.0911 74.1045 74.1179 74.1313 74.1447 74.1581 74.1715 74.1850 74.1984 74.2118 74.2252 74.2386 74.2520 74.2655 74.2789 74.2923 74.3057 74.3192 74.3326 74.3460 74.3594 74.3729 74.3863 74.3998 74.4132 74.4266 74.4401 74.4535 74.4670 74.4804 74.4939 74.5073 74.5208 74.5342 74.5477 74.5612 74.5746 74.5881 74.6016 74.6150
t/°C 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300
ρ/(g/mL) 13.39971 13.39729 13.39487 13.39245 13.39003 13.38762 13.38520 13.38278 13.38037 13.37795 13.37554 13.37313 13.37071 13.36830 13.36589 13.36347 13.36106 13.35865 13.35624 13.35383 13.35142 13.3273 13.3033 13.2793 13.2553 13.2314 13.2075 13.1836 13.1597 13.1359 13.1120 13.0882 13.0644 13.0406 13.0167 12.9929 12.9691 12.9453 12.9214 12.8975 12.8736
v/(mL/kg) 74.6285 74.6420 74.6554 74.6689 74.6824 74.6959 74.7094 74.7229 74.7364 74.7498 74.7633 74.7768 74.7903 74.8038 74.8173 74.8308 74.8443 74.8579 74.8714 74.8849 74.8984 75.0337 75.1693 75.3052 75.4413 75.5778 75.7147 75.8519 75.9895 76.1274 76.2659 76.4047 76.5440 76.6838 76.8241 76.9650 77.1064 77.2484 77.3909 77.5341 77.6779
6-124
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Thermal Properties of Mercury Lev R. Fokin The first of these tables gives the molar heat capacity at constant pressure of liquid and gaseous mercury as a function of temperature. To convert to specific heat in units of J/g K, divide these values by 200.59, the atomic weight of mercury. t/°C –38.84 –20 0 20 25 40 60 80 100 120
Cp/(J/mol K)
Liquid 28.2746 28.1466 28.0190 27.9002 27.8717 27.7897 27.6880 27.5952 27.5106 27.4349
Gas 20.786 20.786 20.786 20.786 20.786 20.786 20.786 20.786 20.786 20.786
t/°C 140 160 180 200 220 240 260 280 300 320
Liquid 27.3675 27.3090 27.2588 27.2169 27.1834 27.1583 27.1412 27.1320 27.1303 27.1366
The second table gives the molar heat capacity of solid mercury in its rhombohedral (α–mercury) form.
Cp/(J/mol K) 0.99* 0.97** 1.6 4.6 7.6 10.33
t/°C –268.99 –268.99 –268.15 –263.15 –258.15 –253.15
t/°C –248.15 –243.15 –233.15 –223.15 –213.15 –203.15
Cp/(J/mol K) 12.74 14.78 17.90 19.94 21.40 22.42
The final table gives the cubic thermal expansion coefficient α, the isothermal compressibility coefficient κT , and the speed of sound U for liquid mercury as a function of temperature. These properties are defined as follows: 1 ∂v α= v ∂T p
t/°C –20 0 20 40 60 80 100
1 ∂v κT = − v ∂P T
α × 10 /K 1.818 1.8144 1.8110 1.8083 1.8064 1.8053 1.8051 4
–1
∂P U2 = ∂ρ s
κT × 106/bar–1 At 1 bar At 1000 bar 3.83 3.918 3.78 4.013 3.87 4.109 3.96 4.207 4.308 4.14 4.410
ρ = v −1
U/m s 1470 1460.8 1451.4 1442.0 1432.7 1423.4 1414.1
–1
Reference Douglas, T. B., Ball, A. T., and Ginnings, D. C., J. Res. Natl. Bur. Stands., 46, 334, 1951. Cp/(J/mol K) Gas 20.786 20.786 20.790 20.790 20.794 20.794 20.799 20.807 20.815 20.824
t/°C 340 356.73 360 380 400 420 440 460 480 500
Liquid 27.1500 27.1677 27.1709 27.1981 27.2324 27.2738 27.3207 27.3742 27.4332 27.4985
Cp/(J/mol K) Gas 20.836 20.849 20.853 20.870 20.891 20.916 20.941 20.974 21.008 21.046
References 1. Busey and Giaque, J. Am. Chem. Soc., 75, 806, 1953. 2. Amitin, Lebedeva, and Paukov, Rus. J. Phys. Chem., 2666, 1979. t/°C –193.15 –183.15 –173.15 –153.15 –133.15 –113.15
Cp/(J/mol K) 23.16 23.76 24.24 25.00 25.61 26.15
t/°C –93.15 –73.15 –53.15 –38.87
Cp/(J/mol K) 26.69 27.28 27.96 28.5
* Superconducting state ** Normal state
where v is the specific volume (given in the table on the preceding page).
Reference Vukalovich, M. P., et al., Thermophysical Properties of Mercury, Moscow Standard Press, 1971.
t/°C 120 140 160 180 200 250 300
α × 10 /K 1.8058 1.8074 1.8100 1.8136 1.818 1.834 1.856 4
–1
κT × 106/bar–1 At 1 bar At 1000 bar 4.513 4.33 4.622 4.731 4.53 4.844 4.96 5.26 5.59
U/m s–1 1404.7 1395.4 1386.1 1376.7 1367 1344 1321
6-128
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SURFACE TENSION OF COMMON LIQUIDS The surface tension γ of about 200 liquids is tabulated here as a function of temperature. Values of γ are given in units of millinewtons per meter (mN/m), which is equivalent to dyn/cm in cgs units. The values refer to a nominal pressure of one atmosphere (about 100 kPa) except in cases where the indicated temperature is above the normal boiling point of the substance; in those cases, the applicable pressure is the saturation vapor pressure at the temperature in question. The uncertainty of the values is 0.1 to 0.2 mN/m or less in most cases. Values at temperatures between the points tabulated can be obtained by linear interpolation to a good approximation. Mol. formula Br2 Cl2O2S Cl3OP Cl3P Cl4Si H2O H4N2 Hg CCl4 CS2 CHBr3 CHCl3 CH2Br2 CH2Cl2 CH2O2 CH3I CH3NO CH3NO2 CH4O CH5N C2HCl5 C2HF3O2 C2H2Cl4 C2H3Cl3 C2H3Cl3 C2H3N C2H4Br2 C2H4Cl2 C2H4Cl2 C2H4O C2H4O2 C2H4O2 C2H5Br C2H5I C2H5NO2 C2H6O C2H6OS C2H6O2 C2H6S C2H6S C2H6S2 C2H7N C2H7N C2H7NO C3H5Br
Name
Bromine Sulfuryl chloride Phosphoryl chloride Phosphorus trichloride Silicon tetrachloride Water Hydrazine Mercury Tetrachloromethane Carbon disulfide Tribromomethane Trichloromethane Dibromomethane Dichloromethane Formic acid Iodomethane Formamide Nitromethane Methanol Methylamine Pentachloroethane Trifluoroacetic acid 1,1,2,2-Tetrachloroethane 1,1,1-Trichloroethane 1,1,2-Trichloroethane Acetonitrile 1,2-Dibromoethane 1,1-Dichloroethane 1,2-Dichloroethane Acetaldehyde Acetic acid Methyl formate Bromoethane Iodoethane Nitroethane Ethanol Dimethyl sulfoxide Ethylene glycol Dimethyl sulfide Ethanethiol Dimethyl disulfide Dimethylamine Ethylamine Ethanolamine 3-Bromopropene
10°C 43.68
19.78 74.23 488.55 33.81
32.19 39.04 23.23
22.54 26.72 25.36 30.38 34.02 23.22
25.27
Substances are listed by molecular formula in the modified Hill order, with substances not containing carbon appearing before those that do contain carbon. A more extensive compilation of surface tension may be found in Reference 1.
References 1. Jasper, J. J., J. Phys. Chem. Ref. Data, 1, 841, 1972. 2. Kahl, H., Wadewitz, T., and Winkelmann, J., J. Chem. Eng. Data, 48, 580, 2003.
25°C 40.95 28.78 32.03 27.98 18.29 71.99 66.39 485.48 26.43 31.58 44.87 26.67 39.05 27.20 37.13 30.34 57.03 36.53 22.07 19.15 34.15 13.53 35.58 25.18 34.02 28.66 39.55 24.07 31.86 20.50 27.10 24.36 23.62 28.46 32.13 21.97 42.92 47.99 24.06 23.08 33.39 26.34 19.20 48.32 26.31
γ in mN/m 50°C 36.40
75°C
100°C
28.85 24.81 15.80 67.94
25.66
63.57
58.91
480.36 23.37 27.87 41.60 23.44 35.33
475.23 20.31
470.11 17.25
34.38
31.64
54.92 32.33 20.14
52.82
31.20 11.42 32.41 22.07 30.65 25.51 36.25
28.26
28.29 17.10 24.61 20.43
24.72
25.24 29.00 19.89 40.06 45.76
38.33 20.20 31.61
50.71
29.24
26.07
27.27
23.89
32.95
22.13 16.50
12.57
43.54
41.31
30.04
45.53 23.17
42.73
6-127
Section6.indb 127
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Surface Tension of Common Liquids
6-128 Mol. formula C3H5Cl C3H5ClO C3H5N C3H6Cl2 C3H6O C3H6O C3H6O2 C3H6O2 C3H6O2 C3H7Br C3H7Br C3H7Cl C3H7Cl C3H7NO C3H7NO2 C3H8O C3H8O C3H8O2 C3H8S C3H8S C3H9N C3H9N C4H4N2 C4H4N2 C4H4S C4H5N C4H6O3 C4H7N C4H8O C4H8O2 C4H8O2 C4H8O2 C4H8O2 C4H9Br C4H9Cl C4H9I C4H9N C4H10O C4H10O C4H10O C4H10O C4H10O2 C4H10O3 C4H10S C4H11N C4H11N C4H11N C4H11N C5H4O2 C5H5N C5H8 C5H8O C5H9NO C5H10 C5H10 C5H10 C5H10O C5H10O C5H10O C5H10O2
Section6.indb 128
Name 3-Chloropropene Epichlorohydrin Propanenitrile 1,2-Dichloropropane Acetone Allyl alcohol Ethyl formate Methyl acetate Propanoic acid 1-Bromopropane 2-Bromopropane 1-Chloropropane 2-Chloropropane N,N-Dimethylformamide 2-Nitropropane 1-Propanol 2-Propanol 2-Methoxyethanol 1-Propanethiol 2-Propanethiol Propylamine Trimethylamine Pyridazine Pyrimidine Thiophene Pyrrole Acetic anhydride Butanenitrile 2-Butanone 1,4-Dioxane Ethyl acetate Methyl propanoate Butanoic acid 1-Bromobutane 1-Chlorobutane 1-Iodobutane Pyrrolidine 1-Butanol 2-Butanol 2-Methyl-2-propanol Diethyl ether 2-Ethoxyethanol Diethylene glycol Diethyl sulfide Butylamine Isobutylamine tert-Butylamine Diethylamine Furfural Pyridine Cyclopentene Cyclopentanone N-Methyl-2-pyrrolidinone 1-Pentene 2-Methyl-2-butene Cyclopentane 2-Pentanone 3-Pentanone Pentanal Butyl formate
10°C 38.40
24.57 26.63 25.16 26.66 27.08 25.03 23.16 20.49 37.56 31.02 24.48 22.11 32.32
49.51
38.71 34.08
25.13 26.32 27.58 24.85 29.79 30.58 26.28 23.74
26.22
45.08 24.45 34.45 41.94 17.10 18.61 24.07
26.95 26.05
25°C 23.14 36.36 26.75 28.32 22.72 25.28 23.18 24.73 26.20 25.26 23.25 21.30 19.16 35.74 29.29 23.32 20.93 30.84 24.20 21.33 21.75 13.41 47.96 30.33 30.68 37.06 31.93 26.92 23.97 32.75 23.39 24.44 26.05 25.90 23.18 28.24 29.23 24.93 22.54 19.96 16.65 28.35 44.77 24.57 23.44 21.75 16.87 19.85 43.09 36.56 22.20 32.80 40.21 15.45 17.15 21.88 23.25 24.74 25.44 24.52
γ in mN/m 50°C 32.96 23.87 25.22 19.65 23.02 21.51 23.72 22.21 20.30
75°C 29.56
100°C 26.16
22.12 20.77
21.23
32.70 26.39 21.38 18.96 28.38 21.02 18.39
29.66
26.62
19.43 16.98 25.92
23.46
45.37 27.80 27.36 34.31 28.34 24.33 21.16 29.28 20.49 21.29 23.75 23.08 20.39 25.67 26.98 22.69 20.56 17.71
42.78 25.28
40.19 22.75
24.75 21.73
21.16
25.80 17.58
22.32 14.68
21.45 20.27
17.45
23.09
20.51
20.44 18.57
18.20 16.58
26.11 42.57 21.80 20.63 19.02
23.86 40.37
21.62 38.17
39.78 33.29
36.46 30.03
33.14
30.05 37.33
27.30 34.45
24.55 31.57
18.22 21.62 22.13 22.91 21.95
19.39
16.82
4/29/05 4:19:27 PM
Surface Tension of Common Liquids Mol. formula C5H10O2 C5H10O2 C5H10O2 C5H10O2 C5H11Cl C5H11N C5H12 C5H12O C5H12O C5H12O C5H13N C6H4Cl2 C6H5Br C6H5Cl C6H5ClO C6H5ClO C6H5F C6H5I C6H5NO2 C6H6 C6H6O C6H7N C6H7N C6H8N2 C6H10 C6H10O C6H11N C6H12 C6H12 C6H12 C6H12O C6H12O C6H12O2 C6H12O2 C6H12O2 C6H12O3 C6H13Cl C6H13N C6H14 C6H14 C6H14 C6H14O C6H14O C6H14O2 C6H14O2 C6H15N C6H15N C6H15N C7H5N C7H6O C7H8 C7H8O C7H8O C7H8O C7H8O C7H9N C7H9N C7H9N C7H14 C7H14
Section6.indb 129
Name Propyl acetate Isopropyl acetate Ethyl propanoate Methyl butanoate 1-Chloropentane Piperidine Pentane 1-Pentanol 2-Pentanol 3-Methyl-1-butanol Pentylamine m-Dichlorobenzene Bromobenzene Chlorobenzene o-Chlorophenol m-Chlorophenol Fluorobenzene Iodobenzene Nitrobenzene Benzene Phenol Aniline 2-Methylpyridine Adiponitrile Cyclohexene Cyclohexanone Hexanenitrile Cyclohexane Methylcyclopentane 1-Hexene Cyclohexanol 2-Hexanone Butyl acetate Isobutyl acetate Ethyl butanoate Paraldehyde 1-Chlorohexane Cyclohexylamine Hexane 2-Methylpentane 3-Methylpentane Diisopropyl ether 1-Hexanol 1,1-Diethoxyethane 2-Butoxyethanol Triethylamine Dipropylamine Diisopropylamine Benzonitrile Benzaldehyde Toluene o-Cresol m-Cresol Benzyl alcohol Anisole N-Methylaniline 2,3-Dimethylpyridine Benzylamine Methylcyclohexane 1-Heptene
6-129 10°C 25.48 23.37 25.55 26.34 26.01 30.64 17.15 26.67 24.96 24.94 37.15 36.98 34.78
28.47 40.40
25°C 23.80 21.76 23.80 24.62 24.40 28.91 15.49 25.36 23.45 23.71 24.69 35.43 35.24 32.99 39.70 41.18 26.66 38.71
42.12 33.00 45.45 26.17 34.57 27.37 24.16 21.72 17.90 32.92 25.45 24.88 23.06 23.94 25.63 25.73 31.22 17.89 16.88 17.61 17.27 25.81 20.89 26.14 20.22 22.31 19.14 38.79 38.00 27.73 36.90 35.69
23.17 20.94 21.66 22.14 32.57 32.34 30.02 36.89 38.66 23.65 35.91 40.56 25.00 38.20 39.41 29.90 43.02 23.12 31.46 25.11 21.26 18.82 15.33 30.50 22.72 22.21 20.53 21.33 22.97 23.13 28.25 15.33 14.39 14.96 14.65 23.81 18.31 24.10 17.74 19.75 16.45 35.90 35.27 24.85 34.38 33.38
35.10 36.90 32.71 39.30 23.29 19.80
32.09 34.47 30.04 36.27 20.46 17.33
28.22
28.01 36.43 25.91 23.47 19.44
26.48 24.58 25.51 27.22 27.28 19.42 18.37 19.20
27.36
39.63 29.46
24.98 21.29
γ in mN/m 50°C 21.00 19.08 20.88 21.76 21.71 26.03
75°C 18.20 16.40 17.96 18.89 19.02 23.14
100°C 15.40
16.03 16.33 20.26
20.99 18.43 19.61 19.58 29.70 29.44 27.04 34.09 36.13 20.64 33.10 37.66 21.77 35.53 36.69 26.79 40.58
18.80 15.92 17.56
28.36 22.84 15.44
25.25
28.09
25.67
19.54 17.99 18.71 20.32 20.54 25.28
16.87 15.46 16.10 17.66 17.94
21.80 15.74 22.06
19.80
26.83 26.54 24.06 31.28 33.61 30.29 34.77 32.86
20.02
17.20 33.00 32.55 21.98 31.85 31.07 27.89 29.08 32.05 27.36 33.23
29.82 19.10 29.32 28.76 24.44
14.85
4/29/05 4:19:28 PM
Surface Tension of Common Liquids
6-130 Mol. formula C7H14O C7H14O2 C7H14O2 C7H16 C7H16 C8H8O C8H8O2 C8H8O3 C8H10 C8H10 C8H10 C8H10 C8H10O C8H11N C8H11N C8H16 C8H18 C8H18 C8H18O C8H19N C8H19N C9H7N C9H12 C9H12 C9H12 C9H18O C9H20 C9H20O C10H12 C10H22 C10H22O C11H24 C12H10O C12H27N C13H28 C14H12O2 C14H30 C16H34 C18H38
Section6.indb 130
Name
2-Heptanone Pentyl acetate Heptanoic acid Heptane 3-Methylhexane Acetophenone Methyl benzoate Methyl salicylate Ethylbenzene o-Xylene m-Xylene p-Xylene Phenetole N,N-Dimethylaniline N-Ethylaniline Ethylcyclohexane Octane 2,5-Dimethylhexane 1-Octanol Dibutylamine Diisobutylamine Quinoline Cumene 1,2,4-Trimethylbenzene Mesitylene 5-Nonanone Nonane 1-Nonanol 1,2,3,4-Tetrahydronaphthalene Decane 1-Decanol Undecane Diphenyl ether Tributylamine Tridecane Benzyl benzoate Tetradecane Hexadecane Octadecane
10°C 26.67 21.14 20.76
40.98 30.39 31.41 30.13
26.73 22.57 20.77 28.30
44.19 29.27 30.74 28.89 23.79 29.03 24.75 29.61 25.56
26.86 44.47 27.43
25°C 26.12 25.17 27.76 19.66 19.31 39.04 37.17 39.22 28.75 29.76 28.47 28.01 32.41 35.52 36.33 25.15 21.14 19.40 27.10 24.12 21.72 42.59 27.69 29.20 27.55 26.28 22.38 27.89 33.17 23.37 28.51 24.21 26.75 24.39 25.55 42.82 26.13 27.05 27.87
γ in mN/m 50°C 23.48 22.69 25.64 17.19 16.88 36.15 34.25 36.28 26.01 27.01 25.71 25.32 29.65 32.90 33.65 22.51 18.77 17.12 25.12 21.74 19.44 39.94 25.05 26.64 25.31 23.85 20.05 26.00 30.78 21.07 26.68 21.96 24.80 22.32 23.37 40.06 23.96 24.91 25.77
75°C 20.20 14.73 14.46 33.27 31.32 33.35 23.28 24.25 22.95 22.64 26.89 30.27 30.98
100°C 17.72
30.41 20.54 21.50 20.19 19.95
16.39 14.84
14.01 12.56
19.36 17.16 37.28 22.42 24.07 23.07
34.62 19.78 21.51 20.82
17.71 24.10 28.40 18.77 24.85 19.70
15.37 22.20 16.47 23.02 17.45
20.24 21.19 37.31 21.78 22.78 23.66
19.01 34.55 19.61 20.64 21.55
4/29/05 4:19:29 PM
Permittivity (Dielectric Constant) of Liquids Christian Wohlfarth The permittivity of a substance (often called the dielectric constant) is the ratio of the electric displacement D to the electric field strength E when an external field is applied to the substance. The quantity tabulated here is the relative permittivity, which is the ratio of the actual permittivity to the permittivity of a vacuum; it is a dimensionless number. The table gives the static relative permittivity εr, i.e., the relative permittivity measured in static fields or at low frequencies where no relaxation effects occur. The fourth column of the table lists the value of εr at the temperature specified in the third column, usually 293.15 or 298.15 K. Otherwise, the temperature closest to 293.15 K was chosen, or (as it is the case for many of the substances included here) εr is given at the only temperature for which data are available. The static permittivity refers to nominal atmospheric pressure as long as the corresponding temperature is below the normal boiling point. Otherwise, at temperatures above the normal boiling point, the pressure is understood to be the saturated vapor pressure of the substance considered. For substances where information on the temperature dependence of the permittivity is available, the table gives the coefficients of a simple polynomial fitting of permittivity to temperature with an equation of the form
calculate dielectric constants within the fitted temperature range but should not be used for extrapolation outside this range. The user who needs dielectric constant data with more accuracy than can be provided by this equation is referred to Reference 1, which gives the original data together with their literature source. Substances are listed by molecular formula in modified Hill order, with substances not containing carbon preceding those that do contain carbon. * Indicates that the isomer was not specified in the original reference. ** Indicates a compound for which the cubic term is needed:
εr(T) = a + bT + cT 2 + dT 3
1. Wohlfarth, Ch., Static Dielectric Constants of Pure Liquids and Binary Liquid Mixtures, Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, New Series, Editor in Chief, O. Madelung, Group IV, Macroscopic and Technical Properties of Matter, Volume 6, Springer-Verlag, Berlin, 1991. 2. Marsh, K. N., Ed., Recommended Reference Materials for the Realization of Physicochemical Properties, Blackwell Scientific Publications, Oxford, 1987.
where T is the absolute temperature in K. Since the parameter d was used in only a few cases where the quadratic fit was not satisfactory, only a, b, and c are listed as columns in the table, while the d values are given at the end of this introduction. For all other substances, d = 0. The temperature range of the fit is given in the last column. The coefficients of the fitting equation can be used to Mol. form. AlBr3 Ar AsH3 BBr3 B2H6 B5H9 BrF3 BrF5 BrH BrNO Br2 Br2OS Br3OV Br4Ge Br4Sn ClFO3 ClF3 ClF5 ClH ClNO Cl2 Cl2F3P Cl2OS Cl2OSe Cl2O2S
6-148
Name Aluminum tribromide Argon Arsine Boron tribromide Diborane Pentaborane(9) Bromine trifluoride Bromine pentafluoride Hydrogen bromide Nitrosyl bromide Bromine Thionyl bromide Vanadyl tribromide Germanium(IV) bromide Tin(IV) bromide Perchloryl fluoride Chlorine trifluoride Chlorine pentafluoride Hydrogen chloride Nitrosyl chloride Chlorine Phosphorus(V) dichloride trifluoride Thionyl chloride Selenium oxychloride Sulfuryl chloride
T/K 373.2 140.00 200.9 273.2 180.66 298.2 298.2 297.7 186.8 288.4 297.9 293.2 298.2 299.9 303.45 150.2 293.2 193.2 158.9 285.2 208.0 228.63 298.2 293.2 293.2
εr 3.38 1.3247 2.40 2.58 1.8725 21.1 106.8 7.91 8.23 13.4 3.1484 9.06 3.6 2.955 3.169 2.194 4.394 4.28 14.3 18.2 2.147 2.8129 8.675 46.2 9.1
Ethanol N-Methylacetamide 1,2-Propylene glycol 1-Butanol 2-Butanol 2-Methyl-1-propanol 2-Methyl-2-propanol N-Butylacetamide
d = –0.15512E-05 d = –0.12998E-04 d = –0.32544E-05 d = –0.48841E-06 d = –0.89512E-06 d = –0.45229E-06 d = –0.25968E-05 d = –0.48716E-05
References
a
b
c
Range/K
0.12408E+01 0.37674E+01
0.68755E-02 –0.97454E-02
–0.45344E-04 0.14537E-04
87-149 157-201
0.23848E+01 0.40952E+03
–0.29501E–02 –0.24414E+01
0.64189E-06 0.38225E-02
108-181 226-298
0.11428E+02
–0.11822E-01
262-298
0.32701E+01
–0.12535E-03
273-327
0.61112E+01 0.34450E+01 0.50001E+01 0.23808E+01 0.96716E+01 0.78192E+01 0.47316E+02
–0.84211E-02 –0.16083E-02 –0.60383E-02 –0.38629E-03 –0.18000E-01 –0.20860E-01 –0.28455E+00
203-298 300-316 304-316 125-150 273-313 193-256 159-258
0.29440E+01 0.46501E+01
–0.44649E-02 –0.80358E-02
–0.57143E-05 0.13132E-04 0.48650E-03 0.30388E-05
208-240 172-229
Permittivity (Dielectric Constant) of Liquids Mol. form. Cl2S Cl2S2 Cl3F2P Cl3OP Cl3OV Cl3P Cl3PS Cl4FP Cl4Ge Cl4Pb Cl4Si Cl4Sn Cl4Ti Cl4V Cl5P Cl5Sb FH F2 F5I F6S F6Xe F7I F10S2 HI H2 H2O H2O2 H2S H3N H4N2 He I2 Kr Mn2O7 NO N2 N2O3 N2O4 Ne O2 O2S O3 O3S P S Se Xe CBrClF2 CBrCl3 CBrF3 CBr2Cl2 CBr2F2 CBr3Cl CBr3F CBr3NO2 CClF3 CCl2F2 CCl2O CCl3D CCl3F CCl3NO2 CCl4 CF4
Name Sulfur dichloride Sulfur chloride Phosphorus(V) trichloride difluoride Phosphorus(V) oxychloride Vanadyl trichloride Phosphorus(III) chloride Phosphorus(V) sulfide trichloride Phosphorus(V) tetrachloride fluoride Germanium(IV) chloride Lead(IV) chloride Tetrachlorosilane Tin(IV) chloride Titanium(IV) chloride Vanadium(IV) chloride Phosphorus(V) chloride Antimony(V) chloride Hydrogen fluoride Fluorine Iodine pentafluoride Sulfur hexafluoride Xenon hexafluoride Iodine heptafluoride Sulfur decafluoride Hydrogen iodide Hydrogen Water Hydrogen peroxide Hydrogen sulfide Ammonia Hydrazine Helium Iodine Krypton Manganese(VII) oxide Nitric oxide Nitrogen Nitrogen trioxide Nitrogen tetroxide Neon Oxygen Sulfur dioxide Ozone Sulfur trioxide Phosphorus Sulfur Selenium Xenon Bromochlorodifluoromethane Bromotrichloromethane Bromotrifluoromethane Dibromodichloromethane Dibromodifluoromethane Tribromochloromethane Tribromofluoromethane Tribromonitromethane Chlorotrifluoromethane Dichlorodifluoromethane Carbonyl chloride Trichloromethane-d Trichlorofluoromethane Trichloronitromethane Tetrachloromethane Tetrafluoromethane
T/K 298.2 288.2 268.0 293.2 298.2 290.2 298.2 272.64 273.2 293.2 273.2 273.2 257.4 298.2 433.2 293.0 273.2 53.48 293.2 223.2 328.2 298.2 293.2 220.2 13.52 293.2 290.2 283.2 293.2 298.2 2.055 391.25 119.80 293.2 1.997 63.15 203.2 293.2 26.11 54.478 298.2 90.2 291.2 307.2 407.2 510.65 161.35 123.2 293.2 123.2 298.2 273.2 333.2 293.2 298.2 123.2 123.2 295.2 298.2 293.2 293.2 293.2 126.3
6-149 εr 2.915 4.79 2.3752 14.1 3.4 3.498 4.94 2.6499 2.463 2.78 2.248 3.014 2.843 3.05 2.85 3.222 83.6 1.4913 37.13 1.81 4.10 1.75 2.0202 3.87 1.2792 80.100 74.6 5.93 16.61 51.7 1.0555 11.08 1.664 3.28 1.4680 31.13 2.44 1.1907 1.5684 16.3 4.75 3.11 4.096 3.4991 5.44 1.880 3.920 2.405 3.730 2.542 2.939 2.601 3.00 9.034 3.010 3.500 4.30 4.67 3.00 7.319 2.2379 1.685
a
b
c
0.28905E+01
–0.19228E-02
215-268
0.59098E+01
–0.83322E-02
290-333
0.33503E+01 –0.55078E+01
–0.29651E-02 0.64881E-01
0.58041E+01 0.43951E+01 0.33668E+01
–0.27129E-01 –0.48805E-02 –0.19675E-02
0.45413E+01 0.50352E+03 0.14144E+01 0.95184E+02
–0.45078E-02 –0.19297E+01 0.26387E-02 –0.19800E+00
0.51557E+03 0.13327E+01 0.24921E+03 0.48511E+03 0.14736E+02 0.66756E+02 0.22061E+03 0.10640E+01 0.64730E+02
–0.44552E+01 –0.51946E-02 –0.79069E+00 –0.23145E+01 –0.33675E-01 –0.24696E+00 –0.89633E+00 –0.35584E-02 –0.29266E+00
0.37655E+01
–0.16463E-02
0.12550E+01 0.92287E+02 0.28212E+01 0.12667E+01 0.15434E+01 0.52045E+02 0.86344E+01
0.67949E-02 –0.43306E+00 –0.13000E-02 –0.29064E-02 0.14615E-02 –0.16125E+00 –0.54807E-01
0.79018E+00 0.51651E+01 0.67569E+01
0.23911E-01 –0.77381E-02 –0.25829E-02
0.52442E+01 0.29249E+01 0.54154E+01 0.32330E+01 0.67296E+01
–0.11000E-01 –0.17650E-02 –0.13680E-01 –0.23162E-02 –0.22133E-01
0.53203E+01 0.16079E+02 0.43677E+01 0.46984E+01
–0.11061E-01 –0.23630E-01 –0.11020E-01 –0.97600E-02
0.10688E-04
206-323 298-328 123-173 123-223
0.53203E+01 0.14403E+02 0.28280E+01 0.20350E+01
–0.11061E-01 –0.24178E-01 –0.20339E-02 –0.27616E-02
0.10688E-04
206-323 276-333 283-333 126-142
–0.13091E-03 0.51678E-04
0.14372E-02 –0.28356E-04
0.96795E-02 0.72997E-03 0.31020E-02 0.96740E-05 0.25913E-03 0.11066E-02 0.39759E-03
Range/K
244-273 246-273 207-273 234-273 237-257 276-320 200-273 54-144 273-313
220-236 14-19 273-372 233-303 212-363 238-323 278-323 2-4 391-441 283-312
–0.56704E-04 0.65000E-03 –0.21964E-04 0.11042E-03 0.12596E-03 –0.42826E-04 0.89120E-05
0.30213E-04
0.71795E-07
63-126 203-243 253-293 26-29 55-154 213-449 90-185 307-358 407-479 511-575 123-223 273-333 123-173 298-333 139-273
Permittivity (Dielectric Constant) of Liquids
6-150 Mol. form. CHBr3 CHCl3 CHF3 CHN CH2Br2 CH2Cl2 CH2F2 CH2I2 CH2O2 CH3Br CH3Cl CH3ClO2S CH3DO CH3F CH3I CH3NO CH3NO2 CH3NO2 CH3NO3 CH4 CH4O CH5N CN4O8 COS COSe CO2 CS2 C2Br2F4 C2Cl2F4 C2Cl2O2 C2Cl3N C2Cl4 C2Cl4F2 C2HBr3O C2HCl3 C2HCl3F2 C2HCl3O C2HCl3O2 C2HCl5 C2HF3O2 C2H2 C2H2Br2 C2H2Br2 C2H2Br4 C2H2Cl2 C2H2Cl2 C2H2Cl2 C2H2Cl2O2 C2H2Cl4 C2H2Cl4 C2H2I2 C2H3ClO C2H3ClO2 C2H3Cl2NO2 C2H3Cl3 C2H3Cl3 C2H3F3O C2H3N C2H3NO C2H4 C2H4BrCl C2H4Br2 C2H4Cl2
Name Tribromomethane Trichloromethane Trifluoromethane Hydrogen cyanide Dibromomethane Dichloromethane Difluoromethane Diiodomethane Formic acid Bromomethane Chloromethane Methanesulfonyl chloride Methan-d1-ol Fluoromethane Iodomethane Formamide Nitromethane Methyl nitrite Methyl nitrate Methane Methanol Methylamine Tetranitromethane Carbon oxysulfide Carbon oxyselenide Carbon dioxide Carbon disulfide 1,2-Dibromotetrafluoroethane 1,2-Dichlorotetrafluoroethane Oxalyl chloride Trichloroacetonitrile Tetrachloroethylene 1,1,2,2-Tetrachloro-1,2-difluoroethane Tribromoacetaldehyde Trichloroethylene 1,2,2-Trichloro-1,1-difluoroethane Trichloroacetaldehyde Trichloroacetic acid Pentachloroethane Trifluoroacetic acid Acetylene cis-1,2-Dibromoethylene trans-1,2-Dibromoethylene 1,1,2,2-Tetrabromoethane 1,1-Dichloroethylene cis-1,2-Dichloroethylene trans-1,2-Dichloroethylene Dichloroacetic acid 1,1,1,2-Tetrachloroethane 1,1,2,2-Tetrachloroethane cis-1,2-Diiodoethylene Acetyl chloride Chloroacetic acid 1,1-Dichloro-1-nitroethane 1,1,1-Trichloroethane 1,1,2-Trichloroethane 2,2,2-Trifluoroethanol Acetonitrile Methyl isocyanate Ethylene 1-Bromo-2-chloroethane 1,2-Dibromoethane 1,1-Dichloroethane
T/K 283.2 293.2 294.0 293.2 283.2 298.0 152.2 298.2 298.2 275.7 295.2 293.2 297.5 131.0 293.2 293.2 293.2 200.0 293.2 91.0 293.2 215.2 293.2 185.0 283.2 295.0 293.2 298.2 273.2 294.35 292.2 303.2 308.2 293.2 301.5 303.2 298.2 333.2 298.2 293.2 195.0 298.2 298.2 303.2 293.2 298.2 293.2 293.2 207.2 293.2 345.65 295.2 338.2 303.2 293.2 298.2 293.2 293.2 288.7 270.0 283.2 293.2 298.2
εr 4.404 4.8069 5.2 114.9 7.77 8.93 53.74 5.32 51.1 9.71 10.0 34.0 31.68 51.0 6.97 111.0 37.27 20.77 23.9 1.6761 33.0 16.7 2.317 4.47 3.47 1.4492 2.6320 2.34 2.4842 3.470 7.85 2.268 2.52 7.6 3.390 4.01 6.8 4.34 3.716 8.42 2.4841 7.08 2.88 6.72 4.60 9.20 2.14 8.33 9.22 8.50 4.46 15.8 12.35 16.3 7.243 7.1937 27.68 36.64 21.75 1.4833 7.41 4.9612 10.10
a 0.71707E+01 0.15115E+02 0.11442E+03 0.37331E+04 0.18060E+02 0.40452E+02 0.19428E+03
b –0.98000E-02 –0.51830E-01 –0.75600E+00 –0.23180E+02 –0.36333E-01 –0.17748E+00 –0.12939E+01
0.14040E+03 0.40580E+02 0.42775E+02 0.10384E+03 0.20839E+03 0.11338E+03 0.24264E+02 0.26076E+03 0.11227E+03 0.11071E+03
c
0.23942E-03 0.24280E-02
Range/K 283-343 218-323 130-263 258-299 283-313 184-306 152-224
–0.24673E+00 –0.18418E+00 –0.16175E+00 –0.33838E+00 –0.10318E+01 –0.63979E+00 –0.93914E-01 –0.61145E+00 –0.35591E+00 –0.73428E+00
–0.17151E-03 0.26219E-03 0.17108E-03 0.34156E-03 0.14740E-02 0.96983E-03 0.11926E-03 0.34296E-03 0.34206E-03 0.14054E-02
287-358 195-276 190-392 293-373 176-298 150-299 223-303 278-333 288-343 110-260
0.15996E+01 0.19341E+03 0.34398E+02
0.27434E-02 –0.92211E+00 –0.73630E-01
–0.22086E-04 0.12839E-02 –0.41279E-04
91-184 177-293 198-258
0.84702E+01 0.48740E+01 0.79062E+00 0.45024E+01
–0.21488E-01 –0.49425E-02 0.10639E-01 –0.12054E-01
–0.28510E-04 0.19147E-04
143-185 219-283 220-300 154-319
0.36663E+01
–0.42271E-02
–0.36255E-06
193-273
0.58319E+01 0.75423E+01
–0.80828E-02 –0.11667E-01
0.13412E+01 0.65972E+01 0.21652E+02
0.90000E-02 –0.96800E-02 –0.68146E-01
0.16246E+02
–0.31500E-01
0.11014E+02 0.19606E+02
–0.10859E-01 –0.49847E-01
0.17310E+02 0.37576E+02 0.27705E+02 0.17147E+02 0.90593E+02 0.29724E+03
–0.14674E-01 –0.70400E-01 –0.10621E+00 –0.33371E-01 –0.21421E+00 –0.15508E+01
0.13546E+01 0.19493E+02 0.67142E+01 0.24429E+02
0.62614E-02 –0.59054E-01 –0.59800E-02 –0.48000E-01
0.56803E-04 0.13562E-02 0.36963E-01
302-338 303-333 –0.24130E-14 0.78571E-04
333-393 298-338 263-323
303-333
0.49242E-05
0.12424E-03 0.22591E-02 –0.21374E-04 0.58036E-04
284-363 207-233
338-393 303-333 258-318 288-318 293-318 288-333 200-270 263-363 293-313 288-318
Permittivity (Dielectric Constant) of Liquids Mol. form. C2H4Cl2 C2H4Cl2O C2H4N2O6 C2H4O C2H4O C2H4OS C2H4O2 C2H4O2 C2H4O3S C2H5Br C2H5Cl C2H5ClO C2H5I C2H5N C2H5NO C2H5NO C2H5NO C2H5NO2 C2H5NO2 C2H5NO3 C2H6 C2H6O C2H6O C2H6OS C2H6O2 C2H6O2S C2H6O4S C2H6S C2H6S C2H6S2 C2H6S2 C2H7N C2H7NO C2H8N2 C3Cl6O C3F6O C3HN C3H2F6O C3H3ClO3 C3H3N C3H3NO2 C3H4 C3H4 C3H4ClF3 C3H4ClNO C3H4Cl2O C3H4F4O C3H4O C3H4O3 C3H5Br C3H5BrO2 C3H5Br3 C3H5Cl C3H5Cl C3H5ClN2O6 C3H5ClO C3H5ClO2 C3H5ClO2 C3H5Cl3 C3H5I C3H5N C3H5NO C3H5NS
Name 1,2-Dichloroethane Bis(chloromethyl) ether Ethylene glycol dinitrate Acetaldehyde Ethylene oxide Thioacetic acid Acetic acid Methyl formate Ethylene glycol sulfite Bromoethane Chloroethane 2-Chloroethanol Iodoethane Ethyleneimine Acetamide N-Methylformamide Acetaldoxime Nitroethane Methyl carbamate Ethyl nitrate Ethane Ethanol** Dimethyl ether Dimethyl sulfoxide Ethylene glycol Dimethyl sulfone Dimethyl sulfate Ethanethiol Dimethyl sulfide 1,2-Ethanedithiol Dimethyl disulfide Ethylamine Ethanolamine 1,2-Ethanediamine Hexachloroacetone Perfluoroacetone Cyanoacetylene 1,1,1,3,3,3-Hexafluoro-2-propanol 4-Chloro-1,3-dioxolan-2-one Acrylonitrile Cyanoacetic acid Allene Propyne 3-Chloro-1,1,1-trifluoropropane 2-Chloroethyl isocyanate 1,1-Dichloroacetone 2,2,3,3-Tetrafluoro-1-propanol Propargyl alcohol Ethylene carbonate 3-Bromopropene 2-Bromopropanoic acid 1,2,3-Tribromopropane 2-Chloropropene 3-Chloropropene 3-Chloro-1,2-propanediol dinitrate Epichlorohydrin Ethyl chloroformate Methyl chloroacetate 1,2,3-Trichloropropane 3-Iodopropene Propanenitrile Ethyl isocyanate Ethyl isothiocyanate
T/K 293.2 293.2 293.2 291.2 293.2 298.2 293.2 288.2 298.2 298.2 293.2 293.2 293.2 298.2 363.7 293.2 298.2 288.2 328.2 293.2 95.0 293.2 258.0 293.2 293.2 383.2 298.2 298.2 294.2 293.2 298.2 273.2 293.2 293.2 291.9 202.2 291.9 293.2 313.2 293.2 277.2 269.0 246.0 295.2 288.2 293.2 298.2 293.2 313.2 293.2 294.2 303.2 299.25 293.2 293.2 293.2 308.7 293.2 293.2 292.2 293.2 293.2 293.2
6-151 εr 10.42 3.51 28.26 21.0 12.42 14.30 6.20 9.20 39.6 9.01 9.45 25.80 7.82 18.3 67.6 189.0 4.70 29.11 18.48 19.7 1.9356 25.3 6.18 47.24 41.4 47.39 55.0 6.667 6.70 7.26 9.6 8.7 31.94 13.82 3.925 2.104 72.3 16.70 62.0 33.0 33.4 2.025 3.218 7.32 29.1 14.6 21.03 20.8 89.78 7.0 11.0 6.00 8.92 8.2 17.50 22.6 9.736 12.0 7.5 6.1 29.7 19.7 19.6
a 0.24404E+02
b –0.47892E-01
c
Range/K 293-343
0.52661E+02
–0.21337E+00
0.25947E-03
293-243
–0.15731E+02 0.19699E+02 0.85483E+02 0.28473E+02 0.60693E+02 0.11155E+03 0.25598E+02 0.61405E+02 –0.20055E+03 0.10383E+04
0.12662E+00 –0.36429E-01 –0.15400E+00 –0.85495E-01 –0.31290E+00 –0.30149E+00 –0.94367E-01 –0.14474E+00 0.15515E+01 –0.43165E+01
–0.17738E-03
293-363 288-302 298-328 243-308 237-293 140-175 183-343 273-298 364-448 276-353
0.57406E+02 0.36773E+02
–0.97657E-01 –0.55700E-01
0.20185E+01 0.15145E+03 0.22389E+02 0.38478E+02 0.14355E+03 0.10830E+03
–0.51493E-03 –0.87020E+00 –0.86524E-01 0.16939E+00 –0.48573E+00 –0.15900E+00
0.11228E+02 0.19109E+02 0.30163E+02 0.14890E+03 0.48922E+02 0.76423E+01 0.34809E+01 0.91803E+03
–0.13500E-01 –0.32000E-01 –0.79000E-01 –0.62491E+00 –0.17021E+00 –0.15838E-01 –0.92883E-02 –0.49149E+01
0.77143E-03 0.17262E-03 0.10618E-04 0.12282E-04 0.69104E-02
293-333 298-323 233-273 253-293 273-333 269-303 151-238 281-314
0.11109E+03
–0.36806E+00
0.34879E-03
233-413
0.26049E+01 0.60871E+01 0.22361E+02 0.64311E+02
–0.44147E-03 –0.11730E-01 –0.68840E-01 –0.12217E+00
–0.63420E-05
156-269 185-246 275-313 288-403
0.99895E+02 0.20746E+03
–0.38911E+00 –0.37610E+00
0.11024E+02
–0.16596E-01
303-358
0.15356E+02
–0.18250E-01
309-349
0.82222E+02
–0.22937E+00
0.67971E-04 0.47154E-03 0.11424E-03 –0.22392E-02 0.48398E-02
276-333 328-368 –0.48148E-05 0.19570E-02 0.91291E-04 –0.47423E-03 0.46703E-03
0.60594E-04
0.40776E-03
0.17424E-03
95-295 163-523 155-258 288-343 293-423 383-398
213-293 313-343
213-473
Permittivity (Dielectric Constant) of Liquids
6-152 Mol. form. C3H5N3O9 C3H6 C3H6Br2 C3H6Br2 C3H6ClNO2 C3H6Cl2 C3H6Cl2 C3H6Cl2 C3H6N2O4 C3H6O C3H6O C3H6O C3H6O2 C3H6O2 C3H6O2 C3H6O3 C3H6O3 C3H6O3 C3H7Br C3H7Br C3H7Cl C3H7ClO C3H7ClO C3H7ClO2 C3H7I C3H7I C3H7NO C3H7NO C3H7NO C3H7NO2 C3H7NO2 C3H7NO2 C3H7NO2 C3H7NO2 C3H8 C3H8O C3H8O C3H8O2 C3H8O2 C3H8O2 C3H8O2 C3H8O3 C3H8S C3H8S C3H8S2 C3H8S2 C3H9BO3 C3H9ClSi C3H9N C3H9N C3H9N C3H9O4P C4Cl6 C4Cl6O3 C4F6O3 C4H2Cl4O3 C4H2O3 C4H3F7O C4H4N2 C4H4N2 C4H4O C4H4S C4H5Cl
Name Trinitroglycerol Propene 1,2-Dibromopropane 1,3-Dibromopropane 2-Chloro-2-nitropropane 1,2-Dichloropropane 1,3-Dichloropropane 2,2-Dichloropropane 2,2-Dinitropropane Allyl alcohol Propanal Acetone Propanoic acid Ethyl formate Methyl acetate 3-Hydroxypropanoic acid Dimethyl carbonate 1,3,5-Trioxane 1-Bromopropane 2-Bromopropane 1-Chloropropane 3-Chloro-1-propanol 1-Chloro-2-propanol 3-Chloro-1,2-propanediol 1-Iodopropane 2-Iodopropane N-Ethylformamide N,N-Dimethylformamide N-Methylacetamide** 1-Nitropropane 2-Nitropropane Propyl nitrite Isopropyl nitrite Ethyl carbamate Propane 1-Propanol 2-Propanol 1,2-Propylene glycol** 1,3-Propylene glycol Ethylene glycol monomethyl ether Dimethoxymethane Glycerol 1-Propanethiol 2-Propanethiol 1,2-Propanedithiol 1,3-Propanedithiol Trimethyl borate Trimethylchlorosilane Propylamine Isopropylamine Trimethylamine Trimethyl phosphate Hexachloro-1,3-butadiene Trichloroacetic anhydride Trifluoroacetic acid anhydride Dichloroacetic anhydride Maleic anhydride 2,2,3,3,4,4,4-Heptafluoro-1-butanol Succinonitrile Pyrazine Furan Thiophene 2-Chloro-1,3-butadiene
T/K 293.2 220.0 283.2 293.2 250.4 293.2 303.2 293.2 325.1 293.2 290.2 293.2 298.2 288.2 288.2 296.2 298.2 338.2 293.2 293.2 293.2 215.2 153.2 293.2 293.2 298.2 298.2 293.2 303.2 288.2 288.2 250.0 260.0 328.2 293.19 293.2 293.2 303.2 293.2 298.2 293.2 293.2 288.2 298.2 293.2 303.2 293.2 273.2 296.2 293.2 298.2 293.2 293.2 298.2 298.2 298.2 326.2 298.2 298.2 323.2 277.1 293.2 293.2
εr 19.25 2.1365 4.60 9.482 31.90 8.37 10.27 11.37 42.4 19.7 18.5 21.01 3.44 8.57 7.07 30.0 3.087 15.55 8.09 9.46 8.588 36.0 59.0 31.0 7.07 8.19 102.7 38.25 179.0 24.70 26.74 12.35 13.92 14.14 1.6678 20.8 20.18 27.5 35.1 17.2 2.644 46.53 5.937 5.952 7.24 8.11 2.2762 10.21 5.08 5.6268 2.440 20.6 2.55 5.0 2.7 15.8 52.75 14.4 62.6 2.80 2.88 2.739 4.914
a
b
c
Range/K
0.29623E+01 0.54973E+01 0.29193E+02
–0.37564E-02 –0.31695E-02 –0.94450E-01
0.92800E-04
220-250 283-333 293-368
0.18915E+02 0.21609E+02 0.32421E+02
–0.35907E-01 –0.37333E-01 –0.72188E-01
0.62714E+02
–0.14771E+00
0.37879E-05
213-303
0.88157E+02 0.18793E+01 0.15884E+02 0.13190E+02
–0.34300E+00 0.46841E-02 –0.25333E-01 –0.21226E-01
0.38925E-03 0.19983E-05
273-323 289-408 288-318 276-318
0.17769E+02 0.26195E+02 0.21214E+02 0.12436E+03 –0.19169E+02
–0.32599E-01 –0.72995E-01 –0.43130E-01 –0.60841E+00 0.13605E+01
0.13744E+02
–0.22745E-01
0.64764E+03 0.15364E+03 0.15975E+04 0.94999E+02 0.60138E+02 0.70552E+02 0.74578E+02 0.32431E+02 0.22883E+01 0.98045E+02 0.10416E+03 0.24546E+03 0.11365E+03 0.11803E+03 0.25877E+01 0.77503E+02 0.11602E+02
–0.28499E+01 –0.60367E+00 –0.90451E+01 –0.38358E+00 –0.11566E+00 –0.40362E+00 –0.38283E+00 –0.65097E-01 –0.23276E-02 –0.36860E+00 –0.41011E+00 –0.15738E+01 –0.36680E+00 –0.58000E+00 –0.93019E-03 –0.37984E-01 –0.19580E-01
0.14667E+02 0.66607E+01
–0.32660E-01 0.31310E-01
0.25000E-04 –0.87500E-04
293-333 303-343
–0.19492E+02 0.17719E+02 0.40429E+02 0.39745E+01
0.29806E+00 –0.59022E-01 –0.21441E+00 –0.51331E-02
–0.69284E-03 0.54780E-04 0.32634E-03
223-273 204-296 213-298 273-298
0.17724E+03
–0.54654E+00
0.54046E-03
236-351
0.13636E+01 0.32941E+01
0.12864E-01 –0.19019E-02
–0.22701E-04
188-277 253-293
281-323 303-333 245-293
0.55454E-04 0.92060E-03 –0.55567E-02
274-328 186-328 273-313 145-215 153-177 293-323
0.34286E-02 0.71505E-03 0.18345E-01 0.48480E-03 0.66687E-03 0.57071E-03 0.28571E-04 0.84710E-06 0.36422E-03 0.42049E-03 0.38068E-02 0.33766E-03 0.81001E-03 0.38472E-05 –0.23107E-03
298-338 213-353 303-473 276-333 276-303 110-310 150-300 328-368 90-300 193-493 193-493 193-403 288-328 254-318 171-293 288-343 273-318
Permittivity (Dielectric Constant) of Liquids Mol. form. C4H5Cl3O2 C4H5N C4H5NO C4H6 C4H6O C4H6O C4H6O C4H6O2 C4H6O2 C4H6O2 C4H6O3 C4H6O3 C4H7Br C4H7Br C4H7BrO2 C4H7BrO2 C4H7BrO2 C4H7ClO2 C4H7ClO2 C4H7N C4H7N C4H7NO C4H8 C4H8 C4H8 C4H8Br2 C4H8Br2 C4H8Br2 C4H8Br2 C4H8Br2 C4H8Cl2 C4H8Cl2 C4H8Cl2 C4H8Cl2O C4H8O C4H8O C4H8O C4H8O2 C4H8O2 C4H8O2 C4H8O2 C4H8O2 C4H8O2 C4H8O3 C4H8O3 C4H8O3 C4H8O3 C4H9Br C4H9Br C4H9Br C4H9Br C4H9Cl C4H9Cl C4H9Cl C4H9Cl C4H9I C4H9I C4H9I C4H9N C4H9NO C4H9NO C4H9NO C4H9NO
Name Ethyl trichloroacetate Pyrrole Allyl isocynate 1,3-Butadiene Divinyl ether Ethoxyacetylene Cyclobutanone Methyl acrylate 2,3-Butanedione γ-Butyrolactone Acetic anhydride Propylene carbonate cis-2-Bromo-2-butene trans-2-Bromo-2-butene 2-Bromobutanoic acid Ethyl bromoacetate Methyl 3-bromopropanoate Propyl chlorocarbonate Methyl 2-chloropropanoate Butanenitrile 2-Methylpropanenitrile 2-Pyrrolidone 1-Butene cis-2-Butene Isobutene 1,2-Dibromobutane 1,3-Dibromobutane 1,4-Dibromobutane 2,3-Dibromobutane 1,2-Dibromo-2-methylpropane 1,2-Dichlorobutane 1,4-Dichlorobutane 1,2-Dichloro-2-methylpropane Bis(2-chloroethyl) ether Butanal 2-Butanone Tetrahydrofuran Butanoic acid 2-Methylpropanoic acid Propyl formate Ethyl acetate Methyl propanoate 1,4-Dioxane 2-Hydroxybutanoic acid 3-Hydroxybutanoic acid Ethyl methyl carbonate Ethylene glycol monoacetate 1-Bromobutane 2-Bromobutane 1-Bromo-2-methylpropane 2-Bromo-2-methylpropane 1-Chlorobutane 2-Chlorobutane 1-Chloro-2-methylpropane 2-Chloro-2-methylpropane 1-Iodobutane 2-Iodobutane 2-Iodo-2-methylpropane Pyrrolidine N-Methylpropanamide N-Ethylacetamide N,N-Dimethylacetamide 2-Butanone oxime
T/K 293.2 293.0 288.2 265.0 288.2 298.2 298.2 303.2 298.2 293.2 293.2 293.0 293.2 293.2 293.2 303.2 303.2 293.2 303.2 293.2 293.2 298.2 220.0 296.0 288.7 293.2 293.2 303.2 298.2 293.2 293.2 308.2 296.0 293.2 298.2 293.2 295.2 287.2 293.2 303.2 293.2 293.2 293.2 296.2 296.2 293.2 303.2 283.2 298.2 273.2 293.0 293.2 293.2 293.2 293.2 293.2 293.2 283.2 293.0 293.2 293.2 294.2 293.2
6-153 εr 8.428 8.00 15.15 2.050 3.94 8.05 14.27 7.03 4.04 39.0 22.45 66.14 5.38 6.76 7.2 9.75 5.81 11.2 11.45 24.83 24.42 28.18 2.2195 1.960 2.1225 4.74 9.14 8.68 6.245 4.1 7.74 9.30 7.15 21.20 13.45 18.56 7.52 2.98 2.58 6.92 6.0814 6.200 2.2189 37.7 31.5 2.985 12.95 7.315 8.64 7.70 10.98 7.276 8.564 7.027 9.663 6.27 7.873 6.65 8.30 170.0 135.0 38.85 3.4
a
b
c
Range/K
0.12672E+02 0.34299E+02 0.27674E+01
–0.14075E-01 –0.66444E-01 –0.26738E-02
–0.62671E-05
293-357 288-333 185-265
0.43974E+02 0.11968E+02 0.46907E+01
–0.15712E+00 –0.16500E-01 –0.22302E-02
0.19264E-03
220-317 303-333 278-348
0.15940E+03
–0.39530E+00
0.26284E-03
273-333
0.15627E+02 0.36001E+01
–0.19600E-01 0.72500E-02
303-333 303-343
0.22449E+02 0.53884E+02 0.52554E+02 0.11054E+03 0.29354E+01 0.28802E+01 0.33701E+01 0.11199E+03 0.34031E+02 0.20944E+02 0.23849E+02
–0.36250E-01 –0.99257E-01 –0.96000E-01 –0.47945E+00 –0.32580E-02 –0.31064E-02 –0.43295E-02 –0.63334E+00 –0.13254E+00 –0.55620E-01 –0.96300E-01
0.91250E-03 0.16250E-03 0.50000E-04 0.12500E-03
303-343 293-333 293-313 298-338 220-250 197-296 220-289 293-333 293-333 303-333 293-333
0.31925E+02 0.59766E+01 0.39429E+02
–0.13232E+00 0.49300E-01 –0.20028E+00
0.17007E-03 –0.12500E-03 0.30917E-03
293-356 308-338 165-296
0.15457E+02 0.30739E+02 0.15010E+01
0.90152E-01 –0.12946E+00 0.50046E-02
–0.27100E-03 0.17195E-03
293-333 224-295 287-403
0.15646E+02 0.12798E+02 0.27299E+01
–0.44066E-01 –0.22540E-01 –0.17440E-02
0.39137E-04
293-433 293-333 293-313
0.22542E+02 0.18461E+02 0.37558E+02 0.35085E+02 0.13565E+02 0.30376E+02 0.14945E+02 0.35077E+02 0.16493E+02 0.10883E+02 0.76780E+01 0.38191E+02
–0.79306E-01 –0.32933E-01 –0.20571E+00 –0.14075E+00 –0.10161E-01 –0.11377E+00 –0.33747E-01 –0.12867E+00 –0.50262E-01 –0.14680E-02 0.69900E-02 –0.15462E+00
0.89867E-04 0.35496E-03 0.19960E-03 –0.38750E-04 0.13429E-03 0.23036E-04 0.14304E-03 0.52485E-04 –0.30000E-04 –0.37500E-04 0.17941E-03
183-363 274-328 112-273 258-293 273-323 273-323 273-323 273-323 293-323 293-323 283-323 274-333
0.74494E+03 0.15420E+03
–0.31400E+01 –0.57506E+00
0.36131E-02 0.61911E-03
213-353 294-433
0.68182E-03
Permittivity (Dielectric Constant) of Liquids
6-154 Mol. form. C4H9NO C4H9NO2 C4H9NO2 C4H9NO2 C4H9NO2 C4H9NO3 C4H10 C4H10 C4H10O C4H10O C4H10O C4H10O C4H10O C4H10O2 C4H10O2 C4H10O2 C4H10O2 C4H10O2 C4H10O2S C4H10O3 C4H10O3S C4H10O4 C4H10O4S C4H10S C4H10S C4H10S C4H10S C4H10S C4H11N C4H11N C4H11NO2 C4H12O2Si C4H12O3Si C4H12O4Si C4H12Si C4H12Si C4H13N3 C5FeO5 C5H4BrN C5H4ClN C5H4F8O C5H4O2 C5H5N C5H5NO C5H6O C5H6O2 C5H7Cl3O2 C5H7NO2 C5H8 C5H8 C5H8 C5H8 C5H8O C5H8O2 C5H8O2 C5H8O2 C5H8O2 C5H8O4 C5H9BrO2 C5H9ClO2 C5H9ClO2 C5H9ClO2 C5H9ClO2
Name Morpholine tert-Butyl nitrite Propyl carbamate Ethyl-N-methyl carbamate N-Acetylethanolamine Butyl nitrate Butane Isobutane 1-Butanol** 2-Butanol** 2-Methyl-1-propanol** 2-Methyl-2-propanol** Diethyl ether 1,2-Butanediol 1,3-Butanediol 1,4-Butanediol Ethylene glycol monoethyl ether Ethylene glycol dimethyl ether Bis(2-hydroxyethyl) sulfide Diethylene glycol Diethyl sulfite 1,2,3,4-Butanetetrol Diethyl sulfate 1-Butanethiol 2-Butanethiol 2-Methyl-1-propanethiol 2-Methyl-2-propanethiol Diethyl sulfide Butylamine Diethylamine Diethanolamine Dimethoxydimethylsilane Trimethoxymethylsilane Tetramethyl silicate Diethylsilane Tetramethylsilane Diethylenetriamine Iron pentacarbonyl 2-Bromopyridine 2-Chloropyridine 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol Furfural Pyridine Pyridine-1-oxide 2-Methylfuran Furfuryl alcohol Propyl trichloroacetate Ethyl cyanoacetate 1,3-Pentadiene* 1,4-Pentadiene 2-Methyl-1,3-butadiene Cyclopentene Cyclopentanone Ethyl acrylate Methyl trans-2-butenoate Methyl methacrylate 2,4-Pentanedione Dimethyl malonate Ethyl 2-bromopropanoate Isobutyl chlorocarbonate Ethyl 2-chloropropanoate Ethyl 3-chloropropanoate Methyl 4-chlorobutanoate
T/K 298.2 298.2 338.2 298.2 298.2 293.2 295.0 295.0 293.2 293.2 293.2 298.2 293.2 298.2 298.2 298.2 298.2 296.7 293.2 293.2 293.2 393.2 293.2 288.2 288.2 298.2 293.2 298.2 293.2 293.2 293.2 298.2 298.2 293.2 293.2 293.2 293.2 293.2 298.2 298.2 298.2 293.2 293.2 343.0 293.2 298.2 298.2 263.2 298.2 294.0 293.2 295.0 298.2 303.2 293.2 303.2 303.2 293.2 293.2 293.2 303.2 303.2 303.2
εr 7.42 11.47 12.06 21.10 96.6 13.10 1.7697 1.7518 17.84 17.26 17.93 12.47 4.2666 22.4 28.8 31.9 13.38 7.30 28.61 31.82 15.6 28.2 29.2 5.204 5.645 4.961 5.475 5.723 4.71 3.680 25.75 3.663 4.9 6.0 2.544 1.921 12.62 2.602 23.18 27.32 15.30 42.1 13.260 35.94 2.76 16.85 8.32 31.62 2.319 2.054 2.098 2.083 13.58 6.05 6.6645 6.32 26.524 9.82 9.4 9.1 11.95 10.19 9.51
a
b
c
Range/K
0.24356E+02 0.11477E+03 0.37016E+03
–0.36400E-01 –0.47568E+00 –0.13113E+01
0.54127E-03 0.13214E-02
338-378 298-373 298-348
0.22379E+01 0.23295E+01 0.10578E+03 0.13850E+03 0.10762E+03 0.22541E+03 0.79725E+01 0.63702E+02 0.72883E+02 0.13079E+03
–0.13884E-02 –0.19953E-02 –0.50587E+00 –0.75146E+00 –0.51398E+00 –0.14990E+01 –0.12519E-01 –0.13807E+00 –0.14770E+00 –0.46985E+00
–0.66711E-06 0.14197E-06 0.84733E-03 0.14086E-02 0.83702E-03 0.34050E-02
0.46320E-03
135-303 115-303 193-553 172-533 173-533 298-503 283-301 278-323 278-323 288-328
0.48832E+02 0.13128E+03 0.13973E+03
–0.24218E+00 –0.52719E+00 –0.54725E+00
0.34413E-03 0.60465E-03 0.61149E-03
256-318 253-333 288-343
0.11201E+02 0.10866E+02
–0.20767E-01 –0.17993E-01
273-318 273-318
0.10597E+02
–0.17500E-01
283-313
0.13322E+02 0.26462E+02 0.73435E+02
–0.44176E-01 –0.13750E+00 –0.21377E+00
0.50250E-04 0.20373E-03 0.17500E-03
223-333 243-323 273-323
0.57840E+02
–0.23873E+00
0.28841E-03
213-333
0.73391E+02 0.98702E+02
–0.23678E+00 –0.34237E+00
0.22930E-03 0.34502E-03
298-398 298-398
0.43991E+02 0.20878E+02
–0.15150E+00 0.16450E+00
0.15925E-03 –0.35269E-03
293-323 343-398
0.29994E+01 0.28170E+01 0.28177E+01 0.24083E+02 0.47827E+02
–0.34578E-02 –0.23147E-02 –0.27597E-02 –0.30286E-01 –0.24394E+00
0.85300E-06 –0.43975E-06 0.89346E-06 –0.16802E-04 0.35000E-03
178-294 198-293 171-319 219-298 303-343
0.32098E+02
–0.14568E+00
0.20000E-03
303-343
0.26470E+02
–0.76656E-01
0.67888E-04
293-433
0.25965E+02 0.21951E+02 0.17127E+02
–0.46250E-01 –0.38750E-01 –0.25000E-01
303-343 303-343 303-343
Permittivity (Dielectric Constant) of Liquids Mol. form. C5H9N C5H9N C5H9NO C5H9NO C5H10 C5H10 C5H10 C5H10 C5H10 C5H10Br2 C5H10Br2 C5H10Br2 C5H10Cl2 C5H10Cl2 C5H10O C5H10O C5H10O C5H10O C5H10O C5H10O C5H10O C5H10O C5H10O2 C5H10O2 C5H10O2 C5H10O2 C5H10O2 C5H10O2 C5H10O2 C5H10O2S C5H10O3 C5H10O3 C5H10O4 C5H11Br C5H11Br C5H11Br C5H11Br C5H11Cl C5H11Cl C5H11Cl C5H11F C5H11I C5H11I C5H11I C5H11I C5H11N C5H11N C5H11NO C5H11NO C5H11NO C5H11NO2 C5H12 C5H12 C5H12 C5H12N2O C5H12O C5H12O C5H12O C5H12O C5H12O C5H12O C5H12O C5H12O
Name Pentanenitrile 2,2-Dimethylpropanenitrile Isobutyl isocyanate N-Methyl-2-pyrrolidone 1-Pentene 2-Methyl-1-butene 2-Methyl-2-butene Cyclopentane Ethylcyclopropane 1,2-Dibromopentane 1,4-Dibromopentane 1,5-Dibromopentane 1,2-Dichloropentane 1,5-Dichloropentane Cyclopentanol Pentanal 2,2-Dimethylpropanal 2-Pentanone 3-Pentanone 3-Methyl-2-butanone Tetrahydropyran 2-Methyltetrahydrofuran Pentanoic acid Butyl formate Isobutyl formate Propyl acetate Ethyl propanoate Methyl butanoate Tetrahydrofurfuryl alcohol 3-Methyl sulfolane Diethyl carbonate Ethyl lactate 1,2,3-Propanetriol-1-acetate 2-Bromo-2-methylbutane 1-Bromopentane 3-Bromopentane 1-Bromo-3-methylbutane 1-Chloropentane 1-Chloro-3-methylbutane 2-Chloro-2-methylbutane 1-Fluoropentane 1-Iodopentane 3-Iodopentane 1-Iodo-3-methylbutane 2-Iodo-2-methylbutane Piperidine N-Methylpyrrolidine 2,2-Dimethylpropanamide N,N-Diethylformamide 2-Pentanone oxime Pentyl nitrite Pentane Isopentane Neopentane Tetramethylurea 1-Pentanol 2-Pentanol 3-Pentanol 2-Methyl-1-butanol 3-Methyl-1-butanol 2-Methyl-2-butanol 3-Methyl-2-butanol 2,2-Dimethyl-1-propanol
T/K 293.2 293.2 293.2 293.2 293.2 293.2 296.0 293.2 293.2 298.2 293.2 303.2 293.2 298.2 288.2 293.2 293.2 293.2 293.2 293.2 293.2 298.2 294.4 303.2 293.2 293.2 293.2 301.2 303.2 298.2 297.2 303.2 242.2 298.2 299.2 298.2 291.5 293.2 292.0 222.75 293.2 293.2 293.2 292.2 293.2 293.0 298.2 298.2 293.2 293.2 298.2 293.2 293.2 296.0 293.2 298.2 298.2 298.2 298.2 293.2 298.2 298.2 333.2
6-155 εr 20.04 21.1 11.638 32.55 2.011 2.180 1.979 1.9687 1.933 4.39 9.05 9.14 6.89 9.92 18.5 10.00 9.051 15.45 17.00 10.37 5.66 6.97 2.661 6.10 6.41 5.62 5.76 5.48 13.48 29.4 2.820 15.4 38.57 9.21 6.31 8.37 6.33 6.654 6.10 12.31 3.931 5.78 7.432 5.6 8.192 4.33 32.2 20.13 29.6 3.3 7.21 1.8371 1.845 1.769 23.10 15.13 13.71 13.35 15.63 15.63 5.78 12.1 8.35
a 0.55793E+02 0.58418E+02 0.38026E+02
b –0.15750E+00 –0.16884E+00 –0.12714E+00
c 0.12432E-03 0.14131E-03 0.12679E-03
Range/K 183-333 293-453 293-353
–0.11438E+01
0.25420E-01
–0.50000E-04
273-293
0.26064E+01 0.24287E+01
–0.19578E-02 –0.15304E-02
–0.53908E-06 –0.13095E-06
225-296 278-313
0.26443E+02 0.38192E+02 0.19016E+02
–0.88640E-01 –0.15648E+00 –0.57954E-01
0.10000E-03 0.20000E-03 0.56801E-04
293-333 303-333 293-356
0.10565E+03
–0.44244E+00
0.48657E-03
258-323
0.18645E+02 0.40893E+02 0.12690E+02 0.30695E+02 0.19793E+02
–0.32395E-01 –0.10423E+00 0.95177E-01 –0.10962E+00 –0.76071E-01
–0.16157E-05 0.60557E-04 –0.27321E-03 0.13810E-03 0.94852E-04
280-333 204-353 233-353 293-328 234-333
0.33491E+01 0.21532E+02
–0.75156E-02 –0.84106E-01
0.17820E-04 0.10952E-03
250-344 288-323
0.17677E+02
–0.61404E-01
0.69196E-04
253-353
0.38604E+02
–0.19171E+00
0.27128E-03
301-343
0.53158E+02
–0.93730E-01
0.47275E-04
298-398
0.31225E+02 0.10653E+03
–0.43531E-01 –0.26439E+00
–0.28571E-04 –0.62371E-04
273-373 215-242
0.20954E+02
–0.78743E-01
0.98908E-04
183-328
0.27743E+02 0.18626E+02 0.22228E+02 0.55104E+02
–0.13927E+00 –0.54719E-01 –0.93189E-01 –0.29866E+00
0.22627E-03 0.47143E-04 0.12991E-03 0.47840E-03
123-292 273-323 171-297 201-223
0.15753E+02
–0.50543E-01
0.56401E-04
293-323
0.82317E+01
–0.11229E-01
–0.71429E-05
293-333
0.10400E+03
–0.46017E+00
0.60000E-03
298-328
0.22384E+01 0.10949E+02
–0.12985E-02 –0.63057E-01
–0.16182E-06 0.10835E-03
143-293 251-296
0.73397E+02 0.16437E+03 0.12838E+03 0.14020E+02 0.79733E+02 0.11662E+03
–0.28165E+00 –0.86506E+00 –0.60980E+00 0.13948E+00 –0.31272E+00 –0.69756E+00
0.28427E-03 0.11955E-02 0.75000E-03 –0.45000E-03 0.32014E-03 0.10920E-02
213-513 273-323 288-318 288-318 173-513 268-318
0.92350E+02
–0.41870E+00
0.50000E-03
333-373
Permittivity (Dielectric Constant) of Liquids
6-156 Mol. form. C5H12O2 C5H12O2 C5H12O2 C5H12O2 C5H12O2 C5H12O2 C5H12O4 C5H12O5 C5H12S C5H12S C5H12S4 C5H13N C5H13N3 C5H14OSi C6F6 C6F14 C6H3N3O7 C6H4BrF C6H4BrF C6H4BrF C6H4BrNO2 C6H4Br2 C6H4Br2 C6H4Br2 C6H4ClF C6H4ClF C6H4ClF C6H4ClNO2 C6H4ClNO2 C6H4ClNO2 C6H4Cl2 C6H4Cl2 C6H4Cl2 C6H4FI C6H4FI C6H4F2 C6H4F2 C6H4I2 C6H4I2 C6H4I2 C6H4N2 C6H4N2 C6H4N2 C6H4N2O4 C6H5Br C6H5Cl C6H5ClO C6H5ClO C6H5ClO C6H5ClO2S C6H5ClS C6H5F C6H5I C6H5NOS C6H5NO2 C6H5NO3 C6H5NO3 C6H5NO3 C6H6 C6H6BrN C6H6ClN C6H6ClN C6H6N2O2
Name 1,2-Pentanediol 1,4-Pentanediol 1,5-Pentanediol 2,3-Pentanediol 2,4-Pentanediol Diethoxymethane Tetramethoxymethane Xylitol 1-Pentanethiol 2-Methyl-2-butanethiol Tetrakis(methylthio)methane Pentylamine 1,1,3,3-Tetramethylguanidine Ethoxytrimethylsilane Hexafluorobenzene Perfluorohexane 2,4,6-Trinitrophenol 1-Bromo-2-fluorobenzene 1-Bromo-3-fluorobenzene 1-Bromo-4-fluorobenzene 1-Bromo-3-nitrobenzene o-Dibromobenzene m-Dibromobenzene p-Dibromobenzene 1-Chloro-2-fluorobenzene 1-Chloro-3-fluorobenzene 1-Chloro-4-fluorobenzene 1-Chloro-2-nitrobenzene 1-Chloro-3-nitrobenzene 1-Chloro-4-nitrobenzene o-Dichlorobenzene m-Dichlorobenzene p-Dichlorobenzene 1-Fluoro-2-iodobenzene 1-Fluoro-4-iodobenzene o-Difluorobenzene m-Difluorobenzene o-Diiodobenzene m-Diiodobenzene p-Diiodobenzene 2-Pyridinecarbonitrile 3-Pyridinecarbonitrile 4-Pyridinecarbonitrile 1,3-Dinitrobenzene Bromobenzene Chlorobenzene o-Chlorophenol m-Chlorophenol p-Chlorophenol Benzenesulfonyl chloride 4-Chlorobenzenethiol Fluorobenzene Iodobenzene N-Sulfinylaniline Nitrobenzene o-Nitrophenol m-Nitrophenol p-Nitrophenol Benzene m-Bromoaniline o-Chloroaniline m-Chloroaniline o-Nitroaniline
T/K 296.8 295.7 293.2 296.9 294.2 293.2 293.2 293.2 293.2 293.2 343.2 293.2 298.2 298.2 298.2 298.2 294.2 298.2 298.2 298.2 328.2 293.2 293.2 368.2 298.2 298.2 298.2 323.2 323.2 393.2 293.2 293.2 328.2 298.2 298.2 301.2 301.2 323.2 323.2 393.2 303.2 323.2 353.2 365.2 293.2 293.2 296.2 293.2 314.2 323.2 338.2 293.2 293.2 298.2 293.0 323.2 373.2 393.2 293.2 293.2 293.2 293.2 353.0
εr 17.31 26.74 26.2 17.37 24.69 2.527 2.40 40.0 4.847 5.087 2.818 4.27 11.5 3.013 2.029 1.76 4.0 4.72 4.85 2.60 20.2 7.86 4.81 2.57 6.10 4.96 3.34 37.7 20.9 8.09 10.12 5.02 2.3943 8.22 3.12 13.38 5.01 5.41 4.11 2.88 93.77 20.54 5.23 22.9 5.45 5.6895 7.40 6.255 11.18 28.90 3.59 5.465 4.59 6.97 35.6 16.50 35.45 42.20 2.2825 13.0 13.40 13.3 47.3
a 0.18436E+03 0.13568E+03 0.11858E+03 0.95876E+02 0.11914E+03 0.25294E+01
b –0.10682E+01 –0.59198E+00 –0.45920E+00 –0.46463E+00 –0.52569E+00 0.73988E-04
c 0.17037E-02 0.75398E-03 0.49341E-03 0.67434E-03 0.69607E-03 –0.28331E-06
Range/K 197-297 193-318 243-343 238-297 224-294 227-293
0.71131E+01 0.15116E+02
–0.30228E-02 –0.50700E-01
–0.16414E-04 0.56250E-04
273-333 273-333
0.11274E+02
–0.34965E-01
0.37706E-04
223-353
0.24041E+01
–0.83086E-03
–0.14286E-05
298-338
0.81413E+02 –0.81849E-02 0.93214E+01
–0.27645E+00 0.62671E-01 –0.20273E-01
0.27367E-03 –0.12222E-03 0.16667E-04
328-413 293-353 293-353
0.16800E+03 0.77193E+02
–0.59708E+00 –0.25118E+00
0.59957E-03 0.23798E-03
323-436 323-433
0.13629E+02 0.77565E+01 0.26999E+01
0.10622E-02 –0.93333E-02 –0.35325E-03
–0.44444E-04 –0.26880E-14 –0.17619E-05
293-353 293-353 328-363
0.59107E+02 0.14448E+02 0.31150E+02
–0.23611E+00 –0.46982E-01 –0.14428E+00
0.27987E-03 0.51948E-04 0.20000E-03
273-323 273-323 323-353
0.45596E+03 0.60484E+02 0.12533E+02 0.10406E+03 0.94100E+01 0.19471E+02 0.29755E+02
–0.17746E+01 –0.17280E+00 –0.30115E-01 –0.34133E+00 –0.12537E-01 –0.70786E-01 –0.11256E+00
0.19105E-02 0.15218E-03 0.26674E-04 0.32609E-03 –0.31127E-05 0.82466E-04 0.12390E-03
303-398 323-398 353-398 365-413 234-333 293-430 296-448
0.31997E+02 0.83886E+02
–0.94241E-01 –0.23405E+00
0.88392E-04 0.19713E-03
314-453 323-473
0.89442E+01
–0.20008E-01
0.17641E-04
243-323
0.11212E+03 0.33827E+02 0.18967E+03 0.22901E+03 0.26706E+01
–0.35211E+00 –0.62123E-01 –0.66144E+00 –0.74264E+00 –0.91648E-03
0.31128E-03 0.26774E-04 0.66532E-03 0.68006E-03 –0.14257E-05
279-533 323-453 373-458 393-463 293-513
0.18900E+03
–0.56977E+00
0.47484E-03
353-468
Permittivity (Dielectric Constant) of Liquids Mol. form. C6H6N2O2 C6H6N2O2 C6H6O C6H6O2 C6H6O2 C6H6S C6H7N C6H7N C6H7N C6H7N C6H7NO C6H7NO C6H8 C6H8 C6H8N2 C6H8N2 C6H8N2 C6H8O2 C6H9Cl3O2 C6H9Cl3O2 C6H9N C6H10 C6H10 C6H10 C6H10 C6H10 C6H10 C6H10 C6H10 C6H10 C6H10O C6H10O C6H10O C6H10O2 C6H10O2 C6H10O3 C6H10O3 C6H10O4 C6H10O4 C6H10O4 C6H10O4 C6H11Br C6H11BrO2 C6H11BrO2 C6H11Cl C6H11N C6H11N C6H11NO C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12Br2 C6H12Br2 C6H12Cl2 C6H12O C6H12O C6H12O C6H12O C6H12O
Name m-Nitroaniline p-Nitroaniline Phenol Pyrocatechol Resorcinol Benzenethiol Aniline 2-Methylpyridine 3-Methylpyridine 4-Methylpyridine 2-Methylpyridine-1-oxide 3-Methylpyridine-1-oxide 1,3-Cyclohexadiene 1,4-Cyclohexadiene Phenylhydrazine 2,5-Dimethylpyrazine 2,6-Dimethylpyrazine 1,4-Cyclohexanedione Butyl trichloroacetate Isobutyl trichloroacetate Cyclopentanecarbonitrile 1,5-Hexadiene cis,cis-2,4-Hexadiene trans,trans-2,4-Hexadiene 2-Methyl-1,3-pentadiene* 3-Methyl-1,3-pentadiene 4-Methyl-1,3-pentadiene 2,3-Dimethyl-1,3-butadiene 1-Hexyne Cyclohexene Butoxyacetylene Cyclohexanone Mesityl oxide Ethyl 2-butenoate Ethyl methacrylate Ethyl acetoacetate Propanoic anhydride Monomethyl glutarate Diethyl oxalate Dimethyl succinate Ethylene glycol diacetate Bromocyclohexane Ethyl 2-bromobutanoate Ethyl 2-bromo-2-methylpropanoate Chlorocyclohexane Hexanenitrile 4-Methylpentanenitrile Cyclohexanone oxime 1-Hexene trans-2-Hexene cis-3-Hexene trans-3-Hexene Cyclohexane Methylcyclopentane Ethylcyclobutane 1,6-Dibromohexane 3,4-Dibromohexane 1,6-Dichlorohexane 1-Methylcyclopentanol Isobutyl vinyl ether 2-Hexanone 4-Methyl-2-pentanone 3,3-Dimethyl-2-butanone
T/K 398.0 428.0 303.2 388.2 393.2 303.2 293.2 293.2 303.0 293.0 323.2 318.2 184.2 296.0 293.2 293.2 308.2 351.2 293.2 293.2 293.2 294.0 297.0 297.0 298.2 298.2 293.2 293.2 296.0 293.2 298.2 293.0 273.2 293.2 303.2 293.2 293.2 293.2 293.2 293.2 290.2 303.2 303.2 303.2 303.2 298.2 295.2 362.2 294.0 295.0 296.0 293.2 293.2 293.2 293.2 298.2 298.2 308.2 310.1 293.2 293.2 293.2 293.2
6-157 εr 35.6 78.5 12.40 17.57 13.55 4.26 7.06 10.18 11.10 12.2 36.4 28.26 2.68 2.211 7.15 2.436 2.653 4.40 7.480 7.667 22.68 2.125 2.163 2.123 2.422 2.426 2.599 2.102 2.621 2.2176 6.62 16.1 15.6 5.4 5.68 14.0 18.30 8.37 8.266 7.19 7.7 8.0026 8.57 8.55 7.9505 17.26 17.5 3.04 2.077 1.978 2.069 1.954 2.0243 1.9853 1.965 8.52 6.732 8.60 7.11 3.34 14.56 13.11 12.73
a 0.20352E+03 0.48673E+03 0.63391E+02 0.74930E+02 0.30252E+02 0.57155E+01 0.89534E+01 0.34560E+02 0.19643E+03 0.33765E+02 0.11705E+03 0.59851E+02
b –0.66582E+00 –0.15040E+01 –0.24988E+00 –0.22142E+00 –0.56443E-01 –0.70336E-02 0.38990E-02 –0.11980E+00 –0.11167E+01 –0.10113E+00 –0.35301E+00 –0.12682E+00
c 0.61310E-03 0.12857E-02 0.26930E-03 0.18919E-03 0.35578E-04 0.73617E-05 –0.36310E-04 0.12500E-03 0.16667E-02 0.93860E-04 0.32000E-03 0.86622E-04
Range/K 398-468 428-468 303-433 388-463 393-463 303-358 293-413 293-333 303-333 274-333 323-398 318-398
0.27459E+01
–0.16975E-02
–0.36461E-06
232-356
0.69830E+02 0.30014E+01 0.27284E+01 0.26774E+01
–0.25303E+00 –0.28668E-02 –0.17178E-02 –0.16977E-02
0.31491E-03 –0.31026E-06 –0.62926E-06 –0.55637E-06
201-293 151-294 234-351 232-353
0.51328E+01 0.26258E+01 0.58591E+01 0.30598E+01
–0.12774E-01 –0.17990E-02 –0.17099E-01 –0.39841E-02
0.14215E-04 0.12035E-06 0.20856E-04 0.37554E-05
198-323 223-323 184-296 141-313
0.41577E+02
–0.11463E+00
0.92454E-04
253-423
0.40962E+02
–0.20520E+00
0.29286E-03
303-343
0.16779E+02 0.21938E+02 0.13551E+02 0.25093E+02
–0.39839E-01 –0.66226E-01 –0.23109E-01 –0.95171E-01
0.38095E-04 0.66800E-04 0.55440E-05 0.12224E-03
293-363 293-368 293-433 223-290
0.49005E+02 0.77044E+02
–0.23193E+00 –0.40784E+00
0.32500E-03 0.60000E-03
303-333 303-333
0.31476E+01 0.24338E+01 0.30691E+01
–0.50003E-02 –0.11323E-02 –0.45458E-02
0.46673E-05 –0.13720E-05 0.39898E-05
149-294 157-295 155-296
0.24293E+01 0.21587E+01
–0.12095E-02 –0.22450E-03
–0.58741E-06 –0.12500E-05
283-333 293-323
–0.55185E+01
0.11746E+00
–0.23658E-03
274-328
0.11277E+02 0.75444E+02 0.48060E+01 0.70378E+02 0.36341E+02 0.66857E+02
0.67200E-02 –0.36617E+00 –0.50000E-02 –0.29385E+00 –0.97119E-01 –0.28552E+00
–0.50000E-04 0.47021E-03 –0.41495E-14 0.35289E-03 0.61896E-04 0.34422E-03
308-338 310-333 293-323 243-293 204-373 243-293
Permittivity (Dielectric Constant) of Liquids
6-158 Mol. form. C6H12O C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O3 C6H12S C6H13Br C6H13Cl C6H13ClO C6H13I C6H13N C6H13NO C6H13NO C6H13NO C6H14 C6H14 C6H14 C6H14 C6H14 C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H14OS C6H14O2 C6H14O2 C6H14O2S C6H14O3 C6H14O3 C6H14O4 C6H14O6 C6H14O6 C6H14S C6H15B C6H15N C6H15N C6H15N C6H15OP C6H15O4P C6H15PS C6H16O2Si C6H16Si C6H18N3OP C6H18N4 C6H18OSi2 C6H18O3Si3
Name Cyclohexanol Hexanoic acid 2-Ethylbutanoic acid tert-Butylacetic acid Pentyl formate Isopentyl formate Butyl acetate sec-Butyl acetate tert-Butyl acetate Isobutyl acetate Propyl propanoate Ethyl butanoate Methyl pentanoate Diacetone alcohol Ethylene glycol monoethyl ether acetate Cyclohexanethiol 1-Bromohexane 1-Chlorohexane 6-Chloro-1-hexanol 1-Iodohexane Cyclohexylamine N-Propylpropanamide N-Butylacetamide** N,N-Diethylacetamide Hexane 2-Methylpentane 3-Methylpentane 2,2-Dimethylbutane 2,3-Dimethylbutane 1-Hexanol 2-Hexanol 3-Hexanol 3-Methyl-1-pentanol 3-Methyl-3-pentanol 2-Ethyl-1-butanol 2,2-Dimethyl-1-butanol Dipropyl ether Diisopropyl ether Dipropyl sulfoxide 2-Methyl-2,4-pentanediol Ethylene glycol diethyl ether Dipropyl sulfone 1,2,6-Hexanetriol Diethylene glycol dimethyl ether Triethylene glycol D-Glucitol D-Mannitol 1-Hexanethiol Triethylborane Hexylamine Dipropylamine Triethylamine Triethylphosphine oxide Triethyl phosphate Triethylphosphine sulfide Diethoxydimethylsilane Triethylsilane Hexamethylphosphoric triamide N,N´-Bis(2-aminoethyl)-1,2ethanediamine Hexamethyldisiloxane Hexamethylcyclotrisiloxane
T/K 293.2 298.2 296.2 296.2 292.2 288.2 293.2 293.2 293.2 293.2 293.2 301.2 293.2 298.2 303.2
εr 16.40 2.600 2.72 2.85 5.7 5.44 5.07 5.135 5.672 5.068 5.249 5.18 4.992 18.2 7.567
298.2 298.2 293.2 242.2 293.3 293.2 298.2 293.2 293.2 293.2 293.2 293.2 293.2 293.2 293.2 298.2 298.2 298.2 293.2 362.2 293.2 297.0 303.2 303.2 293.2 293.2 303.2 285.3 298.2 293.2 353.2 443.2 293.2 293.2 293.2 293.2 293.2 323.2 298.2 371.2 298.2 293.2 293.2 293.2
5.420 5.82 6.104 21.6 5.35 4.547 118.1 104.0 32.1 1.8865 1.886 1.886 1.869 1.889 13.03 11.06 9.66 15.2 4.322 6.19 10.5 3.38 3.805 30.37 25.86 3.90 32.62 31.5 7.23 23.69 35.5 24.6 4.436 1.974 4.08 2.923 2.418 35.5 13.20 39.0 3.216 2.323 31.3 10.76
293.2 343.2
2.179 2.139
a 0.10173E+03 0.21730E+01
b –0.43072E+00 0.14840E-02
c 0.47926E-03 –0.16526E-06
Range/K 293-423 298-433
0.29257E+02 0.13825E+02 0.12427E+02 0.55435E+02 0.14323E+02
–0.14028E+00 –0.43994E-01 –0.32035E-01 –0.30494E+00 –0.46048E-01
0.20000E-03 0.48214E-04 0.24286E-04 0.46107E-03 0.49286E-04
288-323 253-353 273-323 273-323 273-323
0.48698E+02
–0.25660E+00
0.37237E-03
301-343
0.23290E+02
–0.71566E-01
0.65000E-04
303-323
0.15233E+02 0.15994E+02 –0.73364E+01 0.16685E+02
–0.44385E-01 –0.43647E-01 0.46377E+00 –0.61309E-01
0.43039E-04 0.33393E-04 –0.14202E-02 0.77262E-04
274-328 273-323 195-242 293-323
0.58846E+03 0.70739E+03
–0.22012E+01 –0.37369E+01
0.20870E-02 0.71585E-02
298-328 253-493
0.19768E+01 0.20745E+01 0.24739E+01 0.22740E+01 0.24305E+01 0.62744E+02
0.70933E-03 0.50871E-03 –0.23190E-02 –0.96229E-03 –0.20081E-02 –0.24214E+00
–0.34470E-05 –0.39286E-05 0.10714E-05 –0.14286E-05 0.53571E-06 0.24704E-03
293-473 273-323 273-323 273-313 273-323 233-513
0.14054E+03 0.14600E+02
–0.72925E+00 –0.72670E-01
0.97821E-03 0.11742E-03
243-393 161-297
0.84868E+02 0.14531E+03 0.99099E+01 0.70195E+02 0.26127E+03 0.28291E+02 0.91845E+02
–0.23486E+00 –0.65285E+00 –0.33403E-01 –0.15008E+00 –0.14552E+01 –0.11236E+00 –0.33827E+00
0.18198E-03 0.83503E-03 0.44048E-04 0.86506E-04 0.22765E-02 0.14000E-03 0.36062E-03
303-373 203-333 223-303 303-398 261-285 298-333 253-333
0.11774E+02
–0.37298E-01
0.41875E-04
273-333
0.80244E+01 0.11376E+02 0.29205E+01
–0.16627E-01 –0.49796E-01 –0.14007E-02
0.10874E-04 0.71792E-04 –0.13469E-05
253-373 243-323 233-323
0.61230E+02
–0.26047E+00
0.33333E-03
298-333
0.95666E+02 0.50699E+02
–0.29769E+00 –0.21730E+00
0.26407E-03 0.27582E-03
283-363 213-333
0.34537E+01
–0.61530E-02
0.61544E-05
213-313
Permittivity (Dielectric Constant) of Liquids Mol. form. C6H19NSi2 C7F14 C7F16 C7H3Cl5 C7H4ClNO C7H5BrO C7H5ClO C7H5FO C7H5F3 C7H5N C7H5NO C7H6ClNO2 C7H6Cl2 C7H6Cl2 C7H6Cl2 C7H6Cl2 C7H6O C7H6O2 C7H7Br C7H7Br C7H7Br C7H7Br C7H7BrO C7H7BrO C7H7Cl C7H7Cl C7H7Cl C7H7Cl C7H7ClO C7H7ClO2S C7H7ClO3S C7H7F C7H7F C7H7F C7H7I C7H7N C7H7N C7H7NO2 C7H7NO2 C7H7NO2 C7H7NO2 C7H7NO2S C7H7NO3 C7H7NO3 C7H7NO3 C7H8 C7H8O C7H8O C7H8O C7H8O C7H8O C7H8O2 C7H8O2 C7H8O2 C7H8O2S C7H8O2S C7H8S C7H8S C7H8S C7H9N C7H9N C7H9N C7H9N
Name Hexamethyldisilazane Perfluoromethylcyclohexane Perfluoroheptane 2,3,4,5,6-Pentachlorotoluene 4-Chlorophenyl isocyanate Benzoyl bromide Benzoyl chloride Benzoyl fluoride (Trifluoromethyl)benzene Benzonitrile Phenyl isocyanate 4-Chloro-3-nitrotoluene 2,4-Dichlorotoluene 2,6-Dichlorotoluene 3,4-Dichlorotoluene (Dichloromethyl)benzene Benzaldehyde Salicylaldehyde o-Bromotoluene m-Bromotoluene p-Bromotoluene (Bromomethyl)benzene o-Bromoanisole p-Bromoanisole o-Chlorotoluene m-Chlorotoluene p-Chlorotoluene (Chloromethyl)benzene p-Chloroanisole p-Toluenesulfonyl chloride 4-Methoxybenzenesulfonyl chloride o-Fluorotoluene m-Fluorotoluene p-Fluorotoluene p-Iodotoluene 2-Vinylpyridine 4-Vinylpyridine Benzyl nitrite o-Nitrotoluene m-Nitrotoluene p-Nitrotoluene 4-Nitrothioanisole 2-Nitroanisole 3-Nitroanisole 4-Nitroanisole Toluene o-Cresol m-Cresol p-Cresol Benzyl alcohol Anisole 2-Methoxyphenol 3-Methoxyphenol 4-Methoxyphenol Ethyl thiophene-2-carboxylate Methyl phenyl sulfone Benzenemethanethiol 4-Methylbenzenethiol (Methylthio)benzene Benzylamine o-Methylaniline m-Methylaniline p-Methylaniline
T/K 294.2 298.2 289.2 293.2 288.2 293.2 293.2 293.2 298.2 293.2 293.2 301.2 301.2 301.2 301.2 293.2 293.2 293.2 293.2 293.2 293.2 293.2 303.2 303.2 293.2 293.2 293.2 293.2 293.2 343.2 314.2 298.2 298.2 298.2 308.2 293.2 293.2 298.2 293.0 303.2 331.2 346.0 293.2 318.2 338.2 296.35 298.2 298.2 298.2 303.2 294.2 298.2 298.2 333.7 293.2 373.2 298.2 323.2 303.2 293.2 298.2 298.2 333.2
6-159 εr 2.273 1.82 1.847 4.8 3.177 21.33 23.0 22.7 9.22 25.9 8.940 28.07 5.68 3.36 9.39 6.9 17.85 18.35 4.641 5.566 5.503 6.658 8.96 7.40 4.721 5.763 6.25 6.854 7.84 22.6 27.2 4.23 5.41 5.88 4.4 9.126 10.50 7.78 26.26 24.95 22.2 21.7 45.75 25.7 26.95 2.379 6.76 12.44 13.05 11.916 4.30 11.95 11.59 11.05 6.18 37.9 4.705 4.74 4.88 5.18 6.138 5.816 5.058
a 0.23358E+01
b 0.16127E-02
c –0.62078E-05
Range/K 294-333
0.40896E+01 0.84231E+02
–0.31667E-02 –0.31089E+00
0.32857E-03
288-348 283-313
0.57605E+02 0.17541E+02
–0.13354E+00 –0.29790E-01
0.87767E-04 0.15476E-05
273-453 293-353
0.35046E+02 0.51315E+02 0.10229E+02 0.11522E+02 0.10014E+02 0.18482E+02 0.12023E+02 0.74367E+01 0.11507E+02 0.13921E+02 0.20265E+01 0.17108E+02 0.64019E+01
–0.61271E-01 –0.15379E+00 –0.25050E-01 –0.24946E-01 –0.13918E-01 –0.57207E-01 –0.59116E-02 0.12648E-01 –0.31148E-01 –0.37186E-01 0.40060E-01 –0.45285E-01 0.30560E-01
0.16222E-04 0.14111E-03 0.20357E-04 0.15714E-04 –0.50000E-05 0.57321E-04 –0.13787E-04 –0.42128E-04 0.27143E-04 0.31786E-04 –0.87500E-04 0.35000E-04 –0.87500E-04
301-346 289-453 273-323 273-323 273-293 273-323 303-358 303-358 273-323 273-323 293-333 273-323 293-333
0.10420E+03 0.62492E+02
–0.41726E+00 –0.16235E+00
0.51607E-03 0.12844E-03
273-323 303-403
0.16684E+03 0.65402E+02 0.59811E+02 0.32584E+01 0.21633E+02 0.81716E+02 0.70253E+02 0.13661E+03 0.10887E+02 0.31751E+02 0.37279E+02 0.39483E+02
–0.58196E+00 –0.16460E+00 –0.10955E+00 –0.34410E-02 –0.71069E-01 –0.35039E+00 –0.28870E+00 –0.72127E+00 –0.32372E-01 –0.88173E-01 –0.12113E+00 –0.12142E+00
0.57382E-03 0.12560E-03 0.36042E-04 0.15937E-05 0.70590E-04 0.39878E-03 0.31979E-03 0.10225E-02 0.33629E-04 0.72953E-04 0.11698E-03 0.10841E-03
293-423 318-443 338-443 207-316 298-453 274-463 298-453 303-333 294-413 291-448 298-433 334-453
0.16628E+02 0.87052E+01 0.21841E+02
–0.68276E-01 –0.15347E-01 –0.97630E-01
0.94636E-04 0.95238E-05 0.13750E-03
298-358 323-358 303-343
0.10988E+02 0.13477E+02 0.78897E+01
–0.18976E-01 –0.35551E-01 –0.10196E-01
0.91958E-05 0.33135E-04 0.51190E-05
298-398 298-398 333-403
Permittivity (Dielectric Constant) of Liquids
6-160 Mol. form. C7H9N C7H9N C7H9N C7H9N C7H9N C7H9NO C7H9NO C7H9NO C7H9NO C7H10N2 C7H11Cl3O2 C7H12 C7H12 C7H12O C7H12O C7H12O C7H12O C7H12O2 C7H12O2 C7H12O2 C7H12O4 C7H12O4 C7H12O4 C7H12O5 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14Br2 C7H14Br2 C7H14Br2 C7H14Cl2 C7H14O C7H14O C7H14O C7H14O C7H14O C7H14O C7H14O C7H14O C7H14O C7H14O2 C7H14O2 C7H14O2 C7H14O2 C7H14O2 C7H14O2 C7H14O2 C7H14O2 C7H15Br C7H15Br C7H15Br C7H15Cl C7H15Cl C7H15Cl C7H15Cl C7H15I C7H15I C7H16 C7H16 C7H16 C7H16
Name N-Methylaniline 2-Ethylpyridine 4-Ethylpyridine 2,4-Dimethylpyridine 2,6-Dimethylpyridine 2,6-Dimethylpyridine-1-oxide o-Methoxyaniline m-Methoxyaniline p-Methoxyaniline 1-Methyl-1-phenylhydrazine Isopentyl trichloroacetate 1,6-Heptadiene Cycloheptene Cycloheptanone 2-Methylcyclohexanone 3-Methylcyclohexanone 4-Methylcyclohexanone Cyclohexanecarboxylic acid Cyclohexyl formate Butyl acrylate Monomethyl adipate Diethyl malonate Dimethyl glutarate 1,2,3-Propanetriol-1,3-diacetate 1-Heptene 2-Methyl-2-hexene 3-Ethyl-2-pentene Cycloheptane Methylcyclohexane 1,2-Dibromoheptane 2,3-Dibromoheptane 3,4-Dibromoheptane 1,7-Dichloroheptane 1-Heptanal 2-Heptanone 3-Heptanone 4-Heptanone 5-Methyl-2-hexanone Cyclohexanemethanol 2-Methylcyclohexanol* 3-Methylcyclohexanol* 4-Methylcyclohexanol* Heptanoic acid Pentyl acetate Isopentyl acetate Butyl propanoate Propyl butanoate Ethyl pentanoate Ethyl 3-methylbutanoate Methyl hexanoate 1-Bromoheptane 2-Bromoheptane 4-Bromoheptane 1-Chloroheptane 2-Chloroheptane 3-Chloroheptane 4-Chloroheptane 1-Iodoheptane 3-Iodoheptane Heptane 2-Methylhexane 3-Methylhexane 3-Ethylpentane
T/K 293.2 293.2 293.2 293.2 293.2 298.2 303.2 298.2 333.2 292.2 293.2 293.0 295.0 298.2 293.2 293.2 293.2 304.2 293.2 301.2 293.2 304.2 293.2 288.2 293.2 293.2 293.2 293.2 293.2 298.2 298.2 298.2 298.2 295.2 293.2 293.2 293.2 293.2 333.2 293.2 293.2 293.2 288.2 293.2 293.2 293.2 293.2 291.2 293.2 293.2 303.2 295.2 295.2 293.2 295.2 295.2 295.2 298.2 295.2 293.2 293.2 293.2 293.2
εr 5.96 8.33 10.98 9.60 7.33 46.11 5.230 8.76 7.85 7.3 7.287 2.161 2.265 13.16 14.0 12.4 12.35 2.67 6.47 5.25 6.69 7.550 7.87 9.80 2.092 2.962 2.051 2.0784 2.024 3.77 5.08 4.70 8.34 9.07 11.95 12.7 12.60 13.53 9.70 9.375 13.79 13.45 3.04 4.79 4.72 4.838 4.3 4.71 4.71 4.615 5.255 6.46 6.81 5.521 6.52 6.70 6.54 4.92 6.39 1.9209 1.9221 1.920 1.942
a
b
c
Range/K
0.36397E+02 –0.73831E+01 0.25895E+02 0.17714E+02 0.22765E+03 0.79911E+01 0.28179E+02 0.30149E+02
–0.15070E+00 0.14326E+00 –0.73900E-01 –0.39080E-01 –0.90760E+00 –0.92183E-02 –0.97840E-01 –0.10523E+00
0.18750E-03 –0.27500E-03 0.62500E-04 0.12500E-04 0.10011E-02 0.37879E-06 0.11027E-03 0.11467E-03
293-333 293-333 293-333 293-333 298-398 303-393 289-393 333-453
0.30815E+01 0.32309E+01 0.17511E+03
–0.36095E-02 –0.42373E-02 –0.11221E+01
0.16354E-05 0.32572E-05 0.19417E-02
184-293 227-363 258-298
0.38296E+02 0.11962E+02 0.14809E+02 0.20697E+02 0.28321E+02 0.21755E+01
–0.19109E+00 –0.23973E-01 –0.31207E-01 –0.57794E-01 –0.89073E-01 0.13896E-02
0.27006E-03 0.20608E-04 0.24066E-04 0.48405E-04 0.86891E-04 –0.57049E-05
301-343 293-433 304-393 293-433 258-374 273-323
0.25136E+01
–0.15089E-02
0.84915E-07
278-333
0.38348E+02
–0.12531E+00
0.12005E-03
253-413
0.41520E+02 0.52353E+02 0.10164E+03 0.17315E+03 0.65896E+02 0.65021E+02 0.36423E+01 0.12091E+02
–0.13839E+00 –0.17695E+00 –0.45839E+00 –0.98794E+00 –0.21954E+00 –0.22896E+00 –0.31996E-02 –0.36536E-01
0.13497E-03 0.15195E-03 0.54762E-03 0.14634E-02 0.14107E-03 0.17946E-03 0.39362E-05 0.39732E-04
253-393 293-333 333-368 273-323 273-323 273-323 288-423 253-353
0.15289E+02
–0.50621E-01
0.57753E-04
203-343
0.14279E+02
–0.39431E-01
0.32321E-04
273-323
0.11856E+02
–0.33493E-01
0.34368E-04
294-323
0.24740E+01 0.24759E+01 0.27089E+01 0.23771E+01
–0.22577E-02 –0.22535E-02 –0.37908E-02 –0.15140E-02
0.12428E-05 0.12500E-05 0.37500E-05 0.10093E-06
273-373 293-323 273-323 163-363
Permittivity (Dielectric Constant) of Liquids Mol. form. C7H16 C7H16 C7H16 C7H16 C7H16 C7H16O C7H16O C7H16O C7H16O C7H16O C7H16O C7H16O C7H16O C7H16O C7H16O C7H16O C7H16O3 C7H16S C7H17N C7H18O3Si C8H4F6 C8H6 C8H6Cl2 C8H6Cl4 C8H6Cl4 C8H6O C8H7N C8H7NO2 C8H7NO4 C8H8 C8H8O C8H8O2 C8H8O2 C8H8O2 C8H8O2 C8H8O2 C8H8O2 C8H8O3 C8H9Br C8H9Br C8H9Br C8H9BrO C8H9Cl C8H9Cl C8H9Cl C8H9NO2 C8H9NO2 C8H9NO2 C8H10 C8H10 C8H10 C8H10 C8H10O C8H10O C8H10O C8H10O C8H10O C8H10O C8H10O C8H10O C8H10O
Name 2,2-Dimethylpentane 2,3-Dimethylpentane 2,4-Dimethylpentane 3,3-Dimethylpentane 2,2,3-Trimethylbutane 1-Heptanol 2-Heptanol 3-Heptanol 4-Heptanol 2-Methyl-2-hexanol 3-Methyl-2-hexanol 3-Methyl-3-hexanol 3-Ethyl-3-pentanol 2,2-Dimethyl-1-pentanol Ethyl pentyl ether Ethyl isopentyl ether Triethoxymethane 1-Heptanethiol Heptylamine Triethoxymethylsilane 1,3-Bis(trifluoromethyl)benzene Phenylacetylene 2,5-Dichlorostyrene 1,2,3,4-Tetrachloro-5,6dimethylbenzene 1,2,3,5-Tetrachloro-4,6dimethylbenzene Phenoxyacetylene Benzeneacetonitrile 4-Methoxyphenyl isocyanate Methyl 2-nitrobenzoate Styrene Acetophenone Benzeneacetic acid Benzyl formate Phenyl acetate Methyl benzoate (Hydroxyacetyl)benzene 4-Methoxybenzaldehyde Methyl salicylate 1-Bromo-2-ethylbenzene 1-Bromo-3-ethylbenzene 1-Bromo-4-ethylbenzene 1-Bromo-2-ethoxybenzene 1-Chloro-2-ethylbenzene 1-Chloro-3-ethylbenzene 1-Chloro-4-ethylbenzene 1-Ethyl-2-nitrobenzene Methyl 2-aminobenzoate Ethyl 4-pyridinecarboxylate Ethylbenzene o-Xylene m-Xylene p-Xylene 2,3-Xylenol 2,4-Xylenol 2,5-Xylenol 2,6-Xylenol 3,4-Xylenol 3,5-Xylenol Benzeneethanol 1-Phenylethanol Phenetole
6-161
T/K 293.2 293.2 293.2 291.3 293.2 293.2 293.7 296.1 296.2 297.0 297.2 298.2 293.2 293.2 296.2 293.2 293.2 293.2 293.2 298.2 303.2 298.2 298.2 293.2
εr 1.915 1.929 1.902 1.9419 1.930 11.75 9.72 7.07 6.18 3.257 4.990 3.248 3.158 6.020 3.6 3.955 4.779 4.194 3.81 3.845 5.98 2.98 2.58 8.0
293.2
5.4
298.2 299.2 333.2 300.1 293.2 298.2 353.2 303.2 298.2 302.7 298.2 303.2 314.4 298.2 298.2 298.2 313.2 298.2 298.2 298.2 273.4 298.2 293.2 293.2 293.2 293.2 293.2 343.2 303.2 338.2 313.2 333.2 323.2 293.2 293.2 293.2
4.76 17.87 10.26 27.76 2.4737 17.44 3.47 6.34 5.403 6.642 21.33 22.0 8.80 5.55 5.56 5.42 7.04 4.36 5.18 5.16 21.9 21.9 8.95 2.4463 2.562 2.359 2.2735 4.81 5.060 5.36 4.90 9.02 9.06 12.31 8.77 4.216
a 0.23414E+01 0.25637E+01 0.23979E+01 0.24007E+01
b –0.14362E-02 –0.26328E-02 –0.17436E-02 –0.16802E-02
c –0.51322E-07 0.16071E-05 0.17857E-06 0.36069E-06
Range/K 153-353 273-323 273-323 291-322
0.60662E+02 0.10050E+03 0.19586E+03 0.28995E+03
–0.24049E+00 –0.49793E+00 –0.11465E+01 –0.18499E+01
0.25155E-03 0.64504E-03 0.17175E-02 0.30109E-02
239-513 207-365 248-349 270-301
0.59724E+02
–0.32417E+00
0.47058E-03
244-372
0.37318E+02
–0.17095E+00
0.22022E-03
283-393
0.66541E+01
–0.55450E-02
–0.12500E-04
293-323
0.71333E+01 0.87794E+01
–0.97320E-02 –0.24363E-01
–0.12500E-05 0.25325E-04
273-333 253-373
0.82175E+02 0.20780E+02
–0.37416E+00 –0.31571E-01
0.53220E-03
299-343 333-403
0.44473E+01 0.26099E+02 0.24104E+01 0.26162E+02 0.11327E+02 0.17486E+02 0.42286E+02
–0.11422E-01 0.64048E-02 0.30000E-02 –0.11026E+00 –0.26707E-01 –0.51027E-01 –0.69215E-01
0.16000E-04 –0.11905E-03 0.14787E-03 0.22938E-04 0.50222E-04 –0.35714E-05
293-313 298-333 353-393 303-358 298-404 303-393 298-368
0.20501E+02
–0.39045E-01
0.68298E-05
223-398
0.23146E+02
–0.75753E-01
0.77778E-04
313-358
0.35969E+01 0.36163E+01 0.28421E+01 0.23140E+01 0.14399E+02 0.22125E+02 0.18049E+02 0.12284E+02 0.54423E+02 0.54251E+02 0.12170E+03 0.32971E+02 –0.15043E+02
–0.53169E-02 –0.40177E-02 –0.10191E-02 0.97221E-03 –0.41438E-01 –0.85543E-01 –0.54991E-01 –0.32996E-01 –0.21153E+00 –0.21647E+00 –0.63124E+00 –0.12042E+00 0.13752E+00
0.47500E-05 0.14286E-05 –0.21429E-05 –0.37500E-05 0.39244E-04 0.96548E-04 0.51656E-04 0.29867E-04 0.22508E-03 0.23542E-03 0.87776E-03 0.12809E-03 –0.24500E-03
293-323 273-323 273-323 293-363 343-433 303-363 338-455 313-453 333-453 323-453 278-333 293-423 293-313
Permittivity (Dielectric Constant) of Liquids
6-162 Mol. form. C8H10O C8H10O C8H10O C8H10O2 C8H10O2 C8H10O2 C8H10O2S C8H10S C8H11N C8H11N C8H11N C8H11N C8H11NO C8H12N2O2 C8H12O4 C8H12O4 C8H14 C8H14 C8H14 C8H14 C8H14O2 C8H14O2 C8H14O3 C8H14O3 C8H14O4 C8H14O4 C8H14O4 C8H15N C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16Br2 C8H16Cl2 C8H16O C8H16O C8H16O2 C8H16O2 C8H16O2 C8H16O2 C8H16O2 C8H16O2 C8H16O2 C8H16O2 C8H16O2 C8H16O3 C8H17Br C8H17Br C8H17Cl C8H17Cl C8H17F C8H17I C8H17NO2 C8H18 C8H18 C8H18 C8H18 C8H18
Name 2-Methylanisole 3-Methylanisole 4-Methylanisole 1,2-Dimethoxybenzene 1,3-Dimethoxybenzene 1,4-Dimethoxybenzene Ethyl phenyl sulfone (Ethylthio)benzene p-Ethylaniline N-Ethylaniline N,N-Dimethylaniline 2,4,6-Trimethylpyridine 4-Ethoxyaniline Hexamethylene diisocyanate Diethyl maleate Diethyl fumarate 1,7-Octadiene cis-Cyclooctene 1,2-Dimethylcyclohexene 1,3-Dimethylcyclohexene Methyl cyclohexanecarboxylate Cyclohexyl acetate Butanoic anhydride 2-Methylpropanoic anhydride Diisopropyl oxalate Diethyl succinate Dimethyl adipate Octanenitrile 1-Octene cis-3-Octene trans-3-Octene cis-4-Octene trans-4-Octene 3-Methyl-2-heptene* 2,5-Dimethyl-2-hexene 2,4,4-Trimethyl-1-pentene Cyclooctane 1,8-Dibromooctane 1,8-Dichlorooctane 2-Octanone 3-Octanone Octanoic acid 2-Ethylhexanoic acid Hexyl acetate Pentyl propanoate Isopentyl propanoate Butyl butanoate Propyl pentanoate Ethyl hexanoate Methyl heptanoate Isopentyl lactate 1-Bromooctane 2-Bromooctane 1-Chlorooctane 2-Chlorooctane 1-Fluorooctane 1-Iodooctane 1-Nitrooctane Octane 2-Methylheptane 3-Ethylhexane 2,2-Dimethylhexane 2,5-Dimethylhexane
T/K 293.2 293.2 293.2 293.2 298.2 333.7 348.2 298.2 298.2 293.2 298.2 298.2 298.2 288.2 298.2 296.2 293.0 296.0 296.0 296.0 293.2 293.2 293.2 292.2 293.2 293.2 293.2 293.2 293.2 298.2 298.2 298.2 298.2 293.2 293.2 298.2 295.0 298.2 298.2 293.2 303.2 288.2 296.2 293.2 293.2 273.2 298.2 292.2 293.2 293.2 273.2 293.2 293.2 298.2 293.2 293.2 293.2 293.2 293.2 293.2 293.2 293.2 293.95
εr 3.502 3.967 3.914 4.45 5.363 5.60 39.0 4.95 4.84 5.87 4.90 7.807 7.43 14.41 7.560 6.56 2.186 2.306 2.144 2.182 4.87 5.08 12.8 13.6 6.403 6.098 6.84 13.90 2.113 2.062 2.002 2.053 2.004 2.436 2.431 2.0908 2.116 7.43 7.64 9.51 10.50 2.85 2.64 4.42 4.552 5.21 4.39 4.0 4.45 4.355 11.2 5.0957 5.44 5.05 5.42 3.89 4.67 11.46 1.948 1.9519 1.9617 1.9498 1.9619
a 0.50825E+01 0.12830E+02 0.86608E+01 0.74604E+01 0.11911E+02 0.11289E+02
b –0.62297E-02 –0.49701E-01 –0.23510E-01 –0.13445E-01 –0.30804E-01 –0.20765E-01
c 0.28571E-05 0.66429E-04 0.25000E-04 0.10737E-04 0.29643E-04 0.11987E-04
Range/K 293-333 293-333 293-333 293-443 298-358 334-463
0.84052E+01 0.20990E+02
–0.13549E-01 –0.57419E-01
0.62835E-05 0.44286E-04
289-453 298-358
0.26715E+02 0.13953E+02
–0.42696E-01 –0.21969E-01
0.17817E-05
288-403 298-343
0.28376E+01 0.31115E+01 0.26443E+01 0.29951E+01
–0.17442E-02 –0.32058E-02 –0.17973E-02 –0.34615E-02
–0.16141E-05 0.16713E-05 0.35815E-06 0.24026E-05
214-293 269-406 211-374 213-373
0.10709E+02 0.80213E+01 0.11739E+02
–0.16328E-01 0.11810E-02 –0.17281E-01
0.56000E-05 –0.26400E-04 0.11447E-05
293-368 293-343 293-433
0.24348E+01
0.34200E-03
–0.50000E-05
273-323
0.25036E+01 0.94117E+00
–0.12460E-02 0.61520E-01
–0.23175E-06 –0.13333E-03
295-411 298-328
–0.16219E+02
0.18799E+00
–0.34156E-03
293-333
0.29391E+01
–0.38721E-03
0.17665E+02 0.79684E+01
–0.71718E-01 –0.12000E-01
0.95635E-04 0.15266E-13
273-373 298-318
0.11007E+02
–0.32800E-01
0.35714E-04
253-353
0.48649E+02 0.12404E+02
–0.21253E+00 –0.35050E-01
0.27619E-03 0.34542E-04
273-373 283-353
0.11346E+02
–0.25120E-01
0.13450E-04
274-328
0.12452E+02
–0.41229E-01
0.50108E-04
233-313
0.22590E+01
–0.84212E-03
–0.75758E-06
233-393
0.25821E+01
–0.26804E-02
0.19404E-05
294-324
288-423
Permittivity (Dielectric Constant) of Liquids Mol. form. C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18O C8H18OS C8H18O2 C8H18O2S C8H18O4 C8H18O5 C8H18S C8H18S C8H19N C8H19N C8H20O4Si C8H20Si C8H20Sn C8H23N5 C8H24O4Si4 C9H6N2O2 C9H6O2 C9H7N C9H7N C9H8O C9H8O4 C9H10 C9H10 C9H10 C9H10OS C9H10O2 C9H10O2 C9H10O2 C9H10O2 C9H10O2 C9H10O3 C9H10O3
Name 3,3-Dimethylhexane 3,4-Dimethylhexane 3-Ethyl-3-methylpentane 2,2,3-Trimethylpentane 2,2,4-Trimethylpentane 2,3,3-Trimethylpentane 2,3,4-Trimethylpentane 1-Octanol 2-Octanol 3-Octanol 4-Octanol 2-Methyl-1-heptanol 3-Methyl-1-heptanol 4-Methyl-1-heptanol 5-Methyl-1-heptanol 6-Methyl-1-heptanol 2-Methyl-2-heptanol 3-Methyl-2-heptanol 4-Methyl-2-heptanol 5-Methyl-2-heptanol 6-Methyl-2-heptanol 2-Methyl-3-heptanol 3-Methyl-3-heptanol 4-Methyl-3-heptanol 5-Methyl-3-heptanol 6-Methyl-3-heptanol 2-Methyl-4-heptanol 3-Methyl-4-heptanol 4-Methyl-4-heptanol 2-Ethyl-1-hexanol 2,2-Dimethyl-1-hexanol Dibutyl ether Dibutyl sulfoxide 2-Ethyl-1,3-hexanediol Dibutyl sulfone Triethylene glycol dimethyl ether Tetraethylene glycol 1-Octanethiol Dibutyl sulfide Octylamine Dibutylamine Ethyl silicate Tetraethylsilane Tetraethylstannane Tetraethylenepentamine Octamethylcyclotetrasiloxane Toluene-2,4-diisocyanate 2H-1-Benzopyran-2-one Quinoline Isoquinoline Cinnamaldehyde 2-(Acetyloxy)benzoic acid 1-Propenylbenzene Allylbenzene Isopropenylbenzene 4-Acetylthioanisole Ethyl benzoate Methyl 4-methylbenzoate Benzyl acetate Phenyl propanoate 4-Acetylanisole Ethyl salicylate Methyl 2-methoxybenzoate
T/K 293.2 292.1 291.49 293.2 293.2 293.2 293.2 293.2 293.2 293.2 293.2 293.1 290.3 290.6 290.4 290.3 292.2 289.6 290.0 278.5 290.1 293.2 293.2 293.2 293.2 293.2 296.3 290.0 296.2 298.2 293.2 293.2 313.2 293.2 323.2 298.2 293.2 293.2 298.2 293.2 293.2 293.2 293.2 293.2 293.2 296.2 293.2 343.2 293.2 298.2 305.8 333.2 293.2 293.2 293.2 355.2 293.2 306.2 303.2 293.2 313.2 308.2 294.2
6-163 εr 1.9645 1.9814 1.9869 1.960 1.943 1.9780 1.9738 10.30 8.13 5.55 4.48 5.16 2.884 4.63 7.68 10.54 3.43 7.47 3.59 7.5 6.41 3.260 3.013 3.312 3.832 4.992 3.338 7.46 2.902 7.58 4.50 3.0830 24.73 18.73 25.72 7.62 20.44 3.949 4.29 3.58 2.765 2.50 2.090 2.241 9.40 2.390 8.433 34.04 9.16 11.0 17.72 6.55 2.73 2.63 2.28 11.34 6.20 4.3 5.34 4.77 17.3 8.48 7.7
a
b
c
Range/K
0.26849E+01 0.25983E+01
–0.33712E-02 –0.28027E-02
0.32949E-05 0.24195E-05
292-324 292-324
0.23677E+01
–0.14768E-02
0.94261E-07
173-373
0.51647E+02 0.63760E+02 0.12505E+03 0.51049E+02 0.61698E+02 0.84687E+01 0.48612E+02 0.54581E+02 0.57997E+02
–0.20371E+00 –0.27643E+00 –0.70646E+00 –0.26664E+00 –0.33647E+00 –0.33712E-01 –0.26773E+00 –0.24772E+00 –0.23517E+00
0.21320E-03 0.31075E-03 0.10245E-02 0.37280E-03 0.49066E-03 0.49793E-04 0.39972E-03 0.29734E-03 0.24663E-03
258-513 213-513 223-383 243-403 236-328 241-316 237-332 235-328 265-328
0.39178E+02 0.39715E+02 0.68568E+02 0.77520E+02 –0.59739E+01 –0.38440E+01 –0.48003E+01 0.61967E+01 0.23037E+02 0.42102E+00 0.33354E+02
–0.17976E+00 –0.23115E+00 –0.40706E+00 –0.41724E+00 0.56700E-01 0.42327E-01 0.50740E-01 –0.63750E-02 –0.98029E-01 0.10427E-01 –0.14077E+00
0.24218E-03 0.36771E-03 0.67433E-03 0.59448E-03 –0.83125E-04 –0.61250E-04 –0.75000E-04 0.12479E-03 –0.20438E-05 0.17750E-03
229-329 240-333 230-279 239-329 343-403 343-403 343-403 343-383 283-383 230-333 230-330
0.86074E+02 0.91244E+01 0.65383E+01 0.67156E+02 0.57919E+02 0.66248E+02
–0.42636E+00 –0.21785E-01 –0.16172E-01 –0.16448E+00 –0.17128E+00 –0.16417E+00
0.55078E-03 0.21018E-04 0.14969E-04 0.92275E-04 0.12949E-03 0.12001E-03
208-318 283-393 293-314 313-393 233-333 323-398
0.83547E+02 0.63667E+01
–0.31691E+00 –0.87920E-02
0.34689E-03 0.18750E-05
253-333 273-333
0.77931E+01 0.52504E+01
–0.20015E-01 –0.10538E-01
0.19347E-04 0.71485E-05
273-373 243-323
0.40553E+02 0.36286E+01 0.22174E+02 0.11311E+03 0.33432E+02 0.14412E+03 0.41837E+02 0.69994E+01
–0.16681E+00 –0.56885E-02 –0.66982E-01 –0.33804E+00 –0.13497E+00 –0.79935E+00 –0.11060E+00 –0.14553E-02
0.20659E-03 0.50874E-05 0.68571E-04 0.31324E-03 0.17788E-03 0.11839E-02 0.10401E-03
213-333 296-333 293-353 343-423 258-323 298-323 306-354 333-416
0.18216E+02
–0.62361E-01
0.72884E-04
288-343
0.11727E+02
–0.30869E-01
0.32340E-04
303-358
0.18910E+02
–0.35623E-01
0.46529E-05
225-321
Permittivity (Dielectric Constant) of Liquids
6-164 Mol. form. C9H11Br C9H11NO C9H11NO C9H11NO2 C9H12 C9H12 C9H12 C9H12 C9H12 C9H12 C9H12 C9H12 C9H12O C9H12O C9H12O C9H12O C9H12O C9H12O C9H12O C9H12O2S C9H12S C9H13N C9H13N C9H13N C9H13N C9H14OSi C9H14O6 C9H14Si C9H16O2 C9H16O2 C9H16O2 C9H16O4 C9H17N C9H18 C9H18Br2 C9H18O C9H18O C9H18O C9H18O C9H18O2 C9H18O2 C9H18O2 C9H18O2 C9H18O2 C9H18O2 C9H18O2 C9H18O2 C9H19Br C9H19Cl C9H19NO C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20N2O C9H20O C9H20O C9H20O C9H20O C9H20O C9H21B
Name (3-Bromopropyl)benzene N-Ethylbenzamide N,N-Dimethylbenzamide Ethyl 2-aminobenzoate Propylbenzene Isopropylbenzene o-Ethyltoluene m-Ethyltoluene p-Ethyltoluene 1,2,3-Trimethylbenzene 1,2,4-Trimethylbenzene 1,3,5-Trimethylbenzene Benzenepropanol α-Ethylbenzenemethanol α,α-Dimethylbenzenemethanol 1-Phenyl-2-propanol Benzyl ethyl ether 2,6-Dimethylanisole 3,5-Dimethylanisole Butyl thiophene-2-carboxylate Benzenepropanethiol Benzylethylamine N-Propylaniline 2-Methyl-N,N-dimethylaniline 4-Methyl-N,N-dimethylaniline Trimethylphenoxysilane Triacetin Trimethylphenylsilane 2-Nonenoic acid Cyclohexyl propanoate Ethyl cyclohexanecarboxylate Diethyl glutarate Nonanenitrile 1-Nonene 1,9-Dibromononane 2-Nonanone 5-Nonanone Di-tert-butyl ketone 2,6-Dimethyl-4-heptanone Nonanoic acid 2-Methyloctanoic acid 2-Ethylheptanoic acid Heptyl acetate Pentyl butanoate Isopentyl butanoate Isobutyl pentanoate Methyl octanoate 1-Bromononane 1-Chlorononane N,N-Dibutylformamide Nonane 2-Methyloctane 4-Methyloctane 2,4-Dimethylheptane 2,5-Dimethylheptane 2,6-Dimethylheptane Tetraethylurea 1-Nonanol 2-Nonanol 3-Nonanol 4-Nonanol 5-Nonanol Tripropylborane
T/K 302.2 352.7 318.2 298.2 293.2 293.2 293.2 293.2 293.2 293.2 293.2 293.2 293.2 293.2 303.2 293.2 298.2 293.2 293.2 293.2 303.2 293.2 293.2 293.2 293.2 298.2 293.6 298.2 296.2 293.2 293.2 303.2 293.2 293.2 293.2 295.2 293.2 287.65 293.2 294.9 293.2 293.2 293.2 301.2 293.2 292.2 293.2 298.2 293.2 293.2 293.2 293.2 293.2 293.2 293.2 293.2 296.8 293.2 298.2 298.2 298.2 298.2 293.2
εr 5.41 42.6 20.77 4.14 2.370 2.381 2.595 2.365 2.265 2.656 2.377 2.279 11.97 6.68 5.61 9.35 3.90 3.780 3.711 6.40 4.36 4.3 5.48 3.4 3.9 3.3953 7.11 2.3533 2.5 4.82 4.64 6.659 12.08 2.180 7.153 9.14 10.6 10.0 9.91 2.475 2.39 1.98 4.2 4.08 4.0 3.8 4.101 4.74 4.803 18.4 1.9722 1.967 1.967 1.89 1.89 1.987 14.29 8.83 6.66 4.49 3.69 3.54 2.026
a 0.11360E+02 –0.20109E+03 0.76725E+02
b –0.27471E-01 0.17866E+01 –0.26908E+00
c 0.25775E-04 –0.31065E-02 0.29409E-03
Range/K 302-358 353-389 318-443
0.26933E+01 0.31149E+01
0.21679E-03 –0.30801E-02
–0.44643E-05 0.19643E-05
273-323 273-323
0.76006E+01 0.31517E+01 0.38998E+01 0.94482E+02 0.44520E+02 0.57072E+01 0.10762E+03
–0.29118E-01 –0.30634E-02 –0.88072E-02 –0.45540E+00 –0.21505E+00 0.86568E-02 –0.56026E+00
0.41786E-04 0.14286E-05 0.11149E-04 0.59307E-03 0.29443E-03 –0.29580E-04 0.76915E-03
273-323 273-323 288-358 213-303 233-373 303-373 233-373
0.76700E+01 0.54981E+01
–0.18298E-01 –0.56651E-02
0.17143E-04 –0.14286E-05
293-333 293-333
0.82411E+01
–0.15034E-01
0.73617E-05
303-358
0.17819E+02 0.21463E+01
–0.53656E-01 0.32711E-02
0.57759E-04 –0.86264E-05
219-304 288-323
0.22710E+01 0.18931E+02
0.15797E-02 –0.57764E-01
–0.64286E-05 0.60000E-04
273-323 293-343
0.33178E+02 0.25039E+01
–0.11290E+00 0.67274E-03
0.11454E-03 –0.24180E-05
273-393 295-365
0.59029E+01
–0.49905E-02
–0.34292E-05
301-343
0.79870E+01 0.95528E+01
–0.10488E-01 –0.16200E-01
–0.13450E-05 –0.16365E-13
274-328 293-323
0.23894E+01
–0.14830E-02
0.14881E-06
253-393
0.52820E+02 0.97467E+02 0.10136E+03 0.55214E+02 0.27954E+01 –0.25463E+01
–0.18790E+00 –0.51103E+00 –0.55612E+00 –0.31920E+00 0.30000E-02 0.35320E-01
0.19580E-03 0.71429E-03 0.80000E-03 0.50000E-03 –0.52375E-13 –0.50000E-04
205-411 288-343 288-308 288-308 288-308 288-308
Permittivity (Dielectric Constant) of Liquids Mol. form. C9H21N C9H21N C9H21O4P C10H7Br C10H7Cl C10H7NO2 C10H8 C10H8O C10H8O C10H9N C10H9N C10H9N C10H9N C10H9N C10H9N C10H10O4 C10H10O4 C10H12 C10H12 C10H12 C10H12O C10H12O C10H12O2 C10H12O2 C10H12O2 C10H12O2 C10H12O2 C10H12O2 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14N2 C10H14O C10H14O C10H14O C10H15N C10H16 C10H16 C10H16 C10H16 C10H16 C10H16 C10H16 C10H16 C10H16O C10H16O C10H17Cl C10H18 C10H18 C10H18 C10H18O C10H18O2 C10H18O4 C10H20 C10H20
Name Nonylamine Tripropylamine Tripropyl phosphate 1-Bromonaphthalene 1-Chloronaphthalene 1-Nitronaphthalene Naphthalene 1-Naphthol 2-Naphthol 1-Naphthylamine 2-Naphthylamine 2-Methylquinoline 4-Methylquinoline 6-Methylquinoline 8-Methylquinoline Methyl 2-(acetyloxy)benzoate Dimethyl phthalate 1,2,3,4-Tetrahydronaphthalene 4-Ethylstyrene Dicyclopentadiene Tetrahydro-2-naphthol* 4-Isopropylbenzaldehyde 4-Allyl-2-methoxyphenol 2-Phenylethyl acetate Benzyl propanoate Phenyl butanoate Propyl benzoate Ethyl phenylacetate Butylbenzene sec-Butylbenzene tert-Butylbenzene Isobutylbenzene 1-Isopropyl-4-methylbenzene o-Diethylbenzene m-Diethylbenzene p-Diethylbenzene 1-Ethyl-3,5-dimethylbenzene 1,2,3,4-Tetramethylbenzene 1,2,4,5-Tetramethylbenzene L-Nicotine 1-Phenyl-2-methyl-2-propanol Butyl phenyl ether Thymol N,N-Diethylaniline γ-Terpinene d-Limonene l-Limonene Terpinolene α-Pinene β-Pinene α-Terpinene β-Myrcene Carvenone d-Fenchone 2-Chlorobornane Pinane cis-Decahydronaphthalene trans-Decahydronaphthalene Eucalyptol Cyclohexyl butanoate Diethyl adipate 1-Decene cis-5-Decene
T/K 293.2 293.2 293.2 298.2 298.2 333.2 363.2 373.0 413.0 333.2 393.0 293.2 293.2 293.2 293.2 328.9 293.2 298.2 298.2 313.2 293.2 288.2 293.2 297.2 303.0 293.2 303.2 293.2 293.2 293.2 293.2 293.2 298.2 293.2 293.2 293.2 293.2 296.0 356.0 293.2 298.2 293.2 333.2 303.2 298.2 298.2 298.2 298.2 298.2 298.2 298.2 298.2 293.2 294.2 368.2 298.2 293.2 293.2 298.2 293.2 293.2 293.2 298.2
6-165 εr 3.42 2.380 10.93 4.768 5.04 19.68 2.54 5.03 4.95 5.20 5.26 7.24 9.31 8.48 6.58 5.31 8.66 2.771 3.350 2.43 11.70 10.68 9.55 4.93 5.11 4.48 5.78 5.320 2.359 2.357 2.359 2.318 2.2322 2.594 2.369 2.259 2.275 2.538 2.223 8.937 5.71 3.734 4.259 5.15 2.2738 2.3746 2.3738 2.2918 2.1787 2.4970 2.4526 2.3 18.8 12.8 5.21 2.1456 2.219 2.184 4.57 4.58 6.109 2.136 2.071
a 0.53575E+01 0.33380E+01 0.33166E+02 0.10561E+02 0.84861E+01 0.36267E+02
b –0.71982E-02 –0.86332E-02 –0.10514E+00 –0.27671E-01 –0.12357E-01 –0.41283E-01
c 0.19481E-05 0.18322E-04 0.10000E-03 0.27655E-04 0.26899E-05 –0.25595E-04
Range/K 293-373 243-293 293-373 293-323 274-328 333-403
0.16489E+02 0.92865E+01 0.10577E+02 0.19722E+02 0.11688E+02 0.17788E+02 0.21696E+02 0.19356E+02 0.19579E+02
–0.46700E-01 –0.10500E-01 –0.22114E-01 –0.60679E-01 –0.78400E-02 –0.32580E-01 –0.63400E-01 –0.61900E-01 –0.69970E-01
0.42857E-04 0.42501E-15 0.17857E-04 0.60714E-04 –0.25000E-04 0.12500E-04 0.62500E-04 0.62500E-04 0.80889E-04
373-453 413-453 333-453 393-473 293-333 293-333 293-333 293-333 329-371
0.29172E+01
0.12832E-02
–0.59453E-05
298-343
0.30564E+01 0.98978E+02
–0.20000E-02 –0.48267E+00
0.82443E-15 0.63008E-03
313-373 293-363
0.52377E+02
–0.24380E+00
0.33333E-03
273-323
0.42301E+01
0.13962E-01
–0.36426E-04
303-358
0.10927E+02
–0.20535E-01
0.11745E-04
303-358
0.28348E+01 0.27924E+01 0.28055E+01 0.25266E+01
–0.68586E-03 –0.38350E-03 –0.92614E-03 –0.25121E-03
–0.32143E-05 –0.37500E-05 –0.25000E-05 –0.24867E-05
273-323 273-323 273-323 277-333
0.33822E+01 0.26834E+01 0.21347E+02 0.21922E+02
–0.33630E-02 –0.10327E-02 –0.57177E-01 –0.84231E-01
0.17475E-05 –0.73533E-06 0.50655E-04 0.99475E-04
273-412 356-430 293-363 298-423
0.50773E+01
0.15399E-01
–0.50000E-04
303-328
0.25410E+01 0.26615E+01
–0.11420E-02 –0.21241E-02
0.15092E-06 0.16864E-05
293-373 293-373
0.14824E+02 0.19091E+01
–0.40749E-01 0.33442E-02
0.37600E-04 –0.87500E-05
293-343 273-323
Permittivity (Dielectric Constant) of Liquids
6-166 Mol. form. C10H20 C10H20 C10H20 C10H20Br2 C10H20Cl2 C10H20O C10H20O C10H20O2 C10H20O2 C10H20O2 C10H20O2 C10H20O2 C10H20O2 C10H20O2 C10H21Br C10H21Cl C10H21NO C10H22 C10H22 C10H22 C10H22O C10H22O C10H22O C10H22O C10H22O C10H22O C10H22O C10H22O C10H22OS C10H22O5 C10H22S C10H23N C10H30O3Si4 C10H30O5Si5 C11H10 C11H10 C11H10O C11H10O C11H12O2 C11H12O3 C11H14O2 C11H14O2 C11H14O2 C11H14O2 C11H16 C11H16 C11H22 C11H22O C11H22O2 C11H22O2 C11H23Br C11H24 C11H24O C11H25N C12F27N C12H8O C12H10 C12H10N2O C12H10O C12H10O C12H10OS C12H10O2S C12H10S
Name trans-5-Decene 5-Methyl-4-nonene 2,4,6-Trimethyl-3-heptene 1,10-Dibromodecane 1,10-Dichlorodecane 2-Decanone Menthol 2,2-Dimethyloctanoic acid Octyl acetate 2-Methylheptyl acetate Pentyl pentanoate Isopentyl pentanoate Isopentyl isopentanoate Methyl nonanoate 1-Bromodecane 1-Chlorodecane N,N-Dibutylacetamide Decane 2,7-Dimethyloctane 4-Propylheptane 1-Decanol 2-Decanol 3-Decanol 4-Decanol 5-Decanol 2,2-Dimethyl-1-octanol Dipentyl ether Diisopentyl ether Dipentyl sulfoxide Tetraethylene glycol dimethyl ether Dipentyl sulfide Decylamine Decamethyltetrasiloxane Decamethylcyclopentasiloxane 1-Methylnaphthalene 2-Methylnaphthalene 1-Methoxynaphthalene 2-Methoxynaphthalene Ethyl trans-cinnamate Ethyl benzoylacetate Benzyl butanoate Phenyl pentanoate Butyl benzoate Isobutyl benzoate 1,3-Diethyl-5-methylbenzene Pentamethylbenzene 1-Undecene 2-Undecanone Nonyl acetate Pentyl hexanoate 1-Bromoundecane Undecane 1-Undecanol Undecylamine Tris(perfluorobutyl)amine Dibenzofuran Biphenyl trans-Azoxybenzene Diphenyl ether 2-Acetonaphthone Diphenyl sulfoxide Diphenyl sulfone Diphenyl sulfide
T/K 298.2 293.2 293.2 303.2 308.2 287.2 309.3 296.2 288.2 288.2 305.6 292.2 288.2 293.2 298.2 293.2 293.2 293.2 293.2 293.2 293.2 298.2 298.2 298.2 298.2 293.2 298.2 293.2 348.2 298.2 298.2 293.2 293.2 293.2 293.2 313.2 293.2 353.2 293.2 303.2 301.2 293.2 303.2 291.2 293.2 334.0 293.2 285.3 293.2 288.2 272.6 293.2 313.2 293.2 293.2 373.2 348.2 311.2 283.2 333.2 344.7 406.2 298.2
εr 2.030 2.175 2.293 6.56 6.68 8.3 3.90 2.8 4.18 4.27 4.076 3.6 4.39 3.943 4.44 4.581 19.1 1.9853 1.98 1.9955 7.93 5.82 4.05 3.42 3.24 7.86 2.798 2.817 18.8 7.68 3.826 3.31 2.370 2.50 2.915 2.747 4.020 3.563 5.63 13.50 4.55 4.30 5.52 5.39 2.264 2.358 2.137 8.3 3.87 4.22 4.61 1.9972 5.98 3.25 2.15 3.00 2.53 5.2 3.726 13.03 16.6 21.1 5.43
a
b
c
Range/K
0.17350E+02 –0.57423E+01
–0.50328E-01 0.94220E-01
0.48633E-04 –0.17500E-03
303-368 308-338
0.68202E+01
–0.15894E-01
0.20837E-04
309-358
–0.34691E+01 0.23285E+02 0.77641E+01
0.58106E-01 –0.11538E+00 –0.14335E-01
–0.10952E-03 0.17143E-03 0.73740E-05
288-323 288-323 306-393
0.14698E+02
–0.57726E-01
0.76190E-04
288-323
0.11202E+02 0.68741E+01
–0.33491E-01 –0.12210E-02
0.36314E-04 –0.22500E-04
274-328 293-323
0.24054E+01
–0.15445E-02
0.44643E-06
253-393
0.47195E+02 0.13621E+03 0.52090E+02 –0.11260E+02 –0.25832E+01 0.69536E+02
–0.20740E+00 –0.81000E+00 –0.31020E+00 0.93960E-01 0.31456E-01 –0.34596E+00
0.24942E-03 0.12500E-02 0.50000E-03 –0.15000E-03 –0.40000E-04 0.46250E-03
293-343 288-308 288-308 288-308 288-308 293-333
0.44690E+01
–0.63710E-02
0.25000E-05
293-323
0.61497E+01
–0.12801E-01
0.10606E-04
293-373
0.45126E+01
–0.76480E-02
0.75000E-05
293-333
0.71885E+01 0.56702E+01
–0.14838E-01 –0.69754E-02
0.13750E-04 0.28571E-05
293-333 353-373
0.93644E+01
0.74280E-01
–0.20000E-03
303-323
0.77854E+01
–0.34972E-02
–0.13149E-04
303-358
0.30196E+01 0.22132E+01
–0.22619E-02 0.13121E-02
0.83831E-06 –0.53571E-05
334-413 273-323
0.83503E+01
–0.18449E-01
0.14286E-04
288-323
0.23637E+01
–0.12500E-02
–0.85869E-16
283-363
0.54945E+01
–0.96161E-02
0.66017E-05
293-373
0.26869E+01
0.63072E-03
–0.30995E-05
348-428
0.14538E+03
–0.73040E+00
0.10000E-02
333-363
Permittivity (Dielectric Constant) of Liquids Mol. form. C12H11N C12H11NO C12H12 C12H12O C12H14O2 C12H14O4 C12H16O C12H16O C12H16O2 C12H16O3 C12H16O3 C12H17NO C12H18 C12H18 C12H18 C12H20O2 C12H22O C12H22O C12H22O6 C12H24 C12H24O2 C12H24O2 C12H24O2 C12H25Br C12H25Cl C12H25I C12H26 C12H26O C12H26O C12H27BO3 C12H27N C12H27N C12H27O4P C12H28O4Si C12H28Sn C12H30OSi2 C13H10O C13H10O3 C13H12 C13H12O C13H18O2 C13H20 C13H20O C13H20O C13H24O4 C13H26 C13H26O C13H26O2 C13H26O2 C13H27Br C13H28 C13H28 C13H28O C14H10 C14H10 C14H10O2 C14H12O2 C14H12O3 C14H14 C14H14O C14H15N C14H16O2Si C14H18O2
Name Diphenylamine N-1-Naphthylenylacetamide 1,6-Dimethylnaphthalene 1-Ethoxynaphthalene Propyl cinnamate Diethyl phthalate 2-Cyclohexylphenol 4-Cyclohexylphenol Pentyl benzoate Pentyl salicylate Isopentyl salicylate N-Butyl-N-phenylacetamide Hexylbenzene 1,3,5-Triethylbenzene Hexamethylbenzene l-Bornyl acetate Dicyclohexyl ether Cyclododecanone Dibutyl tartrate 1-Dodecene Decyl acetate Ethyl decanoate Methyl undecanoate 1-Bromododecane 1-Chlorododecane 1-Iodododecane Dodecane 1-Dodecanol 2-Butyl-1-octanol Tributyl borate Dodecylamine Tributylamine Tributyl phosphate Tetrapropoxysilane Tetrapropylstannane Hexaethyldisiloxane Benzophenone Phenyl salicylate Diphenylmethane Benzyl phenyl ether Hexyl benzoate Heptylbenzene α-Ionone* β-Ionone* Diethyl nonanedioate 1-Tridecene 7-Tridecanone Ethyl undecanoate Methyl dodecanoate 1-Bromotridecane Tridecane 5-Butylnonane 1-Tridecanol Anthracene Phenanthrene Benzil Benzyl benzoate Benzyl salicylate 1,2-Diphenylethane Dibenzyl ether Dibenzylamine Dimethyldiphenoxysilane Pentyl cinnamate
T/K 323.2 433.2 293.2 292.2 293.2 293.2 328.2 404.2 293.2 301.2 293.12 298.2 293.2 293.2 449.0 303.2 293.2 303.2 314.2 293.2 293.2 293.2 293.2 298.2 298.2 298.2 293.2 303.2 363.2 293.2 303.2 293.2 293.2 298.2 293.2 298.2 300.2 290.2 303.2 313.2 293.2 293.2 292.4 297.65 303.2 293.2 303.2 293.2 293.2 281.15 293.2 293.2 333.2 502.0 383.2 368.2 303.2 301.2 331.2 293.2 293.2 298.2 293.2
6-167 εr 3.73 24.3 2.7250 3.3 5.45 7.86 3.97 4.42 5.07 6.25 7.26 11.66 2.3 2.256 2.172 4.46 3.45 11.4 9.4 2.152 3.75 3.75 3.671 4.07 4.17 3.91 2.0120 5.82 3.28 2.23 3.07 2.340 8.34 3.21 2.267 2.259 12.62 6.92 2.540 3.748 4.80 2.26 10.78 11.66 5.133 2.139 7.6 3.55 3.539 4.19 2.0213 2.0319 4.02 2.649 2.72 13.04 5.26 4.12 2.47 3.821 3.446 3.500 4.89
a
b
c
Range/K
0.84739E+02
–0.12391E+00
–0.35714E-04
433-533
0.13129E+02
–0.19190E-01
–0.36060E-05
225-397
0.35710E+01 0.60791E+01 0.95324E+01 0.39327E+02
–0.46912E-02 0.98200E-02 –0.31740E-01 –0.13248E+00
0.35088E-05 –0.50000E-04 0.37500E-04 0.13298E-03
449-489 303-323 293-333 303-423
0.22581E+01
0.11106E-02
–0.50000E-05
273-323
0.70969E+01
–0.15080E-01
0.12500E-04
293-353
0.86103E+01 0.10002E+02 0.34641E+01 0.23697E+01 0.18518E+02
–0.20891E-01 –0.27798E-01 0.97404E-02 –0.12200E-02 –0.44859E-01
0.18994E-04 0.27559E-04 –0.27602E-04 –0.36375E-16 0.99900E-05
274-328 274-328 293-323 283-363 303-358
0.27999E+01 0.19846E+01 0.26304E+02
0.44810E-02 0.28108E-02 –0.88480E-01
–0.11905E-04 –0.54545E-05 0.92857E-04
303-373 233-293 293-373
0.36559E+01 0.34130E+02 0.26545E+02 0.30638E+01
–0.72406E-02 –0.10249E+00 –0.11180E+00 –0.17286E-02
0.85714E-05 0.10268E-03 0.15220E-03
298-333 300-420 290-358 303-333
0.14154E+01
0.66514E-02
–0.14286E-04
273-323
0.23731E+01
–0.12000E-02
–0.21841E-15
283-363
0.20571E+02
–0.69169E-01
0.66667E-04
502-516
–0.23599E+02 0.76856E+01
0.22715E+00 –0.80000E-02
–0.34667E-03 –0.80361E-15
368-393 303-358
0.31178E+01 0.80154E+01
–0.21572E-02 –0.20536E-01
0.59800E-06 0.21250E-04
331-451 293-333
0.51669E+01
–0.77001E-02
0.70156E-05
283-353
Permittivity (Dielectric Constant) of Liquids
6-168 Mol. form. C14H22 C14H26O4 C14H26O4 C14H28O2 C14H28O2 C14H28O2 C14H29Br C14H30 C14H30O C14H31N C15H12O4 C15H26O6 C15H30O2 C15H31Br C15H32 C15H32O C15H33N C15H33N C16H22O4 C16H32O2 C16H32O2 C16H32O2 C16H33Br C16H33I C16H34 C16H34O C16H35N C16H36Sn C17H12O3 C17H34O C17H34O2 C17H36 C17H36O C18H26O4 C18H28O2 C18H30O2 C18H30O4 C18H32O2 C18H34O2 C18H34O4 C18H36O2 C18H36O2 C18H36O2 C18H36O2 C18H37Br C18H38O C18H39BO3 C18H39N C19H16 C19H18O3Si C19H32O2 C19H34O2 C19H36O2 C19H38O C19H38O2 C19H40 C20H30O4 C20H38O2 C20H40O2 C20H40O2 C20H40O2 C20H42O C20H42O
Name Octylbenzene Diisobutyl adipate Diethyl sebacate Dodecyl acetate Ethyl laurate Methyl tridecanoate 1-Bromotetradecane Tetradecane 1-Tetradecanol Tetradecylamine Phenyl 2-(acetyloxy)benzoate Tributyrin Methyl tetradecanoate 1-Bromopentadecane Pentadecane 1-Pentadecanol Pentadecylamine Triisopentylamine Dibutyl phthalate Hexadecanoic acid Ethyl myristate Methyl pentadecanoate 1-Bromohexadecane 1-Iodohexadecane Hexadecane 1-Hexadecanol Hexadecylamine Tetrabutylstannane 2-Naphthyl salicylate 9-Heptadecanone Methyl palmitate Heptadecane 1-Heptadecanol Dipentyl phthalate Phenyl laurate Linolenic acid Dicyclohexyl adipate Linoleic acid Oleic acid Dibutyl sebacate Stearic acid Hexadecyl acetate Ethyl palmitate Methyl heptadecanoate 1-Bromooctadecane 1-Octadecanol Trihexyl borate Octadecylamine Triphenylmethane Methyltriphenoxysilane Methyl linolenate Methyl linoleate Methyl oleate 10-Nonadecanone Methyl stearate Nonadecane Dihexyl phthalate Ethyl oleate Octadecyl acetate Ethyl stearate Methyl nonadecanoate 1-Eicosanol Didecyl ether
T/K 293.2 293.2 303.2 293.2 273.2 293.2 293.2 293.2 318.2 312.55 384.2 282.8 293.2 293.35 293.2 333.2 313.25 294.2 293.2 338.2 293.2 293.2 298.2 293.2 293.2 333.2 328.35 293.2 293.0 328.2 313.2 293.2 333.2 293.2 293.2 293.2 308.2 293.2 293.2 293.2 293.2 308.2 303.2 313.2 303.35 333.2 293.2 326.35 367.2 298.2 293.2 293.2 293.2 353.2 313.2 293.2 293.2 301.2 308.2 313.2 313.2 338.2 293.2
εr 2.26 5.19 4.995 3.6 3.94 3.442 3.84 2.0343 4.42 2.90 4.33 5.72 3.352 3.88 2.0391 3.70 2.85 2.29 6.58 2.417 3.50 3.296 3.68 3.57 2.0460 3.69 2.71 9.74 6.30 5.43 3.124 2.0578 3.41 6.00 3.28 2.825 4.84 2.754 2.336 4.54 2.314 3.19 3.07 3.07 3.53 3.38 2.22 2.67 2.46 3.628 3.355 3.466 3.211 5.37 3.021 2.0706 5.62 3.17 3.07 2.958 2.982 3.13 2.644
a
b
c
Range/K
0.39143E+02
–0.20965E+00
0.32000E-03
303-313
0.10058E+02 0.23832E+01 0.12272E+02
–0.33905E-01 –0.11900E-02 –0.24667E-01
0.43528E-04 –0.51229E-16 –0.13168E-13
274-328 283-363 318-358
0.13152E+02
–0.36684E-01
0.36795E-04
199-283
0.23792E+01
–0.11600E-02
–0.71069E-16
283-363
0.12444E+02
–0.20000E-01
0.52642E+01
–0.60000E-02
–0.47358E-15
293-353
0.58668E+01 0.79531E+01 0.23861E+01 0.85935E+01
–0.73333E-02 –0.22859E-01 –0.11600E-02 –0.14714E-01
–0.52666E-14 0.26955E-04 0.25555E-15 –0.45533E-13
298-328 293-323 293-363 333-363
0.56115E+02 0.11229E+02 0.44176E+02
–0.24812E+00 –0.18857E-01 –0.21183E+00
0.30682E-03 0.70332E-05 0.28571E-03
293-313 293-353 328-363
0.23627E+01
–0.10400E-02
–0.10397E-12
293-308
0.33867E+01
–0.19181E-02
274-368
0.32073E+01 0.25385E+01
–0.15477E-02 –0.69448E-03
275-368 275-368
0.27159E+01 0.47310E+01 0.57938E+01
–0.13300E-02 –0.50000E-02 –0.12294E-01
0.41338E-14 0.10919E-04
293-373 308-348 303-455
0.46790E+01 0.73784E+01
–0.30355E-02 –0.12000E-01
–0.24798E-05 –0.22871E-13
303-332 333-363
0.40201E+01
–0.66507E-02
0.65329E-05
367-448
0.57033E+01 0.44569E+01 0.70930E+01
–0.11223E-01 –0.45000E-02 –0.19081E-01
0.93447E-05 0.33923E-14 0.19555E-04
301-423 308-348 331-440
0.21700E+01 0.41465E+01
0.12497E-01 –0.62240E-02
–0.28571E-04 0.37500E-05
338-363 293-333
293-333
Permittivity (Dielectric Constant) of Liquids Mol. form. C20H60O8Si9 C21H21O4P C21H38O6 C22H42O2 C22H44O2 C22H46 C22H46O C24H20O4Si C24H38O4 C26H50O4 C27H50O6 C30H58O4 C30H62 C30H62 C34H66O4 C34H68O2 C38H74O4 C39H74O6 C51H98O6 C57H104O6 C57H104O6 C57H110O6
Name Eicosamethylnonasiloxane Tricresyl phosphate* 1,2,3-Propanetriyl hexanoate Butyl oleate Butyl stearate Docosane 1-Docosanol Tetraphenoxysilane Dioctyl phthalate Dioctyl sebacate 1,2,3-Propanetriyl octanoate Ethylene glycol ditetradecanoate Triacontane 2,6,10,15,19,23Hexamethyltetracosane Ethylene glycol dipalmitate Hexadecyl stearate Ethylene glycol distearate Glycerol trilaurate Glycerol tripalmitate Glycerol trioleate Glycerol trielaidate Glycerol tristearate
Isomer was not specified in the original reference. Cubic term is needed; see introduction.
*
**
6-169
T/K 293.2 298.2 293.2 298.2 298.2 293.2 348.2 333.2 293.2 299.2 293.2 343.2 373.2 373.2
εr 2.645 6.7 4.476 4.00 3.120 2.0840 2.94 3.4915 5.22 4.01 3.931 2.98 1.9112 1.9106
348.2 333.2 353.2 313.2 328.2 293.2 313.2 353.2
2.89 2.61 2.79 3.287 2.901 3.109 2.980 2.740
a 0.57840E+01
b –0.16568E-01
c 0.20000E-04
Range/K 293-323
0.73894E+02
–0.46261E+00
0.75500E-03
298-343
0.82062E+01
–0.25069E-01
0.28571E-04
348-373
–0.29131E+01
0.32206E-01
–0.44154E-04
328-393
PERMITTIVITY (DIELECTRIC CONSTANT) OF GASES This table gives the relative permittivity ε (often called the dielectric constant) of some common gases at a temperature of 20°C and pressure of one atmosphere (101.325 kPa). Values of the permanent dipole moment µ in Debye Units (1 D = 3.33564 × 10–30 C m) are also included. The density dependence of the permittivity is given by the equation 4π N α 4π N µ 2 ε −1 = ρm + ε −2 9kT 3 where ρm is the molar density, N is Avogadro’s number, k is the Boltzmann constant, T is the temperature, and α is the molecular polarizability. Therefore, in regions where the gas can be considered ideal, ε – 1 is approximately proportional to the pressure at constant temperature. For nonpolar gases (µ = 0), ε –1 is inversely proportional to temperature at constant pressure.
Mol. form.
Name
ε
Compounds not containing carbon Air (dry, CO2 free) Ar Argon Boron trifluoride BF3 BrH Hydrogen bromide ClH Hydrogen chloride Nitrogen trifluoride F3N Sulfur hexafluoride F6S HI Hydrogen iodide Hydrogen H2 Hydrogen sulfide H2S Ammonia H3N He Helium Kr Krypton NO Nitric oxide Nitrogen N2 Nitrous oxide N2O Ne Neon Oxygen O2 Sulfur dioxide O2S Ozone O3 Xe Xenon
µ/D
1.0005364 1.0005172 1.0011 1.00279 1.00390 1.0013 1.00200 1.00214 1.0002538 1.00344 1.00622 1.0000650 1.00078 1.00060 1.0005480 1.00104 1.00013 1.0004947 1.00825 1.0017 1.00126
0 0 0.827 1.109 0.235 0 0.448 0 0.97 1.471 0 0 0.159 0 0.161 0 0 1.633 0.534 0
The number of significant figures indicates the accuracy of the values given. The values of ε for air, Ar, H2, He, N2, O2, and CO2 are recommended as reference values; these are accurate to 1 ppm or better. The second part of the table gives the permittivity of water vapor in equilibrium with liquid water as a function of temperature (derived from Reference 4).
References 1. A. A. Maryott and F. Buckley, Table of Dielectric Constants and Electric Dipole Moments of Substances in the Gaseous State, National Bureau of Standards Circular 537, 1953. 2. B. A. Younglove, J. Phys. Chem. Ref. Data, 11, Suppl. 1, 1982; 16, 577, 1987 (for data on N2, H2, O2, and hydrocarbons over a range of pressure and temperature). 3. Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, New Series, Group IV, Vol. 4, SpringerVerlag, Heidelberg, 1980 (for data at high pressures). 4. G. Birnbaum and S. K. Chatterjee, J. Appl. Phys., 23, 220, 1952 (for data on water vapor). Mol. form.
Name
ε
µ/D
Compounds containing carbon Tetrafluoromethane CF4 CO Carbon monoxide Carbon dioxide CO2
1.00121 1.00065 1.000922
0 0.110 0
CH3Cl
CH3Br
Bromomethane
1.01028
1.822
Chloromethane
1.01080
1.892
CH3F CH3I CH4 C2H2 C2H3Cl C2H4 C2H5Cl C2H6 C2H6O C3H6 C3H6 C3H8 C4H10 C4H10
Fluoromethane Iodomethane Methane Acetylene Chloroethylene Ethylene Chloroethane Ethane Dimethyl ether Propene Cyclopropane Propane Butane Isobutane
1.00973 1.00914 1.00081 1.00124 1.0075 1.00134 1.01325 1.00140 1.0062 1.00228 1.00178 1.00200 1.00258 1.00260
1.858 1.62 0 0 1.45 0 2.05 0 1.30 0.366 0 0.084 0 0.132
Permittivity of Saturated Water Vapor t/°C 0 10 20 30 40 50
ε 1.00007 1.00012 1.00022 1.00037 1.00060 1.00095
t/°C 60 70 80 90 100
ε 1.00144 1.00213 1.00305 1.00428 1.00587
6-154
Section6.indb 154
4/29/05 4:20:11 PM
AZEOTROPIC DATA FOR BINARY MIXTURES J. Gmehling, J. Menke, J. Krafczyk, K. Fischer, J.-C. Fontaine, and H. V. Kehiaian Binary homogeneous (single-phase) liquid mixtures having an extremum (maximum or minimum) vapor pressure P at constant temperature T, as a function of composition, are called azeotropic mixtures, or simply azeotropes. The composition is usually expressed as mole fractions, where x1 for component 1 in the liquid phase and y1 for component 1 in the vapor phase are identical. Mixtures that do not show a maximum or minimum are called zeotropic. A maximum (minimum) of the P(x1) or P(y1) curves corresponds to a minimum (maximum) of the boiling temperature T at constant P, plotted as a function of x1 or y1 [see T(x1) and T(y1) curves, Types I and III, in Fig.1]. Azeotropes in which the pressure is a maximum (temperature is a minimum) are often called positive azeotropes, while pressure-minimum (temperature-maximum) azeotropes are called negative azeotropes. The coordinates of an azeotropic point are the azeotropic temperature TAz, pressure PAz, and the vapor-phase composition y1,Az , which is the same as the liquid-phase composition x1,Az. In the two-phase liquid-liquid region of partially miscible (heterogeneous) mixtures, the vapor pressure at constant T (or the boiling temperature at constant P) is independent of the global composition x1 of the two coexisting liquid phases between the equilibrium compositions x1¢and x1¢¢ (x1¢ < x1¢¢). The constant vapor pressure (boiling temperature) above the two-phase region of certain partially miscible mixtures is usually larger (smaller) than the vapor pressure (boiling temperature) at any other liquid-phase composition in the homogeneous region. In this case, the vapor-phase composition is inside the miscibility gap. Mixtures of this type are called heteroazeotropic mixtures, or simply heteroazeotropes. (Fig. 1, Type II), as opposed to the other types of azeotropes, called homoazeotropes. Only in a few cases partially miscible mixtures present a positive or negative azeotropic point in the single-phase region, outside the miscibility gap, similar to the azeotropic points of homogeneous mixtures (Fig. 1, Types IV and VI). A few binary mixtures, for example the system perfluorobenzene + benzene, may present two azeotropic points at constant temperature (pressure), a positive and a negative one. They are called double azeotropic mixtures, or simply double azeotropes. (Fig. 1, Type V). The knowledge of the occurrence of azeotropic points in binary and higher systems is of special importance for the design of distillation processes. The number of theoretical stages of a distillation column required for the separation depends on the separation factor a12, i.e. the ratio of the Ki-factors (Ki = yi/xi) of the components i (i = 1, 2). The required separation factor can be calculated with the following simplified relation (Reference 1): 12 = K1/K2 = (y1/x1)/ (y2/x2) = ( 1P1s)/ ( 2P2 s)
(1)
where i is the activity coefficient of component i in the liquid phase and Pis is the vapor pressure of the pure component i. In distillation processes, only the difference between the separation factor and unity ( 12 – 1) can be exploited for the separation. If the separation factor is close to unity, a large number of theoretical stages is required for the separation. If the binary system to be separated shows an azeotropic point ( 12 = 1), the sepa-
6-155
ration is impossible by ordinary distillation, even with an infinitely large number of stages. Following eq. (1) azeotropic behavior will always occur in homogeneous binary systems when the vapor pressure ratio P1s/ P2s is equal to the ratio of the activity coefficients g2/g1. Various thermodynamic methods based on gE-models (Wilson, NRTL, UNIQUAC) or group contribution methods (UNIFAC, modified UNIFAC, ASOG, PSRK) can be used for either calculating or predicting the required activity coefficients for the components under given conditions of temperature and composition (Reference 2). Because of the importance of azeotropic data for the design of distillation processes, compilations have been available in book form for quite some time (References 3-7). The most recent printed data collection was published in 1994 (Reference 8). A revised and extended version appeared in 2004 (Reference 9). A collection of approximately 47,400 zeotropic and azeotropic data sets, compiled from 6600 references, are stored in a comprehensive computerized data bank (Reference 10). The references from the above-mentioned compilations and from the vapor-liquid equilibrium part of the Dortmund Data Bank (Reference 11) were supplemented by references found from CAS online searches, private communications, data from industry, etc.. Over 24,000 zeotropic data and over 20,000 azeotropic data are available for binary systems. Nearly 90% of the binary azeotropic data show a pressure maximum. In most cases (ca. 90%) these are homogeneous azeotropes, and in approximately 7–8% of the cases heterogeneous azeotropes are reported. Less than 10% of the data stored show a pressure minimum. Approximately 21,000 of the data sets stored were published after 1970. The table below provides information about azeotropes for 808 selected binary systems. Compounds are listed in the modified Hill order, with carbon-containing compounds following those compounds not containing carbon. In columns 1 and 2 are the molecular formulas of components 1 and 2 written in the Hill convention. In column 3 the names of the components are given, either a systematic IUPAC name or a name in ubiquitous use. Columns 4, 5, and 6 contain the azeotropic coordinates of the mixtures: temperature TAz, pressure PAz, and vapor-phase composition y1,Az . The explanation of the type of azeotrope (column 7) is given by the following codes: O: homogeneous azeotrope in a completely miscible system L: homogeneous azeotrope in a partially miscible system E: heterogeneous azeotrope X: pressure maximum N: pressure minimum D: double azeotrope C: system contains a supercritical compound
References 1. Gmehling, J. and Brehm, A., Grundoperationen, Thieme-Verlag, Stuttgart, 1996. 2. Gmehling, J. and Kolbe, B., Thermodynamik , VCH-Verlag, Weinheim, 1992. 3. Lecat, M., Doctoral Dissertation, 1908.
Azeotropic Data for Binary Mixtures
6-156
A
B
C
0
I
y1
P
T
P
T
P
T
P
T
P
T
P
T
0
II
y1
0
III
y1
0
IV
y1
0
V
y1
0
VI
y1
0 0
x1
1
0
x1
1
0
x1
1
Figure 1 Different types of binary azeotropic systems: I - homogeneous pressure-maximum azeotrope in a completely miscible system (OX); II - heterogeneous pressure-maximum azeotrope (EX); III - homogeneous pressure-minimum azeotrope in a completely miscible system (ON); IV - homogeneous pressure-maximum azeotrope in a partially miscible system (LX); V - D: double azeotrope (OND, OXD); VI - homogeneous pressure-minimum azeotrope in a partially miscible system (LN). A y1(x1); B - P(x1) and P(y1); C - T(x1) and T(y1). Continuous line - (x1); Dashed line - (y1). 4. Lecat, M., Lâ&#x20AC;&#x2122;Azeotropisme, Monograph, Lâ&#x20AC;&#x2122;Auteur, Brussel, 1918. 5. Lecat, M., Tables Azeotropiques, Monograph, Lamertin, Brussel 1949. 6. Ogorodnikov, S. K., Lesteva, T. M., and Kogan V. B., Azeotropic Mixtures, Khimia, Leningrad, 1971. 7. Horsley, L. H., Azeotropic Data III, American Chemical Society, Washington, 1973.
8. Gmehling, J., Menke, J., Krafczyk, J., and Fischer, K., Azeotropic Data, 2 Volumes, VCH Verlag, Weinheim, 1994. 9. Gmehling, J., Menke, J., Krafczyk, J., and Fischer, K., Azeotropic Data, 2nd Ed., 3 Volumes, VCH Verlag, Weinheim, 2004. 10. Gmehling, J., Menke, J., Krafczyk, J., and Fischer, K., A Data Bank for Azeotropic Data, Status and Applications , Fluid Phase Equilib. 103, 51, 1995. 11. Dortmund Data Bank, www.ddbst.de
6-157
Azeotropic Data for Binary Mixtures
Molecular formula Comp. 1 AlCl3
Comp. 2
Name Aluminum chloride
TAz/K
Cl3OP
Phosphoryl trichloride Hydrogen chloride Water Thionyl chloride Phosphorus(III) chloride Sulfuryl chloride Phosphorus(III) chloride Phosphoryl trichloride Niobium(V) chloride Tantalum(V) chloride Germanium(IV) chloride 1,2-Dichloroethane Tetrachlorosilane Acetonitrile Molybdenum(V) chloride Tungsten(VI) chloride Hydrogen fluoride Water Trichlorofluoromethane Nitric acid Water Water Trichloromethane Formaldehyde Formic acid Nitromethane Trichloroethene Acetonitrile 1,2-Dichloroethane Ethanol 1,2-Ethanediamine Acrylonitrile Acrolein Propanal Allyl alcohol Methyl acetate 1,3-Dioxolane Ethyl formate Propanoic acid 1-Bromopropane 1-Propanol 2-Propanol 2-Methoxyethanol Dimethoxymethane cis-2-Butenenitrile trans-2-Butenenitrile Pyrrole Methacrylic acid 2-Butanone Tetrahydrofuran Isobutanal Ethyl acetate Butanoic acid 1,4-Dioxane Propyl formate Methyl propanoate 1-Bromobutane
660.15
ClH H 2O Cl2OS Cl3P Cl2O2S Cl3P Cl3OP Cl5Nb Cl5Ta Cl4Ge C2H4Cl2 Cl4Si C2H3N Cl5Mo Cl6W FH H 2O CCl3F HNO3 H2 O H2O CHCl3 CH2O CH2O2 CH3NO2 C2HCl3 C2H3N C2H4Cl2 C 2H 6O C 2H 8N 2 C 3H 3N C 3H 4O C 3H 6O C 3H 6O C3H6O2 C 3H 6O 2 C 3H 6O 2 C 3H 6O 2 C3H7Br C 3H 8O C 3H 8O C 3H 8O 2 C 3H 8O 2 C 4H 5N C 4H 5N C 4H 5N C 4H 6O 2 C 4H 8O C 4H 8O C 4H 8O C 4H 8O 2 C 4H 8O 2 C 4H 8O 2 C 4H 8O 2 C 4H 8O 2 C4H9Br
y1,Az
PAz/kPa
Type
0.5150
101.33
ONC
389.34
0.1083
133.32
ONC
345.85
0.4200
101.33
OX
364.15
0.5000
101.33
ON
536.15 558.85
0.4020 0.4650
101.33 101.33
ON ON
350.75
0.4630
101.33
OX
321.05
0.6900
101.33
EX
274.70
0.9750
101.33
OX
382.15 283.15
0.3508 0.7840
101.33 129.45
ON EX
393.20
0.3820
101.33
ON
329.27 355.75 380.35 356.90 346.55 349.95 345.43 351.25 391.85 344.05 325.45 320.65 361.15 330.05 344.95 325.75 373.05 336.35 360.80 353.70 372.65 315.05 358.45 363.05 348.15 372.25 346.54 336.67 332.80 343.55 372.95 360.65 344.85 344.75 353.95
0.1603 0.9300 0.4272 0.5160 0.3560 0.3100 0.3570 0.1030 0.4450 0.2850 0.0730 0.0600 0.5562 0.1060 0.2520 0.0700 0.9500 0.2210 0.5680 0.3260 0.9441 0.0269 0.3832 0.6843 0.7514 0.9464 0.3480 0.1828 0.1698 0.2990 0.9559 0.5280 0.3090 0.3050 0.4950
101.33 53.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 103.62 101.30 101.33 101.33 101.33 101.33 101.33 99.99 101.38 101.33 101.33 50.13 98.93 101.33 101.33 100.99 101.33 101.33 101.33 101.33 101.33 101.33
EX OX ON EX EX OX EX OX ON EX LX LX OX LX OX EX OX EX OX OX OX LX EX EX EX OX LX OX EX EX OX OX EX EX EX
Azeotropic Data for Binary Mixtures
6-158
Molecular formula Comp. 1
Comp. 2 C4H9Br C4H9Cl C4H10O C4H10O C4H10O C4H11N C 5H 5N C 5H 8 C 5H 8 C 5H 8O C5H8O2
C5H10 C5H10O C5H10O C5H10O C5H10O C5H10O2 C5H10O2 C5H10O2 C5H10O2 C5H12O C5H12O C5H12O C5H12O C 6H 6 C 6H 7 N C 6H 7 N C6H10 C6H10O C6H10O C6H10O2 C6H12 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H13N C6H14 C6H14O C6H14O C6H14O3 C6H15N C6H15N C 7H 8 C 7H 8 O C 7H 9 N C7H12O4 C7H14 C7H14O2 C7H14O2 C7H16 C7H16O C 8H 8 C 8H 8 O C8H10
Name 1-Bromo-2-methylpropane 1-Chloro-2-methylpropane 1-Butanol 2-Butanol 2-Methyl-2-propanol Butylamine Pyridine 2-Methyl-1,3-butadiene Methylenecyclobutane Cyclopropyl methyl ketone Methyl methacrylate 2-Methyl-2-butene 3-Methyl-2-buten-1-ol 3-Methyl-3-buten-1-ol 2-Methyl-3-buten-2-ol 3-Pentanone Isopropyl acetate Propyl acetate Butyl formate Isobutyl formate 3-Methyl-1-butanol 2-Methyl-2-butanol 1-Pentanol 2-Pentanol Benzene Aniline 4-Methylpyridine Cyclohexene Cyclohexanone Methyldihydropyran (unspecified isomer) 4-Vinyl-1,3-dioxane 1-Hexene Butyl acetate Isobutyl acetate 4,4-Dimethyl-1,3-dioxane 4,5-Dimethyl-1,3-dioxane (unspecified isomer) 4-Ethyl-1,3-dioxane Diacetone alcohol Propyl propanoate Cyclohexylamine Hexane Butyl ethyl ether 1-Hexanol Di(ethylene glycol) dimethyl ether Diisopropylamine Dipropylamine Toluene Benzyl alcohol 2,6-Dimethylpyridine 1,2-Propanediol diacetate 1-Heptene Isopentyl acetate Butyl propanoate Heptane 1-Heptanol Styrene Acetophenone m-Xylene
TAz/K 348.45 333.95 365.45 360.50 353.00 349.85 367.30 305.85 313.15 361.65 354.45 309.75 369.55 333.15 359.25 356.05 349.75 355.91 356.95 352.75 367.97 360.85 369.08 363.15 342.35 372.55 370.50 343.95 369.45 360.75 367.65 318.15 363.35 361.05 366.00 365.05 365.75 370.00 362.05 369.55 334.75 349.85 367.89 372.70 347.25 359.00 357.25 373.05 369.17 358.15 350.20 367.05 367.95 352.35 371.99 367.15 371.15 365.15
y1,Az 0.3730 0.1970 0.7540 0.6200 0.4011 0.0700 0.7500 0.0520 0.0212 0.7060 0.4996 0.0650 0.9141 0.8680 0.5770 0.4750 0.3960 0.5228 0.5360 0.4460 0.8265 0.6355 0.8633 0.7550 0.2980 0.9580 0.8972 0.3090 0.8694 0.5841 0.8955 0.1510 0.7013 0.6440 0.7779 0.7966 0.7257 0.9900 0.6600 0.8692 0.2110 0.4070 0.9432 0.9679 0.3654 0.6046 0.5230 0.9840 0.8647 0.9740 0.4100 0.7990 0.8340 0.4510 0.9703 0.8000 0.9675 0.7667
PAz/kPa 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.30 101.19 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.75 101.33 92.49 101.33 101.33 101.33 101.33 101.33 100.93 101.33 63.35 101.33 101.33 101.33 101.50 101.30 90.79 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 59.41 101.33 101.46 101.33 101.33 101.33 101.33 101.19 101.33
Type EX LX EX LX OX OX OX EX EX EX EX EX EX EX LX EX EX EX EX EX EX EX EX EX EX EX OX EX EX EX EX EX EX EX EX EX EX OX EX OX EX EX EX OX EX EX EX EX EX EX EX EX EX EX EX EX EX EX
6-159
Azeotropic Data for Binary Mixtures
Molecular formula Comp. 1
Comp. 2
C8H10 C8H10 C8H16O2 C8H18 C8H18 C8H18O C8H18O C8H19N C9H10 C9H12 C9H12O C9H20 C9H20O C10H22 C10H22O C12H27N CCl4
C 2H 6 O C 3H 6 O C 3H 8 O C 3H 8O C 4H 6O C 4H 6O C 4H 8O C 4H 8O 2 C4H10O C4H10O C5H10O CS2 CH4O CHCl3 CH4O C 2H 6O C 3H 6O C 3H 6O 2 C 3H 8O C 4H 6O C6H12 C6H14 CHN C3H5Cl CH2Cl2 C 2H 6O CH2O2 C2H4Cl2 C5H10O2 C8H10 CH3NO2 C 2H 6O C3H7Br C 4H 8O 2 C5H10 C7H14 C7H16 C8H18 C9H20 C10H22 C11H24
Name p-Xylene Ethylbenzene Butyl butanoate Octane 2,2,4-Trimethylpentane Dibutyl ether 1-Octanol Dibutylamine Isopropenylbenzene Isopropylbenzene 2-Phenyl-2-propanol Nonane 1-Nonanol Decane 1-Decanol Tributylamine Tetrachloromethane Ethanol Acetone 1-Propanol 2-Propanol
TAz/K 365.15 364.15 369.85 362.75 351.95 368.65 372.75 370.05 369.95 368.15 371.25 367.95 373.00 370.75 373.13 372.80
2-Butenal 2-Methylpropenal 2-Butanone Ethyl acetate 1-Butanol 2-Methyl-1-propanol 2-Methyl-3-buten-2-ol Carbon disulfide Methanol Trichloromethane Methanol Ethanol Acetone Methyl acetate 2-Propanol 2-Butenal 2-Methyl-1-pentene Hexane Hydrogen cyanide 3-Chloropropene Dichloromethane Ethanol Formic acid 1,2-Dichloroethane Butyl formate m-Xylene Nitromethane Ethanol 1-Bromopropane 1,4-Dioxane 2-Methyl-2-butene Methylcyclohexane Heptane Octane Nonane Decane Undecane
y1,Az 0.7450 0.7221 0.9110 0.6850 0.4420 0.7628 0.9820 0.8850 0.8880 0.8340 0.9718 0.8280 0.9846 0.9180 0.9865 0.9762
PAz/kPa 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.46
Type EX EX EX EX EX EX EX EX EX EX EX EX EX EX EX EX
338.19 341.25 346.28 341.83
0.6140 0.0337 0.8032 0.6686
101.33 149.93 101.33 101.33
OX OX OX OX
348.15 339.15 346.99 347.95 349.71 348.95 348.45
0.6500 0.6000 0.6630 0.5700 0.9500 0.9080 0.9009
97.86 97.86 101.33 101.33 101.33 101.33 101.06
OX OX OX OX OX OX OX
310.65
0.7000
101.33
LX
328.15 332.45 337.58 337.51 334.15 329.15 333.95 333.45
0.6480 0.8410 0.6398 0.6760 0.9500 0.9950 0.6235 0.7840
107.99 101.33 101.33 101.33 101.33 97.86 101.19 101.33
OX OX ON ON OX OX OX OX
296.45
0.8016
101.33
OX
312.05
0.9600
101.33
OX
350.17 372.15 365.95
0.4275 0.8700 0.8545
101.33 101.33 101.33
OX OX EX
333.15 343.25 373.25 311.15 354.85 353.25 363.38 369.29 371.96 373.16
0.2850 0.1020 0.4101 0.0570 0.5123 0.4790 0.6964 0.8403 0.9239 0.9619
53.61 99.82 101.48 101.33 101.33 101.33 99.73 99.73 99.73 99.73
OX OX OX LX EX EX EX EX EX EX
Azeotropic Data for Binary Mixtures
6-160
Molecular formula Comp. 1
Comp. 2 C12H26
CH4O C2HBrClF3 C2H5Br C3H5Cl C3H6O C 3H 6O 2 C 3H 6O 2 C 3H 6O 2 C 3H 6O 3 C3H7Cl C4H4F6O C 4H 6O 2 C 4H 8O C 4H 8O C 4H 8O 2 C4H10O C4H10O2 C 5H 3F 9 O C5H6 C 5H 8 C 5H 8 C 5H 8 C 5H 8 C 5H 8 C5H10 C5H10 C5H10 C5H10 C5H10O C5H12 C5H12 C5H12O C5H12O C5H12O C5H12O2 C5H12O2 C5H14N2 C 6F 6 C 6H 5F C 6H 6 C6H12 C6H12 C6H14 C6H14 C6H14O C6H14O C6H14O C6H14O C 7H 8 C7H14 C7H16 C7H16O C8H18 C9H20 C2Cl3F3 C 2H 3F 3 O
Name Dodecane Methanol 2-Bromo-2-chloro-1,1,1-trifluoroethane Bromoethane 3-Chloropropene Acetone Methyl acetate 1,3-Dioxolane Ethyl formate Dimethyl carbonate 1-Chloropropane Bis(2,2,2-trifluoroethyl) ether Vinyl acetate 2-Butanone Tetrahydrofuran Ethyl acetate Diethyl ether Dimethylacetal 1,1,1,2,3,3-Hexafluoro-3(2,2,2-trifluoroethoxy)propane 1,3-Cyclopentadiene 2-Methyl-1,3-butadiene Methylenecyclobutane 1-Methylcyclobutene cis-1,3-Pentadiene trans-1,3-Pentadiene 2-Methyl-1-butene 3-Methyl-1-butene 2-Methyl-2-butene 1-Pentene 2,3-Epoxy-2-methylbutane Isopentane Pentane Butyl methyl ether Methyl tert-butyl ether Ethyl propyl ether Diethoxymethane 2,2-Dimethoxypropane N,N,N’,N’-Tetramethylmethanediamine Hexafluorobenzene Fluorobenzene Benzene Cyclohexane 2-Methyl-1-pentene 2,3-Dimethylbutane Hexane tert-Butyl ethyl ether Diisopropyl ether Butyl ethyl ether 2-Methoxy-2-methylbutane Toluene Methylcyclohexane Heptane 2-Ethoxy-2-methylbutane Octane Nonane 1,1,2-Trichloro-1,2,2-trifluoroethane 2,2,2-Trifluoroethanol
TAz/K 373.75
y1,Az 0.9846
PAz/kPa 99.73
Type EX
317.25 308.05 312.15 328.29 328.15 334.66 318.15 337.25 313.35 326.28 332.05 323.15 332.75 335.66 305.15 330.35
0.1890 0.1610 0.2570 0.2400 0.3480 0.6910 0.3000 0.8504 0.2500 0.4450 0.6182 0.8020 0.5040 0.7120 0.0500 0.4700
93.33 101.33 100.39 101.33 107.19 101.30 81.34 102.52 101.59 101.30 101.33 58.80 101.33 101.33 93.33 101.33
OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX
330.67 309.05 303.55 309.05 304.85 311.10 309.65 300.55 291.05 306.25 300.05 334.95 297.05
0.5600 0.2120 0.1670 0.2190 0.1900 0.2300 0.2110 0.1720 0.0890 0.2160 0.1469 0.6590 0.0930
101.30 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 102.47 101.33 101.33
OX OX OX OX OX OX OX OX OX OX OX OX OX
303.20 330.00 325.00 330.00 336.03 334.15 335.15 318.15 333.35 331.56 328.75 330.00 313.15 333.15 330.95 330.00 335.00 335.55 336.65 333.15 331.95 335.15 335.55 337.25
0.1930 0.5515 0.3140 0.4050 0.8127 0.7250 0.7670 0.6100 0.6625 0.6090 0.6090 0.4517 0.3620 0.5160 0.6002 0.5390 0.8010 0.7735 0.8820 0.7520 0.7279 0.8736 0.8830 0.9526
101.30 100.08 103.15 112.25 101.52 100.00 101.33 61.73 101.62 101.33 106.66 141.80 85.50 149.64 101.54 101.61 98.84 101.69 101.33 102.87 101.33 97.28 101.33 101.33
OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX EX OX OX LX OX
316.58
0.7770
101.33
EX
6-161
Azeotropic Data for Binary Mixtures
Molecular formula Comp. 1
Comp. 2 C 2H 6O C 3H 8O C4H10O
C2Cl4 C2H3Cl3 C8H16 C8H16 C8H16 C8H18 C2Cl4F2 C2H4Cl2 C2HBrClF3 C4H10O C2HCl3 C2H4Cl2 C 2H 6O C 4H 6O C6H12 C2H2Cl2 C 5H 3F 9 O C2H3N C 3H 8O C 4H 6O 2 C 4H 8O C 4H 8O C4H10O C 5H 8 C 5H 8 C 5H 8O 2 C5H10 C5H10 C5H12 C 6H 6 C6H14O C7H16O C10H20 C2H4Cl2 C 3H 8O C6H14 C2H4Cl2 C 3H 8O C4H10O C4H10O C7H14 C8H18 C2H4O C 4H 6 C 5H 8 C2H4O2 C 5H 5N C5H12O C 6H 7N C6H10O2 C6H14 C 7H 9N C7H16 C8H10
Name Ethanol 2-Propanol 2-Methyl-2-propanol Tetrachloroethene 1,1,2-Trichloroethane 1-Octene cis-4-Octene trans-4-Octene Octane 1,1,2,2-Tetrachloro-1,2-difluoroethane 1,2-Dichloroethane 2-Bromo-2-chloro-1,1,1-trifluoroethane Diethyl ether Trichloroethene 1,2-Dichloroethane Ethanol 2-Butenal Cyclohexane trans-1,2-Dichloroethene 1,1,1,2,3,3-Hexafluoro-3(2,2,2-trifluoroethoxy)propane Acetonitrile 2-Propanol Vinyl acetate 2-Butanone Tetrahydrofuran 2-Methyl-2-propanol 2-Methyl-1,3-butadiene Methylenecyclobutane Methyl methacrylate 2-Methyl-2-butene 1-Pentene Isopentane Benzene 2-Methoxy-2-methylbutane 2-Ethoxy-2-methylbutane 1-Decene 1,1-Dichloroethane 2-Propanol Hexane 1,2-Dichloroethane 2-Propanol 2-Methyl-1-propanol 2-Methyl-2-propanol Methylcyclohexane 2,2,4-Trimethylpentane Acetaldehyde 1,3-Butadiene 2-Methyl-1,3-butadiene Acetic acid Pyridine 3-Methyl-2-butanol 2-Methylpyridine Vinyl butanoate Hexane 2,4-Dimethylpyridine Heptane o-Xylene
TAz/K 317.75 319.35 319.95
y1,Az 0.8456 0.9159 0.9426
PAz/kPa 101.42 100.95 101.09
Type OX OX OX
385.95 393.15 393.65 393.45 371.90
0.2115 0.5900 0.7100 0.6700 0.8781
101.33 101.33 101.33 101.33 53.44
OX OX OX OX OX
353.80
0.2700
101.33
OX
323.65
0.7200
93.33
ON
355.35 343.85 360.15 353.40
0.3324 0.4741 0.9000 0.0975
101.36 101.33 97.86 101.32
OX OX OX OX
318.50
0.8390
101.30
OX
348.15 344.65 352.15 338.95 333.15 306.75 312.45 355.25 308.95 301.85 298.45 328.15 346.13 348.85 354.55
0.5287 0.1948 0.3195 0.0784 0.6200 0.0410 0.1450 0.9866 0.1320 0.0830 0.1040 0.4560 0.5835 0.7219 0.9924
100.81 98.33 101.15 101.13 56.93 101.33 101.33 102.07 101.33 101.33 101.33 54.65 100.56 98.99 100.51
OX OX OX OX OX OX OX OX OX OX EX OX OX OX OX
329.55 329.30
0.8928 0.8025
101.60 101.21
OX OX
347.25 356.05
0.5258 0.9173
100.32 101.26
OX OX
349.45 354.65 343.15
0.5336 0.8036 0.7600
101.43 101.21 73.13
OX OX OX
268.15 292.23
0.0520 0.8140
101.33 101.33
OX OX
411.25 392.65 417.27 386.45 341.40 435.45 364.95 389.75
0.5780 0.7210 0.5120 0.5750 0.0839 0.3022 0.4490 0.8640
101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33
ON ON ON OX OX ON OX OX
Azeotropic Data for Binary Mixtures
6-162
Molecular formula Comp. 1
C5H8 C 5H 8 C5H10 C5H10 C5H10O C5H10O C5H10O C5H10O C5H10O2 C5H10O2 C5H12 C5H12 C5H12O C5H12O2 C 6H 5F C 6H 6 C6H12 C6H14 C6H14O C6H14O
Name p-Xylene Octane Nonane Decane Undecane Methyl formate Bromoethane Diethyl ether 2-Methyl-1,3-butadiene 2-Methyl-2-butene Isopentane Pentane Hexane Bromoethane 2-Methyl-2-butene Isopentane Nitroethane 2-Methyl-1-propanol Heptane Ethanol Acrylonitrile Methyl acetate 1,1,2,2-Tetrafluoroethyl 1,1,1trifluoroethyl ether Bis(2,2,2-trifluoroethyl) ether Butanal 2-Butanone Tetrahydrofuran Ethyl acetate 1,4-Dioxane Methyl propanoate Butylamine 1,1,1,2,3,3-Hexafluoro-3(2,2,2-trifluoroethoxy)propane 2-Methyl-1,3-butadiene Cyclopentene 2-Methyl-2-butene Cyclopentane 2,3-Epoxy-2-methylbutane 3-Methyl-2-butanone 2-Pentanone 3-Pentanone Isopropyl acetate Methyl butanoate Isopentane Pentane Methyl tert-butyl ether Diethoxymethane Fluorobenzene Benzene Cyclohexane Hexane tert-Butyl ethyl ether 2-Methoxy-2-methylbutane
C 7H 8 C7H16O C8H18 C8H18
Toluene 2-Ethoxy-2-methylbutane Octane 2,2,4-Trimethylpentane
Comp. 2 C8H10 C8H18 C9H20 C10H22 C11H24
C2H4O2 C2H5Br C4H10O C 5H 8 C5H10 C5H12 C5H12 C6H14 C2H5Br C5H10 C5H12 C2H5NO2 C4H10O C7H16 C2H6O C 3H 3N C 3H 6O 2 C 4H 3F 7 O C4H4F6O C 4H 8O C 4H 8O C 4H 8O C 4H 8O 2 C 4H 8O 2 C 4H 8O 2 C4H11N C 5H 3F 9 O
TAz/K 388.40 378.85 386.05 390.05 391.15
y1,Az 0.8200 0.6870 0.8250 0.9250 0.9720
PAz/kPa 101.33 101.33 101.33 101.33 101.33
Type OX OX OX OX OX
303.05 301.55 298.90 297.75 291.55 294.85 302.65
0.7360 0.6030 0.5150 0.5760 0.4920 0.5740 0.8490
101.33 101.33 101.33 101.33 101.33 101.33 101.33
OX OX OX OX OX OX OX
308.55 300.55
0.5110 0.2180
101.33 101.33
OX OX
375.81 362.95
0.4080 0.3520
101.33 101.33
OX OX
343.95 329.79
0.4440 0.0362
101.33 101.33
OX OX
326.67 331.90 345.45 347.15 344.95 344.85 351.33 346.30 354.99
0.2000 0.2840 0.3690 0.5080 0.1290 0.4590 0.9480 0.5140 0.5900
101.30 101.30 101.33 101.33 125.00 101.33 101.33 103.91 101.33
OX OX OX OX OX OX OX OX ON
337.88 305.95 323.40 309.79 323.44 343.45 350.85 351.15 351.33 349.85 346.30 299.95 307.15 327.75 348.30 343.85 341.25 337.95 331.65 339.95 346.81
0.3980 0.1500 0.1440 0.0795 0.1800 0.2930 0.8250 0.9779 0.9590 0.7010 0.8800 0.0540 0.0537 0.0380 0.6497 0.4752 0.4600 0.4540 0.3410 0.3728 0.5820
101.30 101.33 134.00 101.33 121.00 101.33 101.33 100.50 101.33 101.33 83.88 101.33 101.33 101.33 102.35 101.54 101.33 102.26 101.33 101.72 101.32
OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX
349.75 349.35 349.85 344.42
0.8152 0.7644 0.8250 0.6450
101.33 101.54 101.33 101.33
OX OX OX OX
6-163
Azeotropic Data for Binary Mixtures
Molecular formula Comp. 1
Comp. 2 C9H20
C2H6O2 C5H12O3 C6H14O3 C 7H 8O C7H16O3 C7H16O3 C7H16O3 C8H11N C8H18O3 C8H18O3 C8H18O3 C9H20O3 C10H22O3 C3H3N C 5H 8 C 6H 6 C6H12 C6H14 C3H4O C 5H 8 C3H6O C 5H 8 C 5H 8 C3H6O C 3H 6O 2 C3H7Br C 4H 8O C4H9Cl C5H8 C 5H 8 C 5H 8 C5H10 C5H10 C5H12 C5H12O C6H12 C6H12 C6H12 C6H14 C6H14O C6H15N C7H14 C3H6O C5H10O2 C 6H 6 C6H12 C3H6O2 C3H7Br C6H10 C6H12 C6H12 C6H12 C6H12
Name Nonane 1,2-Ethanediol Di(ethylene glycol) monomethyl ether Di(ethylene glycol) monoethyl ether o-Cresol Di(ethylene glycol) monoisopropyl ether Di(ethylene glycol) monopropyl ether Di(propylene glycol) monomethyl ether (unspecified isomer) 2,4,6-Trimethylpyridine Di(ethylene glycol) monobutyl ether Di(ethylene glycol) monoisobutyl ether Di(propylene glycol) monoethyl ether (unspecified isomer) Di(propylene glycol) monopropyl ether (unspecified isomer) Di(propylene glycol) monobutyl ether (unspecified isomer) Acrylonitrile Methylenecyclobutane Benzene Cyclohexane Hexane Acrolein 2-Methyl-1,3-butadiene Propanal 2-Methyl-1,3-butadiene Methylenecyclobutane Acetone Methyl acetate 1-Bromopropane Tetrahydrofuran 2-Chloro-2-methylpropane 2-Methyl-1,3-butadiene Methylenecyclobutane 1-Methylcyclobutene 2-Methyl-1-butene 2-Methyl-2-butene Isopentane Methyl tert-butyl ether Cyclohexane 1-Hexene 2-Methyl-1-pentene Hexane Diisopropyl ether Triethylamine Methylcyclohexane Allyl alcohol Ethyl propanoate Benzene Cyclohexane Methyl acetate 1-Bromopropane Cyclohexene Cyclohexane Methylcyclopentane 1-Hexene 2-Methyl-1-pentene
TAz/K 351.35
y1,Az 0.9400
PAz/kPa 101.33
Type OX
463.95 467.15 462.67 466.35 468.55
0.4388 0.6480 0.3797 0.6964 0.8448
101.33 101.33 101.33 101.33 101.33
OX OX OX OX OX
457.65 443.65 469.15 467.55
0.3500 0.1734 0.9102 0.8355
101.33 101.33 101.33 101.33
OX OX OX OX
458.65
0.4800
101.33
OX
463.15
0.6590
101.33
OX
465.75
0.8130
101.33
OX
313.80 347.45 337.75 330.90
0.1275 0.5575 0.4836 0.4048
101.33 101.46 101.94 101.05
OX OX OX OX
306.45
0.1980
101.33
OX
306.35 311.30
0.1700 0.3600
101.33 101.33
OX OX
328.85 328.75 328.85 322.05 306.95 311.25 307.75 303.25 308.75 298.75 324.35 330.05 323.35 333.40 322.95 327.10 318.15 318.15
0.6470 0.9915 0.9603 0.1944 0.0610 0.2800 0.2220 0.1400 0.2440 0.1730 0.4824 0.7590 0.5973 0.5793 0.6480 0.7424 0.9800 0.9500
101.33 99.75 100.35 102.11 101.33 101.33 101.33 101.33 101.33 101.33 102.19 109.32 101.40 140.60 101.33 100.17 68.13 68.66
OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX
367.65 349.90 333.15
0.5597 0.2203 0.2790
99.79 101.33 63.98
OX OX OX
329.60 330.35 328.65 325.85 323.15 325.15
0.9727 0.9121 0.8000 0.6917 0.6340 0.5931
99.56 102.87 101.33 99.50 92.08 100.38
OX OX OX OX OX OX
Azeotropic Data for Binary Mixtures
6-164
Molecular formula Comp. 1
Comp. 2 C6H14 C7H16
C3H6O2 C3H7Br C6H12 C3H6O2 C 5H 5N C3H6O3 C5H12O2 C 6H 6 C6H12 C6H12 C6H14 C6H14O C7H16 C3H7Br C 3H 8O C6H12 C3H7NO C7H16 C10H16 C10H16 C3H7NO2 C7H16 C3H7NO2 C7H16 C3H8O C 4H 3F 7 O C4H4F6O C 4H 6O 2 C 4H 8O 2 C5H10O2 C5H12O2 C 6H 6 C6H12 C6H12 C6H12O2 C6H14 C 7H 8 C7H16 C 8H 8 C8H10 C8H10 C8H10 C8H14 C8H18 C8H18 C9H20 C3H8O C 4H 4F 6 O C 4H 6O 2 C 4H 8O C4H10O C 5H 3F 9 O C5H8
Name Hexane Heptane Ethyl formate 2-Bromopropane Cyclohexane Propanoic acid Pyridine Dimethyl carbonate Diethoxymethane Benzene Cyclohexane Methylcyclopentane Hexane Dipropyl ether Heptane 1-Bromopropane 2-Propanol Cyclohexane N,N-Dimethylformamide Heptane 1,4-Dimethyl-4-vinylcyclohexene 1-Methyl-3(1-methylethylidene)cyclohexene 1-Nitropropane Heptane 2-Nitropropane Heptane 1-Propanol 1,1,2,2-Tetrafluoroethyl 1,1,1trifluoroethyl ether Bis(2,2,2-trifluoroethyl) ether 2,3-Butanedione 1,4-Dioxane Propyl acetate Diethoxymethane Benzene Cyclohexane Methylcyclopentane 4,4-Dimethyl-1,3-dioxane Hexane Toluene Heptane Styrene o-Xylene m-Xylene p-Xylene 1-Octyne Octane 2,2,4-Trimethylpentane Nonane 2-Propanol Bis(2,2,2-trifluoroethyl) ether 2,3-Butanedione 2-Butanone 2-Methyl-2-propanol 1,1,1,2,3,3-Hexafluoro-3(2,2,2-trifluoroethoxy)propane 2-Methyl-1,3-butadiene
TAz/K 326.65 323.15
y1,Az 0.6590 0.9570
PAz/kPa 106.66 79.48
Type OX OX
326.15 323.15
0.7090 0.8210
101.33 91.46
OX OX
421.75
0.6860
101.33
ON
358.71 353.50 346.95 342.35 338.15 356.45 355.15
0.4437 0.1366 0.3780 0.2680 0.2540 0.5044 0.5930
100.42 100.48 101.49 103.46 98.46 100.73 99.67
OX OX OX OX OX OX OX
339.15 343.35
0.7349 0.9219
99.97 98.84
OX OX
370.15 415.65
0.0800 0.5880
101.33 101.33
OX OX
419.05
0.7250
101.33
OX
369.25
0.1630
101.33
OX
367.55
0.2920
101.33
OX
329.23 336.22 359.30 365.30 367.88 359.01 350.20 347.68 340.85 368.20 348.15 365.35 357.65 369.08 369.85 369.90 369.60 369.00 366.85 357.89 369.95
0.0350 0.1100 0.3600 0.6418 0.6190 0.2320 0.2060 0.2490 0.1729 0.9597 0.1900 0.6770 0.4830 0.9884 0.9886 0.9531 0.9531 0.8600 0.7483 0.4580 0.9225
101.30 101.30 100.67 101.30 101.33 99.43 101.33 101.33 101.19 101.30 137.23 101.33 101.33 98.13 98.66 99.06 99.99 101.33 101.33 101.30 101.33
OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX
334.16 350.85 350.55 343.05
0.2230 0.6454 0.3830 0.5551
101.30 100.95 101.33 60.27
OX OX OX ON
341.23 307.05
0.3420 0.0150
101.30 101.33
OX OX
6-165
Azeotropic Data for Binary Mixtures
Molecular formula Comp. 1
Comp. 2 C5H10 C5H10O C5H10O C5H12 C5H12O2 C 6H 5F C 6H 6 C6H10 C6H12 C6H12 C6H14 C6H14O C6H15N C 7H 8 C7H14 C7H16 C7H16O C8H18 C8H18
C3H8O2 C 8H 8 C8H10 C8H10 C8H10 C8H16 C8H16 C8H16 C3H8O2 C 5H 6 C 5H 8 C 5H 8 C 5H 8 C3H8O2 C7H16O3 C8H18O3 C9H20O3 C9H20O3 C10H22O3 C10H22O3 C3H8O2 C5H12O3 C6H14O3 C4H6 C 4H 8 C4H6O C 7H 8 C8H18 C4H6O2 C6H12 C6H14 C4H6O2 C 7H 8
Name 2-Methyl-2-butene 2,3-Epoxy-2-methylbutane 3-Methyl-2-butanone Isopentane Diethoxymethane Fluorobenzene Benzene Cyclohexene Cyclohexane Methylcyclopentane Hexane Diisopropyl ether Diisopropylamine Toluene Methylcyclohexane Heptane tert-Butyl isopropyl ether Octane 2,2,4-Trimethylpentane 2-Methoxyethanol Styrene o-Xylene m-Xylene p-Xylene 1-Octene cis-4-Octene trans-4-Octene Dimethoxymethane 1,3-Cyclopentadiene 2-Methyl-1,3-butadiene Methylenecyclobutane 1-Methylcyclobutene 1,2-Propanediol Di(propylene glycol) monomethyl ether (unspecified isomer) Di(propylene glycol) monoethyl ether (unspecified isomer) Di(propylene glycol) monoisopropyl ether (unspecified isomer) Di(propylene glycol) monopropyl ether (unspecified isomer) Di(propylene glycol) monobutyl ether (unspecified isomer) Di(propylene glycol) monoisobutyl ether (unspecified isomer) 1,3-Propanediol Di(ethylene glycol) monomethyl ether Di(ethylene glycol) monoethyl ether 1,3-Butadiene 2-Butene (unspecified isomer) 2-Butenal Toluene Octane Vinyl acetate Cyclohexane Hexane 2,3-Butanedione Toluene
TAz/K 310.95 346.10 354.75 298.15 351.45 347.75 345.03 344.65 342.75 336.45 338.15 340.00 352.94 354.65 350.85 349.55 349.95 354.63 349.58
y1,Az 0.0460 0.1400 0.8500 0.1370 0.6107 0.4666 0.3960 0.4271 0.4050 0.2900 0.2900 0.2050 0.4890 0.8370 0.6530 0.6023 0.5306 0.8990 0.6350
PAz/kPa 101.33 101.33 101.33 101.33 98.61 101.25 101.33 101.40 101.33 98.14 112.66 103.36 101.33 101.33 101.33 101.33 102.70 101.33 101.30
Type OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX
393.95 392.65 392.15 392.65 380.75 381.25 381.05
0.7787 0.7127 0.6397 0.6303 0.4700 0.4900 0.4900
98.93 98.79 99.73 99.99 101.33 101.33 101.33
OX OX OX OX OX OX OX
313.65 306.80 310.35 309.05
0.3350 0.0160 0.4630 0.2900
101.33 101.33 101.33 101.33
OX OX OX OX
456.85
0.5691
101.33
OX
458.75
0.7778
101.33
OX
458.95
0.8130
101.33
OX
458.95
0.9010
101.33
OX
459.65
0.9721
101.33
OX
459.05
0.9255
101.33
OX
455.25 459.25
0.6300 0.9350
101.33 101.33
OX OX
267.59
0.7650
101.33
OX
374.15 353.15
0.5950 0.4950
97.86 97.86
OX OX
340.45 335.25
0.6200 0.4450
101.33 101.33
OX OX
362.70
0.9513
101.34
OX
Azeotropic Data for Binary Mixtures
6-166
Molecular formula Comp. 1 C4H6O3
Comp. 2 C8H16 C8H18
C4H8O C6H12 C4H8O C 4H 8O 2 C 6H 6 C6H10 C6H12 C6H14 C6H14O C6H14O C7H14 C7H16 C4H8O C6H12 C6H14 C4H8O2 C4H10O C 6H 6 C6H10 C6H12 C6H12 C6H14 C7H14 C4H8O2 C 5H 5N C8H16O2 C8H16O2 C11H24 C4H8O2 C4H10O C5H10O2 C5H12O C6H10 C6H12 C6H15N C7H16 C7H16O C4H8O2 C 6H 6 C4H8O2 C7H14 C4H9Cl C6H12 C4H9NO C8H10 C8H10 C4H10O C 5H 5N C5H10O3 C6H5Cl C6H12 C6H12O2 C6H12O2 C6H14 C 7H 8
Name Acetic anhydride 1-Octene Octane Butanal 2-Methyl-1-pentene 2-Butanone Ethyl acetate Benzene Cyclohexene 1-Hexene Hexane Diisopropyl ether Dipropyl ether Methylcyclohexane Heptane Tetrahydrofuran 2-Methyl-1-pentene Hexane Ethyl acetate 2-Methyl-2-propanol Benzene Cyclohexene Cyclohexane 1-Hexene Hexane Methylcyclohexane Butanoic acid Pyridine Butyl butanoate Butyl butanoate Undecane 1,4-Dioxane 2-Butanol Propyl acetate 2-Methyl-2-butanol Cyclohexene Methylcyclopentane Triethylamine Heptane 2-Ethoxy-2-methylbutane Propyl formate Benzene Methyl propanoate Methylcyclohexane 1-Chlorobutane Cyclohexane N,N-Dimethylacetamide o-Xylene Ethylbenzene 1-Butanol Pyridine Diethyl carbonate Chlorobenzene Cyclohexane Butyl acetate Isobutyl acetate Hexane Toluene
TAz/K
y1,Az
PAz/kPa
Type
367.53 397.65
0.2840 0.3500
53.88 129.80
OX OX
334.15
0.2293
101.48
OX
349.55 351.53 343.29 334.75 337.15 340.55 351.40 350.50 350.15
0.1700 0.4790 0.5110 0.1760 0.3280 0.1938 0.7785 0.7984 0.7670
101.33 101.33 89.35 100.58 101.33 101.56 100.88 98.93 101.33
OX OX OX OX OX OX OX OX OX
334.65 323.15
0.2867 0.5900
101.29 65.83
OX OX
349.75 350.55 347.45 345.00 333.15 338.00 349.90
0.7778 0.9453 0.6183 0.5390 0.1230 0.3430 0.9001
101.28 102.45 100.87 102.45 91.47 101.32 101.83
OX OX OX OX OX OX OX
436.35 434.60 434.78
0.9117 0.6532 0.8639
101.33 93.33 93.33
ON OXD OND
435.55
0.9060
101.33
OX
371.75 373.35 373.75 355.75 343.85 343.15 364.30 369.15
0.4732 0.6334 0.8119 0.1065 0.0538 0.2500 0.4868 0.5452
100.77 101.13 99.62 101.44 99.79 56.80 101.06 100.27
OX OX OX OX OX OX OX OX
343.15
0.3770
76.08
OX
352.45
0.8956
101.33
OX
348.31
0.5800
95.85
OX
416.95 408.95
0.0591 0.0037
103.40 101.70
OX OX
392.00 370.85 388.25 352.68 389.97 387.15 341.35 378.85
0.7050 0.6346 0.6950 0.0787 0.7700 0.5980 0.0370 0.3320
101.33 53.20 101.33 101.33 101.33 101.33 101.33 101.33
ON OX OX OX OX OX OX OX
6-167
Azeotropic Data for Binary Mixtures
Molecular formula Comp. 1
Comp. 2 C7H12 C7H16 C 8H 8 C8H10 C8H10 C8H10 C8H14 C8H14 C8H16 C8H16 C8H16 C8H18 C8H18O C9H16 C9H16 C9H20
C4H10O C5H10O C6H10 C6H12 C6H14 C6H14O C 7H 8 C7H16 C7H16O C8H10 C8H10 C8H18 C4H10O C5H12 C4H10O C5H10O2 C 6H 6 C6H10 C6H12 C6H12 C 7H 8 C8H10 C8H10 C8H18 C4H10O C 5H 8 C6H10 C6H12 C6H12 C6H14 C6H14O C6H14O C6H14O C 7H 8 C7H16O C8H18 C8H18 C4H10O2 C15H32O C4H10O2 C7H14 C4H10O2
Name 3-Ethylcyclopentene Heptane Styrene o-Xylene m-Xylene p-Xylene 1-Octyne 2-Octyne 1-Octene cis-4-Octene trans-4-Octene Octane Dibutyl ether 1-Butylcyclopentene 1-Nonyne Nonane 2-Butanol 3-Pentanone Cyclohexene Cyclohexane Hexane 2-Methoxy-2-methylbutane Toluene Heptane 2-Ethoxy-2-methylbutane m-Xylene p-Xylene Octane Diethyl ether Pentane 2-Methyl-1-propanol Isobutyl formate Benzene Cyclohexene Cyclohexane Methylcyclopentane Toluene m-Xylene p-Xylene Octane 2-Methyl-2-propanol Methylenecyclobutane Cyclohexene Methylcyclopentane 1-Hexene Hexane tert-Butyl ethyl ether Diisopropyl ether 2-Methoxy-2-methylbutane Toluene tert-Butyl isopropyl ether Octane 2,2,4-Trimethylpentane 1,4-Butanediol 1-Pentadecanol 1,2-Dimethoxyethane Methylcyclohexane 2-Ethoxyethanol
TAz/K 367.65 366.55 388.71 388.05 387.75 387.85 386.50 398.30 363.45 382.35 382.15 383.15 390.59 356.70 390.60 389.05
y1,Az 0.1900 0.2272 0.8923 0.8671 0.7865 0.7823 0.6200 0.7910 0.4530 0.5300 0.5310 0.5500 0.8754 0.8450 0.9400 0.8128
PAz/kPa 101.33 101.38 98.39 100.13 101.46 99.73 101.33 101.33 53.33 101.33 101.33 102.79 101.33 79.99 101.33 101.33
Type OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX
370.50 352.75 349.90 348.15 359.15 353.44 361.95 367.75 369.85 369.55 371.05
0.6075 0.2046 0.1892 0.1010 0.0991 0.5550 0.4116 0.4931 0.9717 0.9646 0.8001
99.98 101.25 101.02 128.66 102.12 56.67 102.70 102.89 101.06 101.46 101.30
OX OX OX OX OX OX OX OX OX OX OX
306.85
0.5500
101.33
OX
370.90 352.45 353.75 351.35 343.15 374.35 380.35 380.30 376.58
0.1930 0.0780 0.1363 0.1325 0.0567 0.4941 0.9300 0.9200 0.6700
101.33 101.33 100.31 101.45 100.35 101.33 101.33 101.33 101.30
OX OX OX OX OX OX OX OX OX
314.65 346.00 339.35 333.25 337.70 342.85 340.45 353.20 353.44 350.90 343.15 339.28
0.0150 0.4172 0.2559 0.2650 0.2502 0.2512 0.1058 0.5617 0.9200 0.5390 0.9680 0.6040
101.33 99.61 99.93 101.30 101.30 101.44 101.72 101.80 93.61 102.94 61.18 59.49
OX OX OX OX OX OX OX OX OX OX OX OX
502.75
0.9980
101.33
OX
350.00
0.8190
79.42
OX
Azeotropic Data for Binary Mixtures
6-168
Molecular formula Comp. 1
Comp. 2 C 8H 8 C8H10 C8H10 C8H10 C8H10
C4H10O3 C9H20O C4H11N C 6H 6 C5H5N C 7H 8 C7H16 C9H20 C5H6 C 5H 8 C5H10 C5H12 C5H6 C5H10 C5H12 C5H8 C5H12 C6F15N C5H8 C5H12 C5H8 C5H10 C5H12 C5H8O C5H12O C5H12O C5H8O2 C7H16 C8H18 C5H10 C6F15N C5H10 C6F15N C5H10O C6H12 C6H12O2 C 7H 8 C7H16 C5H10O C6H12 C6H12 C 7H 8 C5H10O C7H14 C7H16O C5H10O2 C6H12 C7H14 C7H16 C7H16O C5H12 C6F15N C5H12O
Name Styrene o-Xylene m-Xylene p-Xylene Ethylbenzene Di(ethylene glycol) 1-Nonanol Butylamine Benzene Pyridine Toluene Heptane Nonane 2-Methyl-1-buten-3-yne 2-Methyl-1,3-butadiene 2-Methyl-1-butene Isopentane 1,3-Cyclopentadiene 2-Methyl-2-butene Pentane 2-Methyl-1,3-butadiene Pentane Tris(perfluoroethyl)amine 3-Methyl-1-butyne Isopentane 1-Pentyne 2-Methyl-2-butene Pentane Cyclopentanone 3-Methyl-1-butanol 1-Pentanol Methyl methacrylate Heptane Octane 2-Methyl-1-butene Tris(perfluoroethyl)amine 2-Methyl-2-butene Tris(perfluoroethyl)amine 3-Methyl-3-buten-1-ol Cyclohexane 4,4-Dimethyl-1,3-dioxane Toluene Heptane 2-Methyl-3-buten-2-ol Cyclohexane 1-Hexene Toluene 3-Pentanone Methylcyclohexane 2-Ethoxy-2-methylbutane Propyl acetate Cyclohexane Methylcyclohexane Heptane 2-Ethoxy-2-methylbutane Isopentane Tris(perfluoroethyl)amine 2-Methyl-1-butanol
TAz/K 405.75 404.95 401.75 402.55 401.05
y1,Az 0.6438 0.5965 0.5159 0.5042 0.4632
PAz/kPa 101.33 101.36 101.33 102.19 100.94
Type OX OX OX OX OX
486.65
0.0095
101.33
OX
343.15
0.7000
80.89
OX
383.19 368.61 388.15
0.2250 0.3002 0.9350
101.33 101.33 101.33
OX OX OX
305.88 303.15 299.35
0.7210 0.3450 0.3620
101.33 101.33 101.33
OX OX OX
310.85 307.75
0.3000 0.1959
101.33 101.30
OX OX
310.55 303.35
0.7421 0.8200
114.66 101.33
OX EX
297.15
0.5650
101.33
OX
310.95 307.55
0.3300 0.3050
101.33 101.33
OX OX
402.02 403.84
0.5944 0.9196
101.33 101.33
OX OX
366.35 373.70
0.4597 0.9651
99.94 100.16
OX OX
301.95
0.8450
101.33
OX
307.65
0.8170
101.33
OX
352.65 403.05 381.55 370.00
0.0215 0.7590 0.2391 0.2100
101.10 102.26 101.60 101.30
OX OX OX OX
350.15 336.55 366.55
0.1904 0.0479 0.7788
101.20 101.30 101.20
OX OX OX
366.95 371.15
0.4441 0.4764
99.82 100.21
OX OX
353.15 368.40
0.0598 0.4746
100.43 100.90
OX OX
366.75 370.95
0.4215 0.6529
101.38 100.03
OX OX
299.65
0.9020
101.33
OX
6-169
Azeotropic Data for Binary Mixtures
Molecular formula Comp. 1
Comp. 2 C8H10 C8H10 C8H10 C8H10
C5H12O C6H10O C 7H 8 C7H14O2 C7H16 C5H12O C 6H 6 C6H12 C6H12 C6H14 C7H14 C7H16 C7H16O C5H12O C6H10O C7H14O2 C7H16 C8H18 C9H20 C10H22 C5H12O C7H16 C5H12O2 C6H12 C6H14 C6F6 C 6H 6 C 6H 6 C6F15N C 6H 6 C6H12 C6H14 C6H5Br C6H12O C6H6 C6H12 C6H12 C6H14 C7H16 C8H18 C6H6O C 6H 7N C 6H 7N C 6H 7N C 7H 5N C 7H 6O C 7H 9N C8H18 C9H12 C9H12 C9H12 C9H12 C9H18 C9H20
Name o-Xylene m-Xylene p-Xylene Ethylbenzene 3-Methyl-1-butanol Cyclohexanone Toluene Isopentyl acetate Heptane 2-Methyl-2-butanol Benzene Cyclohexane Methylcyclopentane Hexane Methylcyclohexane Heptane 2-Ethoxy-2-methylbutane 1-Pentanol Cyclohexanone Isopentyl acetate Heptane Octane Nonane Decane 3-Pentanol Heptane Diethoxymethane Cyclohexane Hexane Hexafluorobenzene Benzene Benzene Tris(perfluoroethyl)amine Benzene Cyclohexane Hexane Bromobenzene Cyclohexanol Benzene Cyclohexane Methylcyclopentane Hexane Heptane 2,2,4-Trimethylpentane Phenol Aniline 2-Methylpyridine 3-Methylpyridine Benzonitrile Benzaldehyde 2,6-Dimethylpyridine Octane Propylbenzene 1,2,3-Trimethylbenzene 1,2,4-Trimethylbenzene 1,3,5-Trimethylbenzene 1-Nonene Nonane
TAz/K 402.05 400.65 400.15 398.75
y1,Az 0.7417 0.6316 0.6273 0.5657
PAz/kPa 101.87 101.85 101.07 99.46
Type OX OX OX OX
404.87 383.15 403.95 368.15
0.9094 0.1250 0.9900 0.1016
101.33 101.33 101.33 95.06
OX OX OX OX
352.35 351.95 344.75 339.06 366.60 348.15 369.85
0.1500 0.1100 0.0551 0.0436 0.3965 0.3140 0.3904
101.33 101.33 101.80 93.55 99.87 56.83 100.52
OX OX OX OX OX OX OX
392.37 407.45 371.45 393.15 404.45 410.65
0.9748 0.6000 0.0576 0.2847 0.6242 0.9221
53.32 101.33 101.33 101.33 101.33 101.33
OX OX OX OX OX OX
368.15
0.2001
98.62
OX
353.21 361.27
0.1774 0.9101
101.39 102.30
OX OX
353.60 352.50
0.7600 0.1832
101.33 101.33
OND OXD
329.95 329.35 327.65
0.5900 0.5690 0.4840
101.33 101.33 101.33
EX EX OX
403.15
0.7390
52.45
OX
353.15 333.15 341.45 353.25 353.25
0.5460 0.1390 0.0500 0.9922 0.9751
109.18 69.93 101.33 101.32 101.32
OX OX OX OX OX
459.09 458.33 462.93 465.11 447.00 459.32 398.17 428.15 443.45 440.65 436.95 413.15 419.18
0.3884 0.7852 0.6918 0.2345 0.6001 0.7539 0.0690 0.1150 0.3936 0.2409 0.1828 0.1297 0.2180
101.33 101.32 101.32 101.33 73.00 101.32 101.32 91.85 101.33 101.33 101.33 86.57 101.32
ON ON ON ON ON ON OX OX OX OX OX OX OX
Azeotropic Data for Binary Mixtures
6-170
Molecular formula Comp. 1
Comp. 2 C10H12 C10H14 C10H14 C10H14 C10H14 C10H14
Name 1,2,3,4-Tetrahydronaphthalene Butylbenzene sec-Butylbenzene tert-Butylbenzene Diethylbenzene (unspecified isomer) o-Diethylbenzene
TAz/K 448.15 447.05 441.15 439.95 446.45 447.15
C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H18 C10H22 C11H16 C11H16 C11H16 C11H22 C12H26 C14H30
m-Diethylbenzene 1-Ethyl-3,5-dimethylbenzene 2-Ethyl-1,4-dimethylbenzene Isobutylbenzene 1-Isopropyl-2-methylbenzene 1-Isopropyl-3-methylbenzene 1-Isopropyl-4-methylbenzene 1-Methyl-2-propylbenzene 1-Methyl-3-propylbenzene 1-Methyl-4-propylbenzene 1,2,3,5-Tetramethylbenzene 1,2,4,5-Tetramethylbenzene trans-Decahydronaphthalene Decane 1-Butyl-2-methylbenzene 1-Butyl-3-methylbenzene 1-Butyl-4-methylbenzene 1-Undecene Dodecane Tetradecane Aniline o-Cresol 1,2,3-Trimethylbenzene 1,2,4-Trimethylbenzene 1,3,5-Trimethylbenzene Nonane Butylbenzene sec-Butylbenzene tert-Butylbenzene o-Diethylbenzene m-Diethylbenzene p-Diethylbenzene 1-Ethyl-3,5-dimethylbenzene 2-Ethyl-1,4-dimethylbenzene Isobutylbenzene 1-Isopropyl-2-methylbenzene 1-Isopropyl-3-methylbenzene 1-Isopropyl-4-methylbenzene 1-Methyl-2-propylbenzene 1-Methyl-3-propylbenzene 1-Methyl-4-propylbenzene 1,2,3,5-Tetramethylbenzene 1,2,4,5-Tetramethylbenzene Decane 1-Butyl-2-methylbenzene 1-Butyl-3-methylbenzene 1-Butyl-4-methylbenzene Undecane Dodecane Tridecane Tetradecane 2-Methylpyridine
C6H7N C 7H 8O C9H12 C9H12 C9H12 C9H20 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H22 C11H16 C11H16 C11H16 C11H24 C12H26 C13H28 C14H30 C6H7N
y1,Az 0.9031 0.5535 0.3129 0.2773 0.4705 0.5565
PAz/kPa 84.25 101.33 101.33 101.33 101.33 101.33
Type OX OX OX OX OX OX
445.95 447.95 447.95 441.75 443.75 443.05 443.65 447.75 446.35 447.15 454.25 453.36 443.15 434.15 455.55 454.15 454.55 443.15 450.73 452.48
0.5152 0.5840 0.5840 0.3522 0.4643 0.4027 0.4430 0.5801 0.5264 0.5575 0.7957 0.7857 0.5419 0.4450 0.8504 0.8099 0.8230 0.6426 0.7900 0.9650
101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 99.85 101.32 101.33 101.33 101.33 92.31 101.32 101.32
OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX
464.29 444.65 441.80 437.68 422.35 448.65 443.15 438.25 448.75 447.45 448.85 449.65 449.65 442.75 445.95 444.15 445.35 449.45 447.85 448.75 456.55 455.36 440.43 458.15 456.55 457.05 449.05 453.52 456.22 457.05
0.0953 0.3331 0.1850 0.1071 0.1770 0.4993 0.3021 0.2104 0.5024 0.4584 0.5086 0.5310 0.5310 0.2890 0.4052 0.3419 0.3829 0.5270 0.4711 0.5035 0.7504 0.7349 0.4660 0.8091 0.7661 0.7807 0.6970 0.8220 0.9300 0.9770
101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33
ON OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX OX
6-171
Azeotropic Data for Binary Mixtures
Molecular formula Comp. 1
Comp. 2 C8H18 C9H20
C6H7N C 7H 8O C 7H 9N C6H7N C 7H 8O C 7H 9N C6H10O C7H8 C6H10O C 7H 8 C6H12O C8H10 C8H10 C8H10 C9H20 C6H12O2 C8H16 C6H12O2 C8H10 C8H18 C9H20 C10H22 C6H14O C8H18 C9H20 C10H22 C6H14O2 C 7H 8 C7F16 C7H16 C7H5N C 7H 8O C 7H 8O C 7H 8O C8H10O C7H8O C8H11N C10H14 C10H14 C10H14 C10H22 C11H22 C11H24 C12H26 C7H8O C 7H 9N C 9H 7N C9H20 C10H8 C10H12 C10H14 C10H14 C10H14 C10H22 C7H8O C10H8
Name Octane Nonane 3-Methylpyridine m-Cresol 2,6-Dimethylpyridine 4-Methylpyridine m-Cresol 2,6-Dimethylpyridine Methyldihydropyran (unspecified isomer) Toluene 4-Methylenetetrahydropyran Toluene Cyclohexanol o-Xylene m-Xylene p-Xylene Nonane Butyl acetate 1-Octene 4,4-Dimethyl-1,3-dioxane o-Xylene Octane Nonane Decane 1-Hexanol Octane Nonane Decane 2,2-Dimethoxybutane Toluene Perfluoroheptane Heptane Benzonitrile o-Cresol m-Cresol p-Cresol 2,6-Xylenol o-Cresol 2,4,6-Trimethylpyridine sec-Butylbenzene Diethylbenzene (unspecified isomer) 1,2,4,5-Tetramethylbenzene Decane 1-Undecene Undecane Dodecane m-Cresol 2,6-Dimethylpyridine Quinoline Nonane Naphthalene 1,2,3,4-Tetrahydronaphthalene sec-Butylbenzene Diethylbenzene (unspecified isomer) 1,2,4,5-Tetramethylbenzene Decane p-Cresol Naphthalene
TAz/K 394.27 402.35
y1,Az 0.4610 0.8790
PAz/kPa 101.33 101.33
Type OX OX
477.01 416.64
0.1556 0.2940
101.32 101.33
ON OX
477.74 417.08
0.1822 0.2000
101.32 101.32
ON OX
381.85
0.0207
101.30
OX
381.15
0.5253
101.20
OX
415.95 411.85 410.95
0.1426 0.0503 0.0505
101.33 101.33 101.33
OX OX OX
410.20
0.3350
79.99
OX
393.00
0.3030
101.33
OX
404.65 393.95 402.15 405.35
0.9662 0.3343 0.8864 0.9999
101.30 101.20 101.30 100.60
OX OX OX OX
398.55 416.95 427.05
0.0886 0.3649 0.7123
101.33 101.33 101.33
OX OX OX
380.15
0.9180
101.44
OX
328.16
0.6100
53.60
OX
468.91 476.10 476.95 477.15
0.5100 0.1441 0.0898 0.0807
101.33 101.33 101.33 101.33
ON ON ON ON
470.35 444.65 453.10 462.37 433.15 448.15 433.15 458.15
0.6561 0.0938 0.2694 0.6273 0.3100 0.5516 0.5800 0.8466
101.33 101.33 101.33 101.33 78.71 83.07 56.40 93.55
ON OX OX OX OX OX OX OX
475.66 511.20 413.15 474.65 468.45 445.85 454.10 466.87 433.15
0.9869 0.0356 0.0400 0.9680 0.5900 0.0136 0.1010 0.3591 0.2170
101.32 101.33 76.54 101.33 93.10 101.33 101.33 101.33 75.85
ON ON OX OX OX OX OX OX OX
474.55
0.9414
101.33
OX
Azeotropic Data for Binary Mixtures
6-172
Molecular formula Comp. 1
Comp. 2 C10H14 C10H14
C7H8O C10H22 C7H9N C10H22 C11H24 C12H26 C13H28 C7H14O2 C9H20 C7H16O C9H20 C10H22 C11H24 C8H10 C9H20 C8H10O C 9H 7N C10H8 C10H14 C8H10O C 9H 7N C10H8 C8H10O C 9H 7N C10H8 C10H14 C8H10O C 9H 7N C10H8 C10H14 C8H10O C 9H 7N C 9H 7N C10H8 C10H9N C10H9N C10H9N C10H9N C11H11N C8H10O C 9H 7N C 9H 7N C10H8 C10H9N C11H11N C8H10O C 9H 7N C10H8 C10H14 C8H10O C 9H 7N C10H8 C10H14 C8H10O C 9H 7N C10H8
Name sec-Butylbenzene Diethylbenzene (unspecified isomer) Benzyl alcohol Decane 2-Methylaniline Decane Undecane Dodecane Tridecane Pentyl acetate Nonane 1-Heptanol Nonane Decane Undecane o-Xylene Nonane 2,6-Xylenol Quinoline Naphthalene 1,2,4,5-Tetramethylbenzene 2,3-Xylenol Quinoline Naphthalene 2,4-Xylenol Quinoline Naphthalene
TAz/K 446.05 454.50
1,2,4,5-Tetramethylbenzene 2,5-Xylenol Quinoline Naphthalene 1,2,4,5-Tetramethylbenzene 3,4-Xylenol Isoquinoline Quinoline Naphthalene 3-Methylisoquinoline 2-Methylquinoline 3-Methylquinoline 7-Methylquinoline 2,3-Dimethylquinoline 3,5-Xylenol Isoquinoline Quinoline Naphthalene 2-Methylquinoline 2,3-Dimethylquinoline 2-Ethylphenol Quinoline Naphthalene 1,2,4,5-Tetramethylbenzene 3-Ethylphenol Quinoline Naphthalene 1,2,4,5-Tetramethylbenzene 4-Ethylphenol Quinoline Naphthalene
y1,Az 0.0186 0.1105
PAz/kPa 101.33 101.33
Type OX OX
445.75
0.2490
101.33
OX
446.91 461.40 468.90 472.55
0.1770 0.4930 0.7650 0.9070
101.33 101.33 101.33 101.33
OX OX OX OX
419.20
0.5380
101.32
OX
423.45 438.75 447.85
0.1071 0.4308 0.8014
101.33 101.33 101.33
OX OX OX
417.40
0.8498
101.33
OX
511.00 475.70 468.85
0.0890 0.9381 0.3480
101.33 101.33 101.33
ON OX OX
513.30 485.45
0.2684 0.4123
101.33 101.33
ON OX
512.30 481.25
0.1717 0.6435
101.33 101.33
ON OX
474.05
0.1869
101.33
OX
512.30 481.25 474.35
0.1717 0.6435 0.1763
101.33 101.33 101.33
ON OX OX
519.75 514.77 490.95 524.35 521.17 523.60 525.85 521.60
0.2955 0.3907 0.1158 0.0811 0.1647 0.1152 0.0466 0.2113
101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33
ON ON OX ON ON ON ON ON
518.05 513.58 489.33 520.65 520.70
0.1915 0.3287 0.2601 0.0094 0.0530
101.33 101.33 101.33 101.33 101.33
ON ON OX ON ON
511.75 478.35 471.45
0.1041 0.8005 0.3707
101.33 101.33 101.33
ON OX OX
512.70 483.45 475.95
0.2089 0.5551 0.1249
101.33 101.33 101.33
ON OX OX
513.45 486.10
0.2832 0.3762
101.33 101.33
ON OX
6-173
Azeotropic Data for Binary Mixtures
Molecular formula Comp. 1 C8H11N
Comp. 2 C11H24 C12H26 C13H28 C14H30
C8H18O C10H22 C11H24 C12H26 C9H7N C11H10 C9H7N C9H12O C9H12O C9H12O C9H12O C9H12O C10H14O C10H14O C10H14O C10H14O C10H14O C10H14O C11H10 C11H16O C11H16O C9H12 C10H22 C9H12 C10H22 C9H12O C10H8 C9H12O C10H8 C9H12O C10H8 C10H14 C9H12O C10H8 C9H20O C11H24 C12H26 C10H22O C12H26
Name 2,4-Dimethylaniline Undecane Dodecane Tridecane Tetradecane 1-Octanol Decane Undecane Dodecane Isoquinoline 2-Methylnaphthalene Quinoline 3-Isopropylphenol 2-Isopropylphenol 2-Propylphenol 3-Propylphenol 4-Propylphenol 2-Butylphenol 2-tert-Butylphenol 3-tert-Butylphenol 4-Isobutylphenol 2-sec-Butylphenol 4-sec-Butylphenol 2-Methylnaphthalene 2-tert-Butyl-5-methylphenol 2-sec-Butyl-4-methylphenol 1,2,3-Trimethylbenzene Decane 1,2,4-Trimethylbenzene Decane 2-Ethyl-4-methylphenol Naphthalene 2-Ethyl-5-methylphenol Naphthalene 2-Isopropylphenol Naphthalene 1,2,4,5-Tetramethylbenzene 2,4,6-Trimethylphenol Naphthalene 1-Nonanol Undecane Dodecane 1-Decanol Dodecane
TAz/K
y1,Az
PAz/kPa
Type
468.13 482.95 488.43 490.53
0.1490 0.4520 0.7880 0.9840
101.33 101.33 101.33 101.33
OX OX OX OX
446.45 460.05 466.95
0.1029 0.4772 0.8836
101.33 101.33 101.33
OX OX OX
513.90
0.2074
101.33
OX
514.70 512.75 513.60 514.70 515.35 515.70 513.70 517.05 515.95 514.70 516.45 511.05 515.45 516.10
0.6109 0.8015 0.7243 0.6109 0.5451 0.5350 0.7299 0.4315 0.5061 0.6339 0.4551 0.9213 0.5854 0.5139
101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33 101.33
ON ON ON ON ON ON ON ON ON ON ON OX ON ON
433.35
0.4010
72.54
OX
433.35
0.8600
80.25
OX
488.20
0.2218
101.33
OX
489.45
0.1710
101.33
OX
483.15 476.25
0.5102 0.1036
101.33 101.33
OX OX
486.70
0.3161
101.33
OX
468.45 480.65
0.0925 0.5235
101.33 101.33
OX OX
489.25
0.1068
101.33
OX
VISCOSITY OF GASES The following table gives the viscosity of some common gases as a function of temperature. Unless otherwise noted, the viscosity values refer to a pressure of 100 kPa (1 bar). The notation P=0 indicates the low pressure limiting value is given. The difference
Ar BF3 ClH F6S H2 D2 H2O D2O He Kr NO N2 N2O Ne O2 O2S Xe CO CO2 CHCl3 CH4 CH4O C2H2 C2H4 C2H6 C2H6O C3H8 C4H10 C4H10 C4H10O C5H12 C6H14
Air Argon Boron trifluoride Hydrogen chloride Sulfur hexafluoride (P=0) Hydrogen (P=0) Deuterium (P=0) Water Deuterium oxide Helium (P=0) Krypton (P=0) Nitric oxide Nitrogen (P=0) Nitrous oxide Neon (P=0) Oxygen (P=0) Sulfur dioxide Xenon (P=0) Carbon monoxide Carbon dioxide Chloroform Methane Methanol Acetylene Ethylene Ethane Ethanol Propane Butane Isobutane Diethyl ether Pentane Hexane
100 K 7.1 8.0
4.2 5.9
9.7 8.8
14.4 7.5 8.3 6.7
between the viscosity at 100 kPa and the limiting value is generally less than 1%. Viscosity is given in units of µPa s; note that 1 µPa s = 10–5 poise. Substances are listed in the modified Hill order (see Introduction).
Viscosity in micropascal seconds (µPa s) 200 K 300 K 400 K 500 K 13.3 18.6 23.1 27.1 15.9 22.9 28.8 34.2 12.3 17.1 21.7 26.1 14.6 19.7 24.3 15.3 19.8 23.9 6.8 9.0 10.9 12.7 9.6 12.6 15.4 17.9 10.0 13.3 17.3 11.1 13.7 17.7 15.3 20.0 24.4 28.4 17.1 25.6 33.1 39.8 13.8 19.2 23.8 28.0 12.9 17.9 22.2 26.1 10.0 15.0 19.4 23.6 24.3 32.1 38.9 45.0 14.6 20.8 26.1 30.8 8.6 12.9 17.5 21.7 15.4 23.2 30.7 37.6 12.9 17.8 22.1 25.8 10.0 15.0 19.7 24.0 10.2 13.7 16.9 7.7 11.2 14.3 17.0 13.2 16.5 10.4 13.5 16.5 7.0 10.4 13.6 16.5 6.4 9.5 12.3 14.9 11.6 14.5 8.3 10.9 13.4 7.5 10.0 12.3 7.6 10.0 12.3 7.6 10.1 12.4 6.7 9.2 11.4 8.6 10.8
References 1. K. Kadoya, N. Matsunaga, and A. Nagashima, Viscosity and thermal conductivity of dry air in the gaseous phase, J. Phys. Chem. Ref. Data, 14, 947, 1985. 2. B. A. Younglove and H. J. M. Hanley, The viscosity and thermal conductivity coefficients of gaseous and liquid argon, J. Phys. Chem. Ref. Data, 15, 1323, 1986. 3. P. M. Holland, B. E. Eaton, and H. J. M. Hanley, A correlation of the viscosity and thermal conductivity data of gaseous and liquid ethylene, J. Phys. Chem. Ref. Data, 12, 917, 1983. 4. M. J. Assael, S. Mixafendi, and W. A. Wakeham, The viscosity and thermal conductivity of normal hydrogen in the limit zero density, J. Phys. Chem. Ref. Data, 15, 1315, 1986. 5. B. A. Younglove and J. F. Ely, Thermophysical properties of fluids. II. Methane, ethane, propane, isobutane, and normal butane, J. Phys. Chem. Ref. Data, 16, 577, 1987. 6. J. V. Sengers and J. T. R. Watson, Improved international formulations for the viscosity and thermal conductivity of water substance, J. Phys. Chem. Ref. Data, 15, 1291, 1986.
600 K 30.8 39.0 30.2 27.7 14.4 20.3 21.4 22.0 32.3 45.9 31.9 29.6 27.4 50.8 35.1 44.0 29.1 28.0 20.1 19.4 19.6 19.1 17.3 17.0 15.8 14.6 14.6 13.4 12.8
Ref. 1 2,8 13 13 10 4 11 6 7 8 8 13 12 13 8 12 13 8 13 9,10 13 10 13 13 3 5 13 5 5 5 13 13 13
7. N. Matsunaga and A. Nagashima, Transport properties of liquid and gaseous D2O over a wide range of temperature and pressure, J. Phys. Chem. Ref. Data, 12, 933, 1983. 8. J. Kestin, et al., Equilibrium and transport properties of the noble gases and their mixtures at low density, J. Phys. Chem. Ref. Data, 13, 299, 1984. 9. V. Vescovic, et al., The transport properties of carbon dioxide, J. Phys. Chem. Ref. Data, 19, 1990. 10. R. D. Trengove and W. A. Wakeham, The viscosity of carbon dioxide, methane, and sulfur hexafluoride in the limit of zero density, J. Phys. Chem. Ref. Data, 16, 175, 1987. 11. M. J. Assael, S. Mixafendi, and W. A. Wakeham, The viscosity of normal deuterium in the limit of zero density, J. Phys. Chem. Ref. Data, 16, 189, 1987. 12. W. A. Cole and W. A. Wakeham, The viscosity of nitrogen, oxygen, and their binary mixtures in the limit of zero density, J. Phys. Chem. Ref. Data, 14, 209, 1985. 13. C. Y. Ho, Ed., Properties of Inorganic and Organic Fluids, CINDAS Data Series on Materials Properties, Vol. V-1, Hemisphere Publishing Corp., New York, 1988.
6-174
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VISCOSITY OF LIQUIDS References
The absolute viscosity of some common liquids at temperatures between –25 and 100°C is given in this table. Values were derived by fitting experimental data to suitable expressions for the temperature dependence. The substances are arranged by molecular formula in the modified Hill order (see Preface). All values are given in units of millipascal seconds (mPa s); this unit is identical to centipoise (cp). Viscosity values correspond to a nominal pressure of 1 atmosphere. If a value is given at a temperature above the normal boiling point, the applicable pressure is understood to be the vapor pressure of the liquid at that temperature. A few values are given at a temperature slightly below the normal freezing point; these refer to the supercooled liquid. The accuracy ranges from 1% in the best cases to 5 to 10% in the worst cases. Additional significant figures are included in the table to facilitate interpolation. Molecular formula
Name
Compounds not containing carbon Bromine Br2 Trichlorosilane Cl3HSi Phosphorous trichloride Cl3P Tetrachlorosilane Cl4Si Water H2O Hydrazine H4N2 Hg Mercury Nitrogen dioxide NO2 Compounds containing carbon Trichlorofluoromethane CCl3F Tetrachloromethane CCl4 Carbon disulfide CS2 Tribromomethane CHBr3 Trichloromethane CHCl3 CHN Hydrogen cyanide Dibromomethane CH2Br2 Dichloromethane CH2Cl2 Formic acid CH2O2 Iodomethane CH3I Formamide CH3NO Nitromethane CH3NO2 Methanol CH4O Methylamine CH5N 1,1,2-Trichlorotrifluoro-ethane C2Cl3F3 Tetrachloroethylene C2Cl4 Trichloroethylene C2HCl3 Pentachloroethane C2HCl5 Trifluoroacetic acid C2HF3O2 cis-1,2-Dichloroethylene C2H2Cl2 trans-1,2-Dichloroethylene C2H2Cl2 1,1,1,2-Tetrachloroethane C2H2Cl4 1-Chloro-1,1-difluoro-ethane C2H3ClF2 Acetyl chloride C2H3ClO 1,1,1-Trichloroethane C2H3Cl3 Acetonitrile C2H3N 1,2-Dibromoethane C2H4Br2
–25°C
0.870
1. Viswanath, D. S. and Natarajan, G., Data Book on the Viscosity of Liquids, Hemisphere Publishing Corp., New York, 1989. 2. Daubert, T. E., Danner, R. P., Sibul, H. M., and Stebbins, C. C., Physical and Thermodynamic Properties of Pure Compounds: Data Compilation, extant 1994 (core with 4 supplements), Taylor & Francis, Bristol, PA (also available as database). 3. Ho, C. Y., Ed., CINDAS Data Series on Material Properties, Vol. V-1, Properties of Inorganic and Organic Fluids, Hemisphere Publishing Corp., New York, 1988. 4. Stephan, K. and Lucas, K., Viscosity of Dense Fluids, Plenum Press, New York, 1979. 5. Vargaftik, N. B., Tables of Thermophysical Properties of Liquids and Gases, 2nd ed., John Wiley, New York, 1975.
0°C 1.252 0.415 0.662 1.793
0.532 0.740
0.539 1.321 0.429
0.988
0.706 0.235 1.320 0.533
1.948 0.727
1.311 1.258 0.319 1.465
0.594 7.114 0.875 0.793 0.231 0.945 1.114 0.703 3.761
0.786 0.522 3.660 0.477
0.575 0.398 2.200 0.376
1.847
1.161 0.400
Viscosity in mPa s 25°C 50°C 0.944 0.326 0.529 99.4 0.890 0.876 1.526 0.402 0.421 0.908 0.352 1.857 0.537 0.183 0.980 0.413 1.607 0.469 3.343 0.630 0.544
75°C
100°C
0.746 0.439 96.2 0.547 0.628 1.402
0.378 0.480 1.312
0.656
0.494
1.367 0.427
1.029
0.779
0.652
1.030
0.724
0.545
1.833 0.481
0.383
0.317
0.535 0.376 1.061
0.442
0.282 0.384 1.245
0.656 0.844 0.545 2.254 0.808 0.445 0.317 1.437
0.481 0.663 0.444 1.491 0.571 0.261 1.006
0.741
0.570
0.368 0.793 0.369 1.595
0.294 0.578 0.284 1.116
0.428 0.234 0.837
0.661
6-175
Section6.indb 175
4/29/05 4:20:16 PM
Viscosity of Liquids
6-176 Molecular formula C2H4Cl2 C2H4Cl2 C2H4O2 C2H4O2 C2H5Br C2H5Cl C2H5I C2H5NO C2H5NO2 C2H6O C2H6OS C2H6O2 C2H6S C2H6S C2H7N C2H7NO C3H5Br C3H5Cl C3H5ClO C3H5N C3H6O C3H6O C3H6O C3H6O2 C3H6O2 C3H6O2 C3H7Br C3H7Br C3H7Cl C3H7Cl C3H7I C3H7I C3H7NO C3H7NO2 C3H8O C3H8O C3H8O2 C3H8O3 C3H8S C3H8S C3H9N C3H9N C4H4O C4H5N C4H6O3 C4H7N C4H8O C4H8O C4H8O2 C4H8O2 C4H8O2 C4H8O2 C4H8O2 C4H8O2 C4H8O2S C4H8S C4H9Br C4H9Cl C4H9N C4H9NO
Section6.indb 176
Name 1,1-Dichloroethane 1,2-Dichloroethane Acetic acid Methyl formate Bromoethane Chloroethane Iodoethane N-Methylformamide Nitroethane Ethanol Dimethyl sulfoxide Ethylene glycol Dimethyl sulfide Ethanethiol Dimethylamine Ethanolamine 3-Bromopropene 3-Chloropropene Epichlorohydrin Propanenitrile Acetone Allyl alcohol Propanal Ethyl formate Methyl acetate Propanoic acid 1-Bromopropane 2-Bromopropane 1-Chloropropane 2-Chloropropane 1-Iodopropane 2-Iodopropane N,N-Dimethylformamide 1-Nitropropane 1-Propanol 2-Propanol 1,2-Propylene glycol Glycerol 1-Propanethiol 2-Propanethiol Propylamine Isopropylamine Furan Pyrrole Acetic anhydride Butanenitrile 2-Butanone Tetrahydrofuran 1,4-Dioxane Ethyl acetate Methyl propionate Propyl formate Butanoic acid 2-Methylpropanoic acid Sulfolane Tetrahydrothiophene 1-Bromobutane 1-Chlorobutane Pyrrolidine N,N-Dimethylacetamide
–25°C
0°C 1.125
1.354 3.262
0.424 0.477 0.319 0.723 2.549 0.940 1.786
0.300
0.356 0.364 0.232
2.492
0.620 0.408 1.570
0.540
0.395
0.635 0.416
1.851 8.645
0.506 0.477 1.499 0.645 0.612 0.436 0.401 0.970 0.883 1.176 1.160 3.815 4.619 248 0.503 0.477
0.661
0.720 0.849
0.454 0.475 2.085 1.241 0.533 0.605 0.578 0.581 0.669 2.215 1.857
1.914
0.815 0.556 1.071
Viscosity in mPa s 25°C 50°C 0.464 0.362 0.779 0.576 1.056 0.786 0.325 0.374 0.556 1.678 0.688 1.074 1.987 16.1 0.284 0.287
0.444 1.155 0.526 0.694 1.290 6.554
21.1 0.471 0.314 1.073 0.294 0.306 1.218 0.321 0.380 0.364 1.030 0.489 0.458 0.334 0.303 0.703 0.653 0.794 0.798 1.945 2.038 40.4 934 0.385 0.357 0.376 0.325 0.361 1.225 0.843 0.553 0.405 0.456 1.177 0.423 0.431 0.485 1.426 1.226 0.973 0.606 0.422 0.704 1.927
75°C 0.447 0.599
100°C
0.464
0.365 0.824 0.415 0.476
0.606 0.337
3.340
1.975
8.560 0.373
3.935
1.998
0.781 0.240 0.247 0.759 0.249 0.300 0.284 0.749 0.387 0.359
0.597 0.202
0.474
0.541 0.506 0.624 0.589 1.107 1.028 11.3 152
0.505
0.569
0.449
0.436 0.407
0.363
0.460 0.685 0.576 4.770 39.8
0.374
2.750 14.8
0.280
0.828 0.614 0.418 0.315 0.359 0.787 0.325 0.333 0.370 0.982 0.863 6.280 0.912 0.471 0.329 0.512
0.612 0.472 0.330 0.249 0.569 0.259 0.266 0.293 0.714 0.639 3.818
0.377 0.268
0.542 0.492 2.559
0.379 0.261
4/29/05 4:20:18 PM
Viscosity of Liquids Molecular formula C4H9NO C4H10O C4H10O C4H10O C4H10O C4H10O3 C4H10S C4H11N C4H11N C4H11N C4H11NO2 C5H4O2 C5H5N C5H10 C5H10 C5H10 C5H10O C5H10O C5H10O C5H10O2 C5H10O2 C5H10O2 C5H10O2 C5H10O2 C5H11N C5H12 C5H12 C5H12O C5H12O C5H12O C5H12O C5H12O C5H13N C6F6 C6H4Cl2 C6H4Cl2 C6H5Br C6H5Cl C6H5ClO C6H5ClO C6H5F C6H5I C6H5NO2 C6H6 C6H6ClN C6H6O C6H7N C6H8N2 C6H10 C6H10O C6H11N C6H12 C6H12 C6H12 C6H12O C6H12O C6H12O C6H12O2 C6H12O2 C6H12O2
Section6.indb 177
6-177 Name
Morpholine 1-Butanol 2-Butanol 2-Methyl-2-propanol Diethyl ether Diethylene glycol Diethyl sulfide Butylamine Isobutylamine Diethylamine Diethanolamine Furfural Pyridine 1-Pentene 2-Methyl-2-butene Cyclopentane Mesityl oxide 2-Pentanone 3-Pentanone Butyl formate Propyl acetate Ethyl propanoate Methyl butanoate Methyl isobutanoate Piperidine Pentane Isopentane 1-Pentanol 2-Pentanol 3-Pentanol 2-Methyl-1-butanol 3-Methyl-1-butanol Pentylamine Hexafluorobenzene o-Dichlorobenzene m-Dichlorobenzene Bromobenzene Chlorobenzene o-Chlorophenol m-Chlorophenol Fluorobenzene Iodobenzene Nitrobenzene Benzene o-Chloroaniline Phenol Aniline Phenylhydrazine Cyclohexene Cyclohexanone Hexanenitrile Cyclohexane Methylcyclopentane 1-Hexene Cyclohexanol 2-Hexanone 4-Methyl-2-pentanone Butyl acetate Isobutyl acetate Ethyl butanoate
–25°C 12.19
0°C 5.185
0.283 0.558 0.830 0.770
0.313
1.291
0.351 0.376 25.4
2.501 1.361 0.241 0.255 0.555 0.838 0.641 0.592 0.937 0.768 0.691 0.759 0.672 0.274 0.277 8.512
8.627 1.030
1.703
1.958 1.492 1.560 1.058
0.749 2.354 3.036
0.882
0.927 0.441
0.653 0.326
1.300
0.840 1.002
Viscosity in mPa s 25°C 50°C 2.021 1.247 2.544 1.394 3.096 1.332 4.312 1.421 0.224 30.200 11.130 0.422 0.331 0.574 0.409 0.571 0.367 0.319 0.239 109.5 1.587 1.143 0.879 0.637 0.195 0.203 0.413 0.321 0.602 0.465 0.470 0.362 0.444 0.345 0.644 0.472 0.544 0.406 0.501 0.380 0.541 0.406 0.488 0.373 1.573 0.958 0.224 0.214 3.619 1.820 3.470 1.447 4.149 1.473 4.453 1.963 3.692 1.842 0.702 0.493 2.789 1.730 1.324 0.962 1.044 0.787 1.074 0.798 0.753 0.575 3.589 1.835 4.041 0.550 0.423 1.554 1.117 1.863 1.262 0.604 0.436 3.316 1.913 3.437 3.847 2.029 13.0 4.553 0.625 0.467 2.017 1.321 0.912 0.650 0.894 0.615 0.479 0.364 0.252 0.202 57.5 12.3 0.583 0.429 0.545 0.406 0.685 0.500 0.676 0.493 0.639 0.453
75°C 0.850 0.833 0.698 0.678
100°C 0.627 0.533 0.419
4.917 0.267 0.298
2.505
28.7 0.906 0.497
9.100 0.772 0.409
0.381 0.289 0.276 0.362 0.316 0.299 0.318 0.296 0.649
0.326 0.238 0.227 0.289 0.255 0.242 0.257
1.035 0.761 0.727 1.031 1.031 0.356 1.151 0.739 0.628 0.627 0.456 1.131
0.646 0.465 0.436 0.612 0.631
0.338 0.854 0.918 0.335 1.248 1.784 1.247 1.850 0.364 0.919 0.488 0.447
0.474
0.593 0.525 0.512 0.369 0.786
0.683 0.704 0.887 1.099 0.850 0.848 0.671 0.382
4.274 0.329
1.982 0.262
0.383 0.370
0.305 0.286
4/29/05 4:20:19 PM
Viscosity of Liquids
6-178 Molecular formula C6H12O2 C6H12O3 C6H13N C6H14 C6H14 C6H14 C6H14O C6H14O C6H15N C6H15N C6H15N C6H15NO3 C7H5N C7H7Cl C7H7Cl C7H7Cl C7H8 C7H8O C7H8O C7H8O C7H8O C7H9N C7H9N C7H9N C7H9N C7H14 C7H14 C7H14O C7H14O2 C7H16 C7H16 C7H16O C7H16O C7H16O C7H16O C7H17N C8H8 C8H8O C8H8O2 C8H8O3 C8H10 C8H10 C8H10 C8H10 C8H10O C8H11N C8H11N C8H16 C8H16O2 C8H18 C8H18O C8H18O C8H18O C8H18O C8H18O C8H19N C8H19N C9H7N C9H10 C9H12
Section6.indb 178
Name Diacetone alcohol Paraldehyde Cyclohexylamine Hexane 2-Methylpentane 3-Methylpentane Dipropyl ether 1-Hexanol Triethylamine Dipropylamine Diisopropylamine Triethanolamine Benzonitrile o-Chlorotoluene m-Chlorotoluene p-Chlorotoluene Toluene o-Cresol m-Cresol Benzyl alcohol Anisole N-Methylaniline o-Methyl aniline m-Methyl aniline Benzylamine Methylcyclohexane 1-Heptene 2-Heptanone Heptanoic acid Heptane 3-Methylhexane 1-Heptanol 2-Heptanol 3-Heptanol 4-Heptanol Heptylamine Styrene Acetophenone Methyl benzoate Methyl salicylate Ethylbenzene o-Xylene m-Xylene p-Xylene Phenetole N,N-Dimethylaniline N-Ethylaniline Ethylcyclohexane Octanoic acid Octane 1-Octanol 4-Methyl-3-heptanol 5-Methyl-3-heptanol 2-Ethyl-1-hexanol Dibutyl ether Dibutylamine Diisobutylamine Quinoline Indane Cumene
–25°C 28.7
0°C 6.621
0.405 0.372 0.395 0.542 0.455 0.751
1.390 1.165 1.165
0.778
4.120 10.3 8.180 0.991 0.441
0.757
0.523
1.050
0.872 1.084 0.795
1.996 3.981 1.139 0.700
1.417
1.904 2.052 20.7 0.918 1.509 1.115 2.230 1.075
Viscosity in mPa s 25°C 50°C 2.798 1.829 1.079 0.692 1.944 1.169 0.300 0.240 0.286 0.226 0.306 0.396 0.304 4.578 2.271 0.347 0.273 0.517 0.377 0.393 0.300 609 114 1.267 0.883 0.964 0.710 0.823 0.616 0.837 0.621 0.560 0.424 3.035 12.9 4.417 5.474 2.760 1.056 0.747 2.042 1.222 3.823 1.936 3.306 1.679 1.624 1.080 0.679 0.501 0.340 0.273 0.714 0.407 3.840 2.282 0.387 0.301 0.350 5.810 2.603 3.955 1.799 1.957 4.207 1.695 1.314 0.865 0.695 0.507 1.681 1.857 0.631 0.760 0.581 0.603 1.197 1.300 2.047 0.784 5.020 0.508 7.288 1.085 1.178 6.271 0.637 0.918 0.723 3.337 1.357 0.737
0.482 0.561 0.445 0.457 0.817 0.911 1.231 0.579 2.656 0.385 3.232 0.702 0.762 2.631 0.466 0.619 0.511 1.892 0.931 0.547
75°C 1.648 0.485 0.782
0.242 1.270 0.221 0.288 0.237 31.5 0.662 0.547 0.482 0.483 0.333 1.562 2.093 1.618 0.554 0.825 1.198 1.014 0.769 0.390 0.226 0.297 1.488 0.243
100°C 0.362 0.565
0.781 0.228 11.7 0.524 0.437 0.391 0.390 0.270 0.961 1.207 1.055 0.427 0.606 0.839 0.699 0.577 0.316
1.041
1.389 0.987 0.976 0.882 0.600 0.390
0.849 0.615 0.584 0.539 0.434 0.310 0.634
1.102 0.380 0.432 0.353 0.359 0.594 0.675 0.825
0.815 0.304 0.345 0.289 0.290 0.453 0.523 0.596
1.654 0.302 1.681 0.497 0.536 1.360 0.356 0.449 0.384 1.201 0.692
1.147 0.243 0.991 0.375 0.401 0.810 0.281 0.345 0.303 0.833 0.545
4/29/05 4:20:21 PM
Viscosity of Liquids Molecular formula C9H14O C9H18O C9H18O2 C9H20 C9H20O C10H10O4 C10H14 C10H18 C10H18 C10H20O2 C10H22 C10H22O C11H24 C12H10O C12H26 C13H12 C13H28 C14H30 C16H22O4 C16H34 C18H38
Section6.indb 179
6-179 Name
Isophorone 5-Nonanone Nonanoic acid Nonane 1-Nonanol Dimethyl phthalate Butylbenzene cis-Decahydronaphthalene trans-Decahydronaphthalene Decanoic acid Decane 1-Decanol Undecane Diphenyl ether Dodecane Diphenylmethane Tridecane Tetradecane Dibutyl phthalate Hexadecane Octadecane
–25°C
0°C 4.201
0.964 63.2 12.8 6.192
5.645 3.243
2.188
1.277 1.707 2.277 2.909
483
66.4
Viscosity in mPa s 25°C 50°C 2.329 1.415 1.199 0.834 7.011 3.712 0.665 0.488 9.123 4.032 14.4 5.309 0.950 0.683 3.042 1.875 1.948 1.289 4.327 0.838 0.598 10.9 4.590 1.098 0.763 2.130 1.383 0.930 1.724 2.128 16.6 3.032
1.129 1.376 6.470 1.879 2.487
75°C 0.923 0.619 2.234 0.375
100°C 0.638 0.484 1.475 0.300
2.824 0.515 1.271 0.917 2.651 0.453
1.980
0.562 1.407 0.673 1.265 0.796 0.953 3.495 1.260 1.609
0.433 1.023 0.514 0.929 0.594 0.697 2.425 0.899 1.132
0.924 0.689 0.359
4/29/05 4:20:21 PM
THERMAL CONDUCTIVITY OF GASES This table gives the thermal conductivity of several gases as a function of temperature. Unless otherwise noted, the values refer to a pressure of 100 kPa (1 bar) or to the saturation vapor pressure if that is less than 100 kPa. The notation P = 0 indicates the low MF Ar BF3 ClH F6S H2 H2O H2S H3N He Kr NO N2 N2O Ne O2 O2S Xe CCl2F2 CF4 CO CO2 CHCl3 CH4 CH4O C2Cl2F4 C2Cl3F3 C2H2 C2H4 C2H6 C2H6O C3H6O C3H8 C4F8 C4H10 C4H10 C4H10O C5H12 C6H14
Name
Air Argon Boron trifluoride Hydrogen chloride Sulfur hexafluoride (P = 0) Hydrogen (P = 0) Water Deuterium oxide Hydrogen sulfide Ammonia Helium (P = 0) Krypton (P = 0) Nitric oxide Nitrogen Nitrous oxide Neon (P = 0) Oxygen Sulfur dioxide Xenon (P = 0) Dichlorodifluoromethane Tetrafluoromethane (P = 0) Carbon monoxide (P = 0) Carbon dioxide Trichloromethane Methane Methanol 1,2-Dichlorotetrafluoroethane 1,1,2-Trichlorotrifluoroethane Acetylene Ethylene Ethane Ethanol Acetone Propane Perfluorocyclobutane Butane Isobutane Diethyl ether Pentane Hexane
100 K 9.4 6.2
68.6
75.5 3.3 9.8 22.3 9.3 2.0
pressure limiting value is given. In general, the P = 0 and P = 100 kPa values differ by less than 1%. Units are milliwatts per meter kelvin. Substances are listed in the modified Hill order.
Thermal conductivity in mW/m K 200 K 300 K 400 K 500 K 18.4 26.2 33.3 39.7 12.4 17.9 22.6 26.8 19.0 24.6 9.2 14.5 19.5 24.0 13.0 20.6 27.5 131.7 186.9 230.4 18.7 27.1 35.7 27.0 36.5 14.6 20.5 26.4 24.4 37.4 51.6 119.3 156.7 190.6 222.3 6.4 9.5 12.3 14.8 17.8 25.9 33.1 39.6 18.7 26.0 32.3 38.3 9.8 17.4 26.0 34.1 37.6 49.8 60.3 69.9 18.4 26.3 33.7 41.0 9.6 14.3 20.0 3.6 5.5 7.3 8.9 9.9 15.0 20.1 16.0 24.1 32.2 25.0 32.3 39.2 9.6 16.8 25.1 33.5 7.5 11.1 15.1 22.5 34.1 49.1 66.5 26.2 38.6 10.25 15.7 21.1 9.0 13.6 18.3 21.4 33.3 45.4 11.1 20.5 34.6 49.9 11.0 21.3 35.4 52.2 14.4 25.8 38.4 11.5 20.2 30.6 18.0 30.6 45.5 12.5 19.5 16.4 28.4 43.0 16.1 27.9 42.1 15.1 25.0 37.1 14.4 24.9 37.8 23.4 35.4
References 1. Kadoya, K. Matsunaga, N., and Nagashima, A., Viscosity and thermal conductivity of dry air in the gaseous phase, J. Phys. Chem. Ref. Data, 14, 947, 1985. 2. Younglove, B. A. and Hanley, H. J. M., The viscosity and thermal conductivity coefficients of gaseous and liquid argon, J. Phys. Chem. Ref. Data, 15, 1323, 1986.
600 K 45.7 30.6 28.1 33.8 47.1 47.6 32.4 66.8 252.4 17.1 46.2 44.0 41.8 78.7 48.1 25.6 10.4 25.2 39.9 45.7 41.6 84.1 53.0
56.8 68.6 70.5 53.2 42.7 61.9 59.1 57.6 52.7 48.7
Ref. 1 2,8 11 11 16 4 6 7 11 11 8 8 11 12 11 8 10 11 8 13 16 14 9 11 5,15 11 13 13 11 3 5 11 11 5 13 5 5 11 11 11
3. Holland, P. M., Eaton, B. E., and Hanley, H. J. M., A correlation of the viscosity and thermal conductivity data of gaseous and liquid ethylene, J. Phys. Chem. Ref. Data, 12, 917, 1983. 4. Assael, M. J., Mixafendi, S., and Wakeham, W. A., The viscosity and thermal conductivity of normal hydrogen in the limit of zero density, J. Phys. Chem. Ref. Data, 15, 1315, 1986. 5. Younglove, B. A. and Ely, J. F., Thermophysical properties of fluids. II. Methane, ethane, propane, isobutane, and normal butane, J. Phys. Chem. Ref. Data, 16, 577, 1987.
6-184
Section6.indb 184
4/29/05 4:20:30 PM
Thermal Conductivity of Gases 6. Sengers, J. V. and Watson, J. T. R., Improved international formulations for the viscosity and thermal conductivity of water substance, J. Phys. Chem. Ref. Data, 15, 1291, 1986. 7. Matsunaga, N. and Nagashima, A., Transport properties of liquid and gaseous D2O over a wide range of temperature and pressure, J. Phys. Chem. Ref. Data, 12, 933, 1983. 8. Kestin, J. et al., Equilibrium and transport properties of the noble gases and their mixtures at low density, J. Phys. Chem. Ref. Data, 13, 229, 1984. 9. Vescovic, V. et al., The transport properties of carbon dioxide, J. Phys. Chem. Ref. Data, 19, 1990. 10. Younglove, B. A., Thermophysical properties of fluids. I. Argon, ethylene, parahydrogen, nitrogen, nitrogen trifluoride, and oxygen, J. Phys. Chem. Ref. Data, 11, Suppl. 1, 1982. 11. Ho, C. Y., Ed., Properties of Inorganic and Organic Fluids, CINDAS Data Series on Materials Properties, Volume V-1, Hemisphere Publishing Corp., New York, 1988.
Section6.indb 185
6-185 12. Stephen, K., Krauss, R., and Laesecke, A., Viscosity and thermal conductivity of nitrogen for a wide range of fluid states, J. Phys. Chem. Ref. Data, 16, 993, 1987. 13. Krauss, R. and Stephan, K., Thermal conductivity of refrigerants in a wide range of temperature and pressure, J. Phys. Chem. Ref. Data, 18, 43, 1989. 14. Millat, J. and Wakeham, W. A., The thermal conductivity of nitrogen and carbon monoxide in the limit of zero density, J. Phys. Chem. Ref. Data, 18, 565, 1989. 15. Friend, D. G., Ely, J. F., and Ingham, H., Thermophysical properties of methane, J. Phys. Chem. Ref. Data, 18, 583, 1989. 16. Uribe, F. J., Mason, E. A., and Kestin, J., Thermal conductivity of nine polyatomic gases at low density, J. Phys. Chem. Ref. Data, 19, 1123, 1990.
4/29/05 4:20:31 PM
THERMAL CONDUCTIVITY OF LIQUIDS This table gives the thermal conductivity of about 275 liquids at temperatures between –25 and 100°C. Values refer to nominal atmospheric pressure; when an entry is given for a temperature above the normal boiling point of the liquid, the pressure is understood to be the saturation vapor pressure at that temperature. Reference 1 contains data on many of these liquids at high pressures. Data on halocarbon refrigerants over a wide range of temperature and pressure may be found in Reference 6. Values given to three decimal places (i.e., to 0.001 W/m K) have an uncertainty of 2% to 5%. Values given to 0.0001 W/m K should be accurate to 1% or better. Substances are arranged by molecular formula in Hill order, except that compounds not containing carbon precede those that do contain carbon.
References 1. Vargaftik, N. B., Filippov, L. P., Tarzimanov, A. A., and Totskii, E. E., Handbook of Thermal Conductivity of Liquids and Gases , CRC Press, Boca Raton FL, 1994.
Molecular formula Cl4Ge Cl4Si Cl4Sn Cl4Ti H2O Hg CCl3F CCl4 CHCl3 CH2Br2 CH2Cl2 CH2I2 CH2O2 CH3NO2 CH4O CS2 C2Br2F4 C2Cl3F3 C2Cl4 C2Cl4F2 C2HCl3 C2H2Cl4 C2H3Cl3 C2H3N C2H4Br2 C2H4Cl2 C2H4O2 C2H4O2 C2H5Br C2H5Cl C2H5I C2H5NO C2H5NO2 C2H6O C2H6O2 C2H7NO
2. Daubert, T. E., Danner, R. P., Sibul, H. M., and Stebbins, C. C., Physical and Thermodynamic Properties of Pure Compounds: Data Compilation, extant 1994 (core with four supplements), Taylor and Francis, Bristol, PA (also available as a database). 3. Watanabe, H., J. Chem. Eng. Data 48, 124, 2003. 4. Watanabe, H., and Seong, D. J., Int. J. Thermophys. 23, 337, 2002. 5. Nieto de Castro, C. A., Li, S. F. Y., Nagashima, A., Trengove, R. D., and Wakeham, W. A., J. Phys. Chem. Ref. Data 15, 1073, 1986. 6. Krauss, R., and Stephan, K., J. Phys. Chem. Ref. Data 18, 43, 1989. 7. Assael, M. J., Ramires, M. L. V., Nieto de Castro, C. A., and Wakeham, W. A., J. Phys. Chem. Ref. Data 19, 113, 1990. 8. Ramires, M. L. V., Nieto de Castro, C. A., Nagasaka, Y., Nagashima, A., Assael, M. J., and Wakeham, W. A., J. Phys. Chem. Ref. Data 24, 1377, 1995. 9. Ramires, M. L. V., Nieto de Castro, C. A., Perkins, R. A., Nagasaka, Y., Nagashima, A., Assael, M. J., and Wakeham, W. A., J. Phys. Chem. Ref. Data 29, 133, 2000. 10. Marsh, K. N., Ed., Recommended Reference Materials for the Realization of Physicochemical Properties , Blackwell Scientific Publications, Oxford, 1987. 11. Beaton, C. F., and Hewitt, G. F., Physical Property Data for the Design Engineer, Hemisphere Publishing Corp., New York, 1989. Thermal conductivity in W/m K
Name Germanium(IV) chloride Tetrachlorosilane Tin(IV) chloride Titanium(IV) chloride Water Mercury Trichlorofluoromethane Tetrachloromethane Trichloromethane Dibromomethane Dichloromethane Diiodomethane Formic acid Nitromethane Methanol Carbon disulfide 1,2-Dibromotetrafluoroethane 1,1,2-Trichloro-1,2,2-trifluoroethane Tetrachloroethene 1,1,2,2-Tetrachloro-1,2-difluoroethane Trichloroethene 1,1,2,2-Tetrachloroethane 1,1,1-Trichloroethane Acetonitrile 1,2-Dibromoethane 1,2-Dichloroethane Acetic acid Methyl formate Bromoethane Chloroethane Iodoethane N-Methylformamide Nitroethane Ethanol 1,2-Ethanediol Ethanolamine
–25°C 0.111
0°C 0.105
0.123
0.117 0.143 0.5562 8.175 0.096 0.109 0.122 0.114 0.149
7.85 0.102 0.127 0.120 0.158
0.226 0.218 0.071 0.0847
0.128 0.124
0.215 0.210 0.154 0.066 0.0790 0.117
0.208
0.121 0.118 0.106 0.198
0.144
0.139
0.107 0.145
0.194 0.104 0.132 0.091
0.181
0.174 0.248
25°C 0.100 0.099 0.112 0.138 0.6062 8.514 0.089 0.103 0.117 0.108 0.140 0.098 0.267 0.204 0.202 0.149 0.061 0.0736 0.110 0.082 0.114 0.111 0.101 0.188 0.100 0.133 0.158 0.187 0.101 0.119 0.087 0.203 0.173 0.167 0.254 0.240
50°C 0.095 0.096 0.106 0.134 0.6423 8.842 0.083 0.098 0.112 0.103 0.133 0.093 0.265 0.193 0.195
75°C 0.090
0.057 0.0683 0.104 0.078 0.106 0.104 0.096 0.178 0.096 0.128 0.153
0.053
0.106 0.083 0.201 0.161 0.160 0.258 0.238
0.093 0.079 0.199 0.149 0.153 0.261 0.236
0.101 0.129 0.6643 9.161 0.076 0.092 0.107 0.097 0.128 0.088 0.263 0.182 0.189
0.098 0.074 0.098 0.098 0.168 0.092 0.122 0.149
100°C 0.084
Ref. 1 2 0.095 1 0.124 1 0.6729 8 9.475 11 0.070 1 0.087 1 0.102 2 2 0.127 1 0.083 1 0.261 1 0.171 1 0.182 1 2 0.049 1 6 0.093 1 0.069 1 0.090 1 0.091 1 2 2 0.088 1 0.117 1 0.144 2 1 1 2 1 0.196 2 1 0.148 1 0.261 1 1
6-186
6-187
Thermal Conductivity of Liquids
Molecular formula C3F8 C3H3N C3H5ClO C3H6O C3H6O C3H6O C3H6O2 C3H6O2 C3H6O2 C3H7Br C3H7Cl C3H7I C3H7I C3H7NO C3H7NO2 C3H8O C3H8O C3H8O2 C3H8O2 C3H8O3 C3H9N C 4F 8 C4H4O C4H4S C 4H 6 C 4H 6 C4H6O2 C4H6O3 C4H8O C4H8O C4H8O C4H8O2 C4H8O2 C4H8O2 C4H8O2 C4H9Br C4H9I C4H9NO C4H10O C4H10O C4H10O C4H10O2 C5H5N C5H6O2 C5H 8 C 5H 8 C 5H 8 C5H8O2 C5H8O2 C5H9NO C5H10 C5H10 C5H10O C5H10O C5H10O C5H10O2 C5H10O2 C5H10O2 C5H10O2 C5H10O2 C5H11Br C5H11Cl
Thermal conductivity in W/m K Name Perfluoropropane Acrylonitrile Epichlorohydrin Allyl alcohol Acetone Methyloxirane Propanoic acid Ethyl formate Methyl acetate 1-Bromopropane 1-Chloropropane 1-Iodopropane 2-Iodopropane N,N-Dimethylformamide 1-Nitropropane 1-Propanol 2-Propanol 1,2-Propanediol 2-Methoxyethanol Glycerol Trimethylamine Perfluorocyclobutane Furan Thiophene 1,2-Butadiene 2-Butyne Vinyl acetate Acetic anhydride Butanal 2-Butanone Tetrahydrofuran Propyl formate Ethyl acetate Methyl propanoate 1,4-Dioxane 1-Bromobutane 1-Iodobutane N,N-Dimethylacetamide 1-Butanol 2-Methyl-2-propanol Diethyl ether 2-Ethoxyethanol Pyridine Furfuryl alcohol 2-Methyl-1,3-butadiene 1-Pentyne Cyclopentene Methyl methacrylate 2,4-Pentanedione N-Methyl-2-pyrrolidone 1-Pentene Cyclopentane Pentanal 2-Pentanone 3-Pentanone Pentanoic acid Butyl formate Propyl acetate Ethyl propanoate Methyl butanoate 1-Bromopentane 1-Chloropentane
–25°C 0.062 0.186 0.142
0°C 0.056 0.176 0.137
0.181 0.174 0.108 0.129 0.096 0.089
0.169 0.181 0.147 0.171 0.164 0.104 0.123 0.092 0.085
0.162 0.146 0.199
0.158 0.141 0.200
0.143 0.082 0.142
0.133 0.072 0.134
0.147 0.137
0.134 0.129
0.158 0.132
0.170 0.155 0.151 0.126 0.151 0.151
0.112
0.131 0.140
0.113
75°C 0.041 0.146 0.119
100°C 0.035 0.136 0.114
0.141 0.149 0.143 0.094 0.110 0.083 0.078 0.175 0.144 0.149 0.129 0.200 0.180 0.288
0.139 0.138 0.133
0.136
0.104 0.078 0.074 0.167 0.137 0.145 0.124 0.199 0.170 0.292
0.063 0.126 0.199
0.053
0.044
0.034
0.195
0.191
0.186
0.141 0.158 0.140 0.139 0.114 0.137 0.136 0.137 0.147 0.098 0.085 0.172 0.147 0.110 0.120 0.182 0.162
0.131 0.152 0.132 0.133
0.120 0.146
0.146
0.109 0.125
0.140 0.105 0.120
0.107 0.094
0.140 0.171
0.141 0.144 0.143
50°C 0.046 0.156 0.125
0.121 0.151 0.164 0.147 0.145 0.120 0.144 0.144 0.141 0.159 0.103 0.090 0.175 0.153 0.112 0.130 0.190 0.166 0.179 0.119 0.127 0.129 0.147 0.154 0.167 0.116 0.126 0.139 0.142 0.144 0.140 0.136 0.140
0.158 0.150
25°C 0.051 0.166 0.131 0.162 0.161 0.171 0.144 0.160 0.153 0.099 0.116 0.087 0.082 0.183 0.152 0.154 0.135 0.200 0.190 0.285
0.130 0.136 0.136 0.156
0.124 0.133 0.146 0.149 0.151
0.122 0.098 0.074 0.071 0.159 0.141 0.118 0.197 0.296
0.130
0.135 0.093 0.081 0.168 0.142 0.109 0.110 0.174 0.157
0.123 0.088 0.077 0.137 0.108 0.100 0.165 0.153
0.119 0.137 0.150 0.162
0.127 0.146 0.157
0.117 0.143
0.133 0.135 0.137 0.137 0.130 0.135 0.133
0.127 0.128 0.129 0.133 0.123 0.130 0.121
0.121 0.121 0.122 0.130 0.117 0.124
0.101 0.115
0.097 0.109
0.093
Ref. 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 2 1 2 2 1 2 1 1 1 2 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1
Thermal Conductivity of Liquids
Molecular formula C5H11I C5H12 C5H12 C5H12O C5H12O C5H12O2 C5H12O3 C6F 6 C6F14 C6H3Cl3 C6H3Cl3 C6H4Cl2 C6H4Cl2 C6H4Cl2 C6H5Br C6H5Cl C6H5F C6H5I C6H5NO2 C6H 6 C6H6ClN C6H6O C6H7N C6H8N2 C6H10 C6H10O C6H10O C6H10O3 C6H10O4 C6H12 C6H12 C6H12O C6H12O C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O2 C6H12O3 C6H13Br C6H13I C6H14 C6H14 C6H14 C6H14 C6H14 C6H14O C6H14O C6H14O2 C6H14O3 C6H14O4 C6H15N C7F16 C7H5N C7H6O C 7H 8 C7H8O C7H8O C7H8O C7H8O C7H9N C7H9N
6-188 Thermal conductivity in W/m K
Name 1-Iodopentane Pentane Isopentane 1-Pentanol 2-Methyl-2-butanol 1,5-Pentanediol Diethylene glycol monomethyl ether Hexafluorobenzene Perfluorohexane 1,2,3-Trichlorobenzene 1,2,4-Trichlorobenzene o-Dichlorobenzene m-Dichlorobenzene p-Dichlorobenzene Bromobenzene Chlorobenzene Fluorobenzene Iodobenzene Nitrobenzene Benzene 2-Chloroaniline Phenol Aniline Hexanedinitrile Cyclohexene Cyclohexanone Mesityl oxide Ethyl acetoacetate Diethyl oxalate 1-Hexene Cyclohexane 2-Hexanone Cyclohexanol Hexanoic acid Butyl acetate Propyl propanoate Ethyl butanoate Methyl pentanoate Paraldehyde 1-Bromohexane 1-Iodohexane Hexane 2-Methylpentane 3-Methylpentane 2,2-Dimethylbutane 2,3-Dimethylbutane 1-Hexanol Dipropyl ether 1,2-Diethoxyethane Diethylene glycol monoethyl ether Triethylene glycol Triethylamine Perfluoroheptane Benzonitrile Benzaldehyde Toluene o-Cresol m-Cresol Benzyl alcohol Anisole 2-Methylaniline 3-Methylaniline
–25°C 0.130 0.159
0°C 0.096 0.1207 0.155 0.119 0.221
25°C 0.092 0.1113 0.111 0.150 0.116 0.222 0.190
0.067
0.065
0.125 0.120
0.112 0.121 0.116
0.119 0.137
0.115 0.132
0.106
0.103
0.111 0.127 0.136 0.101 0.149 0.1411 0.148
50°C 0.088 0.1018
75°C 0.084 0.0923
0.145 0.113
0.141 0.109
0.185 0.083 0.064 0.110 0.109 0.117 0.113 0.112 0.107 0.123 0.131 0.098 0.145 0.1329
0.180
0.108 0.106 0.113 0.109 0.108 0.103 0.118 0.126 0.095 0.142 0.1247
0.153
0.149
0.168 0.124 0.134 0.149 0.152
0.118 0.130 0.142 0.148
0.175 0.142
0.136
0.170
0.163
0.138
0.129 0.156 0.148 0.143 0.143 0.143
0.115 0.133 0.120 0.122 0.108 0.115 0.161
0.111 0.098 0.1250 0.1127 0.1142 0.1006 0.1076 0.157 0.137
0.146 0.068
0.193 0.139 0.064
0.1455
0.1385
0.174 0.130 0.138 0.156 0.155 0.157 0.121 0.123 0.145 0.138 0.142 0.136 0.137 0.138 0.130 0.108 0.095 0.1167 0.1050 0.1064 0.0934 0.1003 0.152 0.130
0.195 0.132 0.060 0.148 0.153 0.1310 0.149 0.159 0.145 0.162 0.161
0.113 0.117 0.134 0.134 0.137 0.130 0.133 0.131 0.132
0.111 0.124 0.130 0.131 0.123 0.126 0.127
0.104 0.091 0.1083 0.0972 0.0986 0.0861 0.0930 0.147 0.123 0.140 0.188 0.196 0.125 0.056 0.142 0.148 0.1235
0.101 0.088 0.0999 0.0894 0.0909 0.0788 0.0857 0.142 0.117 0.133 0.184 0.196 0.118 0.053 0.136 0.143 0.1162
0.147 0.158 0.142
0.145 0.156 0.139
100°C 0.081 0.083
Ref. 1 4 1 0.136 1 0.106 1 1 0.175 1 1 1 0.106 1 1 0.109 1 1 0.105 1 0.099 1 0.113 1 1 0.092 1 0.139 1 7 1 0.147 1 1 1 2 0.126 1 0.134 2 0.144 1 1 1 2 0.115 1 0.126 1 1 0.116 1 1 1 1 1 0.097 1 0.084 1 0.092 4 0.082 3 0.083 3 0.072 3 0.078 3 0.137 1 1 0.125 1 0.180 1 0.196 1 0.111 1 1 0.130 1 0.139 1 0.1095 9 1 1 0.154 1 0.136 1 1 1
6-189
Thermal Conductivity of Liquids
Molecular formula C7H14 C7H14 C7H14O C7H14O C7H14O C7H14O2 C7H14O2 C7H14O2 C7H14O2 C7H14O2 C7H14O2 C7H16 C7H16 C7H16 C7H16 C7H16 C7H16 C7H16 C7H16 C7H16 C7H16O C8F18 C8H 8 C8H8O C8H8O2 C8H10 C8H10 C8H10 C8H10 C8H10O C8H10O2 C8H11N C8H11N C8H16 C8H16O C8H16O2 C8H16O2 C8H16O2 C8H16O2 C8H16O2 C8H17Cl C8H18 C8H18 C8H18 C8H18 C8H18 C8H18O C8H18O C8H18O C8H18O3 C8H18O4 C8H18O5 C9H7N C9H10 C9H10O2 C9H12 C9H12 C9H12 C9H12 C9H18 C9H18O2 C9H18O2
Thermal conductivity in W/m K Name 1-Heptene Cycloheptane Heptanal 3-Heptanone 4-Heptanone Hexyl formate Heptanoic acid Pentyl acetate Butyl propanoate Ethyl pentanoate Methyl hexanoate Heptane 2-Methylhexane 3-Methylhexane 3-Ethylpentane 2,2-Dimethylpentane 2,3-Dimethylpentane 2,4-Dimethylpentane 3,3-Dimethylpentane 2,2,3-Trimethylbutane 1-Heptanol Perfluorooctane Styrene Acetophenone Methyl benzoate Ethylbenzene o-Xylene m-Xylene p-Xylene Ethoxybenzene 2-Phenoxyethanol N-Ethylaniline N,N-Dimethylaniline 1-Octene 2-Octanone Heptyl formate Octanoic acid Hexyl acetate Pentyl propanoate Ethyl hexanoate 1-Chlorooctane Octane 2-Methylheptane 3-Methylheptane 2,2,4-Trimethylpentane 2,3,4-Trimethylpentane Ethyl hexyl ether 1-Octanol Dibutyl ether Diethylene glycol monobutyl ether Triethylene glycol dimethyl ether Tetraethylene glycol Quinoline Indan Ethyl benzoate Propylbenzene Isopropylbenzene 1,2,4-Trimethylbenzene 1,3,5-Trimethylbenzene 1-Nonene Nonanoic acid Heptyl acetate
–25°C 0.139
0°C 0.132
0.143
0.141
0.1378 0.125 0.126 0.128 0.111 0.120 0.116 0.113 0.107 0.160 0.148
0.1303 0.1177 0.1184 0.1203 0.1046 0.1127 0.1089 0.1068 0.1011 0.158 0.066 0.142
0.143
0.137
0.151
0.145
0.139
0.139 0.127 0.128 0.107 0.115
0.133 0.141 0.141
0.142 0.130 0.1317 0.1206 0.1216 0.1007 0.1093 0.131 0.162 0.139
0.134 0.132
0.130 0.128
0.143 0.136
0.139 0.130
25°C 0.125 0.123 0.140 0.137 0.136 0.141 0.140 0.134 0.139 0.132 0.136 0.1228 0.1105 0.1112 0.1128 0.0980 0.1059 0.1020 0.1001 0.0950 0.153 0.062 0.137 0.147 0.147 0.130 0.131 0.130 0.130 0.140 0.169 0.150 0.122 0.126 0.135 0.137 0.146 0.135 0.138 0.137 0.127 0.1244 0.1139 0.1149 0.0948 0.1035 0.126 0.158 0.132 0.163 0.169 0.191 0.147 0.135 0.141 0.125 0.123 0.129 0.134 0.123 0.150 0.135
50°C 0.118 0.118
75°C 0.111 0.112
100°C
0.131 0.131 0.133 0.137 0.126 0.133
0.125 0.125 0.126 0.133 0.120 0.126
0.119 0.120 0.119
0.131 0.1152 0.1033 0.1040 0.1053 0.0913 0.0990 0.0951 0.0934 0.0889 0.149 0.059 0.131 0.146
0.126 0.1077 0.0961 0.0968 0.0978 0.0847 0.0922 0.0882 0.0867 0.0828 0.144 0.055 0.126 0.144
0.121
0.123 0.126 0.124 0.124 0.135 0.168
0.116 0.120 0.118 0.118 0.130 0.166
0.119 0.120 0.129 0.132 0.143 0.129 0.132 0.133 0.124 0.1171 0.1072 0.1081 0.0888 0.0976 0.120 0.153 0.125 0.158 0.158 0.192 0.144
0.115 0.114 0.124 0.128 0.139 0.123
0.120 0.118 0.124 0.129 0.116 0.146 0.128
0.108
0.113 0.121
0.089 0.090 0.090 0.078 0.085 0.081 0.080 0.077 0.139 0.052 0.120 0.142 0.110 0.114 0.113 0.112 0.165
0.107 0.118 0.123 0.135 0.118
0.128 0.121 0.1097 0.1005 0.1014 0.0829 0.0918 0.114 0.148 0.118 0.153 0.147
0.123 0.119 0.102 0.094 0.095 0.077 0.086 0.109 0.143 0.112 0.148
0.141
0.138
0.115 0.112 0.118 0.123 0.110 0.142 0.122
0.109 0.107 0.114 0.117 0.104 0.138 0.116
Ref. 1 1 1 1 1 1 1 1 1 1 1 5 3 3 3 3 3 3 3 3 1 1 2 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 4 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
Thermal Conductivity of Liquids
Molecular formula C9H19Br C9H19Cl C9H19I C9H20 C9H20O C10H7Br C10H7Cl C10H10O4 C10H12 C10H14 C10H14 C10H14 C10H14 C10H14 C10H18 C10H20 C10H20O C10H20O2 C10H20O2 C10H20O2 C10H22 C10H22O C10H22O C10H22O2 C11H16 C11H22 C11H22O C11H22O2 C11H22O2 C11H22O2 C11H24 C11H24O C12H10O C12H14O4 C12H16 C12H18 C12H24O2 C12H24O2 C12H26 C12H26O C12H26O3 C12H27N C13H26 C13H28 C14H28 C14H30 C14H30O C16H22O4 C16H34 C18H38 C20H40O2 C22H42O2 C22H42O4
6-190 Thermal conductivity in W/m K
Name 1-Bromononane 1-Chlorononane 1-Iodononane Nonane 1-Nonanol 1-Bromonaphthalene 1-Chloronaphthalene Dimethyl phthalate 1,2,3,4-Tetrahydronaphthalene Butylbenzene sec-Butylbenzene, (±)tert-Butylbenzene 1-Isopropyl-4-methylbenzene o-Diethylbenzene trans-Decahydronaphthalene 1-Decene Decanal Heptyl propanoate Hexyl butanoate Decanoic acid Decane 1-Decanol Dipentyl ether 1,2-Dibutoxyethane Pentylbenzene 1-Undecene 6-Undecanone Undecanoic acid Octyl propanoate Heptyl butanoate Undecane 1-Undecanol Diphenyl ether Diethyl phthalate Cyclohexylbenzene Hexylbenzene Decyl acetate Octyl butanoate Dodecane 1-Dodecanol Diethylene glycol dibutyl ether Tributylamine 1-Tridecene Tridecane 1-Tetradecene Tetradecane 1-Tetradecanol Dibutyl phthalate Hexadecane Octadecane Butyl palmitate Butyl oleate Dioctyl hexanedioate
–25°C
0.141
0°C 0.116 0.132 0.105 0.1337 0.164
0.129 0.132
0.127 0.133
0.138
0.132 0.149
0.142
0.1360
0.135
25°C 0.112 0.128 0.102 0.1269 0.159 0.110 0.126 0.1473 0.131 0.126 0.124 0.117 0.122 0.127 0.113 0.126 0.144 0.137 0.137 0.1296 0.162 0.131 0.140 0.130 0.126 0.137 0.135 0.139 0.136 0.169
0.141
0.150
0.139
0.172 0.121 0.137 0.146 0.139 0.135 0.146 0.129 0.130 0.130 0.136 0.139 0.136 0.140 0.151 0.157 0.157
50°C 0.109 0.124 0.099 0.1201 0.155 0.109
75°C 0.106 0.120 0.095 0.1133 0.150 0.108
0.1443 0.129 0.121 0.119 0.114 0.117 0.122
0.1409 0.128 0.116 0.114 0.110 0.112 0.116
0.120 0.139 0.132 0.132 0.148 0.1232 0.159 0.125 0.134 0.125 0.118 0.132 0.153 0.130 0.134 0.128 0.165 0.139 0.169 0.119 0.132 0.136 0.134 0.130 0.167 0.143
0.114 0.134 0.127 0.127 0.144 0.1167 0.155 0.121 0.127 0.120 0.114 0.127 0.149 0.125 0.129 0.122 0.161 0.135 0.166 0.117 0.128 0.126 0.129 0.124 0.163 0.139
0.125 0.125 0.131 0.134 0.167 0.134 0.135 0.146 0.148 0.153 0.153
0.120 0.120 0.126 0.129 0.162 0.131 0.130 0.142 0.144 0.149 0.149
100°C 0.103 0.115 0.092 0.106 0.145 0.106
Ref. 1 1 1 4 1 1 1 0.1373 10 0.126 1 0.111 1 0.108 1 0.106 1 0.107 2 0.111 1 1 0.109 1 0.129 1 0.122 1 0.121 1 0.140 1 0.110 4 0.151 1 0.116 1 0.120 1 0.115 1 0.108 1 1 1 0.120 1 0.123 1 0.116 1 0.158 1 0.131 2 1 1 0.124 1 1 0.125 1 0.119 1 0.159 1 0.135 1 1 0.115 1 0.115 1 0.121 1 0.124 1 0.157 2 0.129 1 0.125 2 0.137 2 0.140 1 0.145 1 0.145 1
DIFFUSION IN GASES This table gives binary diffusion coefficients D12 for a number of common gases as a function of temperature. Values refer to atmospheric pressure. The diffusion coefficient is inversely proportional to pressure as long as the gas is in a regime where binary collisions dominate. See Reference 1 for a discussion of the dependence of D12 on temperature and composition. The first part of the table gives data for several gases in the presence of a large excess of air. The remainder applies to equimolar
mixtures of gases. Each gas pair is ordered alphabetically according to the most common way of writing the formula. The listing of pairs then follows alphabetical order by the first constituent.
References 1. Marrero, T. R., and Mason, E. A., J. Phys. Chem. Ref. Data, 1, 1, 1972. 2. Kestin, J., et al., J. Phys. Chem. Ref. Data, 13, 229, 1984.
D12/cm2 sâ&#x20AC;&#x201C;1 for p = 101.325 kPa and the Specified T/K System
200
273.15
293.15
373.15
473.15
573.15
673.15
0.167
0.617
0.189 0.210 0.208 0.160 0.756 0.242 0.697
0.289 0.321 0.315 0.252 1.153 0.399 1.057 0.150
0.437 0.485 0.475 0.390 1.747 0.638 1.594 0.233
0.612 0.678 0.662 0.549 2.444 0.873 2.221 0.329
0.810 0.899 0.875 0.728 3.238 1.135 2.933 0.438
0.168 0.129 0.698 0.645 0.117 0.168 0.277 0.166
0.190 0.148 0.794 0.726 0.134 0.190 0.313 0.187
0.052
0.095
0.108 0.708 0.650 0.208 0.220
0.876 0.815 0.689 3.496 2.911 0.605 0.815 1.283 0.793 0.389 0.498 3.070 2.784 0.890 0.978 0.482
0.133
0.686 0.619 0.131 0.208
2.423 2.188 0.485 0.673 0.643 0.323
3.196 2.882 0.645 0.878 0.849 0.432
0.315
0.552
0.300
0.513
2.066 0.741
2.745 1.021
0.055 0.131
0.099 0.227
0.553
0.733
0.847 0.535
0.710
0.631 0.775 0.340
1.079 1.320 0.601
0.467 0.439 0.365 1.876 1.617 0.323 0.439 0.710 0.430 0.202 0.264 1.648 1.502 0.480 0.523 0.257 0.384 1.743 1.577 0.346 0.491 0.462 0.226 0.209 1.470 0.496 1.321 0.392 0.276 0.603 0.380 0.155 2.778 3.394 1.607
0.657 0.615 0.517 2.634 2.226 0.456 0.615 0.979 0.600 0.290 0.374 2.311 2.101 0.671 0.736 0.363
0.408 0.365
0.306 0.290 0.235 1.228 1.088 0.210 0.290 0.475 0.285 0.128 0.171 1.084 0.992 0.317 0.341 0.167 0.250 1.162 1.052 0.227 0.336 0.307 0.144 0.133 0.964 0.292 0.878 0.253 0.177 0.395 0.248 0.099 1.846 2.255 1.053
3.866 4.726 2.258
5.103 6.242 2.999
Large Excess of Air Ar-air CH4-air CO-air CO2-air H2-air H2O-air He-air SF6-air Equimolar Mixture Ar-CH4 Ar-CO Ar-CO2 Ar-H2 Ar-He Ar-Kr Ar-N2 Ar-Ne Ar-O2 Ar-SF6 Ar-Xe CH4-H2 CH4-He CH4-N2 CH4-O2 CH4-SF6 CO-CO2 CO-H2 CO-He CO-Kr CO-N2 CO-O2 CO-SF6 CO2-C3H8 CO2-H2 CO2-H2O CO2-He CO2-N2 CO2-N2O CO2-Ne CO2-O2 CO2-SF6 D2-H2 H2-He H2-Kr
0.668
0.381 0.064 0.160
0.162 0.772 0.698 0.149 0.231 0.202 0.084 0.627 0.162 0.580 0.160 0.113 0.258 0.159 1.219 1.490 0.682
6-191
Section6.indb 191
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Diffusion in Gases
6-192 System H2-N2 H2-Ne H2-O2 H2-SF6 H2-Xe H2O-N2 H2O-O2 He-Kr He-N2 He-Ne He-O2 He-SF6 He-Xe Kr-N2 Kr-Ne Kr-Xe N2-Ne N2-O2 N2-SF6 N2-Xe Ne-Xe O2-SF6
Section6.indb 192
200 0.408 0.572
273.15 0.686 0.982 0.692 0.513
0.330 0.365 0.563
0.559 0.619 0.948 0.641
0.282 0.131 0.035
0.478 0.131 0.228 0.064
0.111
0.107 0.193
293.15 0.772 1.109 0.782 0.412 0.581 0.242 0.244 0.629 0.698 1.066 0.723 0.400 0.538 0.149 0.258 0.073 0.317 0.202 0.122 0.219 0.097
373.15 1.162 1.684 1.188 0.649 0.890 0.399 0.403 0.942 1.052 1.592 1.092 0.592 0.807 0.227 0.392 0.116 0.483 0.307 0.148 0.188 0.332 0.154
473.15 1.743 2.541 1.792 0.998 1.349
573.15 2.423 3.541 2.497 1.400 1.885
673.15 3.196 4.677 3.299 1.851 2.493
0.645 1.404 1.577 2.362 1.640 0.871 1.201 0.346 0.587 0.181 0.731 0.462 0.231 0.287 0.498 0.238
0.882 1.942 2.188 3.254 2.276 1.190 1.655 0.485 0.812 0.257 1.021 0.643 0.328 0.404 0.688 0.334
1.147 2.550 2.882 4.262 2.996 1.545 2.168 0.645 1.063 0.344 1.351 0.849 0.436 0.539 0.901 0.441
4/29/05 4:20:34 PM
DIFFUSION COEFFICIENTS IN LIQUIDS AT INFINITE DILUTION This table lists diffusion coefficients DAB at infinite dilution for some binary liquid mixtures. Although values are given to two decimal places, measurements in the literature are often in poor agreement. Therefore most values in the table cannot be relied upon to better than 10%. Solvents are listed in alphabetical order, as are the solutes within each solvent group. Solute Acetic acid Benzoic acid Formic acid Nitrobenzene Tetrachloromethane Trichloromethane Water Acetic acid Aniline Benzoic acid Bromobenzene 2-Butanone Chloroethylene Cyclohexane Ethanol Formic acid Heptane Methanol Toluene 1,2,4-Trichlorobenzene Trichloromethane Adipic acid Benzene Biphenyl Butyric acid p-Dichlorobenzene Methanol Oleic acid Propane Water Benzene Tetrachloromethane Toluene Allyl alcohol Benzene Iodine Iodobenzene 3-Methyl-1-butanol Pyridine Tetrachloromethane Water Acetic acid Acetone 2-Butanone Ethyl benzoate Nitrobenzene Water Benzene Toluene Bromobenzene 2-Butanone Dodecane Iodine Methane Propane Tetrachloromethane Toluene
Solvent Acetone Acetone Acetone Acetone Acetone Acetone Acetone Benzene Benzene Benzene Benzene Benzene Benzene Benzene Benzene Benzene Benzene Benzene Benzene Benzene Benzene 1-Butanol 1-Butanol 1-Butanol 1-Butanol 1-Butanol 1-Butanol 1-Butanol 1-Butanol 1-Butanol Cyclohexane Cyclohexane Cyclohexane Ethanol Ethanol Ethanol Ethanol Ethanol Ethanol Ethanol Ethanol Ethyl acetate Ethyl acetate Ethyl acetate Ethyl acetate Ethyl acetate Ethyl acetate Heptane Heptane Hexane Hexane Hexane Hexane Hexane Hexane Hexane Hexane
t/°C 25 25 25 20 25 25 25 25 25 25 8 30 8 25 25 25 25 25 25 8 25 30 25 25 30 25 30 30 25 25 25 25 25 20 25 25 20 20 20 25 25 20 20 30 20 20 25 25 25 8 30 25 25 25 25 25 25
DAB 10–5 cm2 s–1 3.31 2.62 3.77 2.94 3.29 3.64 4.56 2.09 1.96 1.38 1.45 2.09 1.77 2.25 3.02 2.28 1.78 3.80 1.85 1.34 2.26 0.40 1.00 0.63 0.51 0.82 0.59 0.25 1.57 0.56 1.41 1.49 1.57 0.98 1.81 1.32 1.00 0.81 1.10 1.50 1.24 2.18 3.18 2.93 1.85 2.25 3.20 3.91 3.72 2.60 3.74 2.73 4.45 0.09 4.87 3.70 4.21
Reference Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, Sixth Edition, Vol. II/5a, Springer–Verlag, Heidelberg, 1969.
Solute
Acetone Benzene Cyclohexane Ethanol Iodine Trichloromethane Acetic acid Benzene Benzoic acid Cyclohexane Formic acid Water Acetone Benzene 2-Butanone Butyl acetate Diethyl ether Ethanol Ethyl acetate Acetic acid Acetone Acetonitrile Alanine Allyl alcohol Aniline Arabinose Benzene 1-Butanol Caprolactam Chloroethylene Cyclohexane Diethylamine Ethanol Ethanolamine Ethyl acetate Ethylbenzene Ethylene glycol Glucose Glycerol Glycine Lactose Maltose Mannitol Methane Methanol 3-Methyl-1-butanol Methylcyclopentane Phenol 1-Propanol Propene Pyridine Raffinose Sucrose Toluene Urea Urethane
Solvent Tetrachloromethane Tetrachloromethane Tetrachloromethane Tetrachloromethane Tetrachloromethane Tetrachloromethane Toluene Toluene Toluene Toluene Toluene Toluene Trichloromethane Trichloromethane Trichloromethane Trichloromethane Trichloromethane Trichloromethane Trichloromethane Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water Water
t/°C 25 25 25 25 30 25 25 25 25 25 25 25 25 25 25 25 25 15 25 25 25 15 25 15 20 20 20 25 25 25 20 20 25 25 20 20 25 25 25 25 15 15 15 25 15 10 20 20 15 25 25 15 25 20 25 15
DAB 10–5 cm2 s–1 1.75 1.42 1.30 1.90 1.63 1.66 2.26 2.54 1.49 2.42 2.65 6.19 2.55 2.89 2.13 1.71 2.15 2.20 2.02 1.29 1.28 1.26 0.91 0.90 0.92 0.69 1.02 0.56 0.87 1.34 0.84 0.97 1.24 1.08 1.00 0.81 1.16 0.67 1.06 1.05 0.38 0.38 0.50 1.49 1.28 0.69 0.85 0.89 0.87 1.44 0.58 0.33 0.52 0.85 1.38 0.80
6-194
Section6.indb 194
4/29/05 4:20:37 PM
Vapor Pressure of Saturated Salt Solutions This table gives the vapor pressure of water above saturated solutions of some common salts at ambient temperatures. Data on pure water are given on the last line for comparison. The references provide additional information on water activity, osmotic coefficient, and enthalpy of vaporization.
Salt BaCl2 Ca(NO3)2 CuSO4 FeSO4 KBr KIO3 K2CO3 LiCl Mg(NO3)2 MnCl2 NH4Cl NH4NO3 (NH4)2SO4 NaBr NaCl NaNO2 NaNO3 RbCl ZnSO4 Water
487_S06.indb 93
10°C 0.971 0.701 1.113 0.978 0.953 1.100 0.541 0.128 0.726 0.697 0.971 0.853 0.901 0.722 0.921 0.703 0.884 0.862 0.945 1.228
15°C 1.443 1.015 1.574 1.516 1.338 1.564 0.802 0.193 0.999 1.064 1.328 1.152 1.319 1.004 1.285 0.994 1.244 1.215 1.401 1.706
References
1. 2. 3. 4.
Apelblat, A., J. Chem. Thermodynamics, 24, 619, 1992. Apelblat, A., J. Chem. Thermodynamics, 25, 63, 1993. Apelblat, A., J. Chem. Thermodynamics, 25, 1513, 1993. Apelblat, A. and Korin, E., J. Chem. Thermodynamics, 30, 59, 1998.
Vapor Pressure in kPa 20°C 2.073 1.381 2.189 2.208 1.853 2.177 1.134 0.279 1.339 1.515 1.836 1.524 1.871 1.376 1.768 1.381 1.719 1.684 1.986 2.339
25°C 2.887 1.772 2.996 3.035 2.533 2.970 1.536 0.384 1.749 2.020 2.481 1.972 2.573 1.858 2.401 1.888 2.335 2.298 2.698 3.169
30°C 3.903 2.154 4.037 3.950 3.419 3.979 1.997
35°C 5.133 2.487 5.363 4.884 4.563 5.236 2.499
40°C 6.576
2.231 2.535
2.782 3.002
3.397
3.439 2.475 3.218 2.540 3.121 3.088 3.523 4.246
4.474 3.255 4.262 3.368 4.109 4.089 4.431 5.627
6.778 3.016
4.229 5.581 4.403 5.333 5.343 5.382 7.381
Ref. 1 1 3 3 3 4 1 2 1 3 2 2 3 4 4 4 4 4 1
6-93
3/14/06 3:07:57 PM
DIFFUSION OF GASES IN WATER This table gives values of the diffusion coefficient, D, for diffusion of several common gases in water at various temperatures. For simple one-dimensional transport, the diffusion coefficient describes the time-rate of change of concentration, dc/dt, through the equation dc/dt = D d2c/dx2 where x is, for example, the perpendicular distance from a gas–liquid interface. The values below have been selected from the references indicated; in some cases data have been refitted to permit interpolation in temperature. Gas–liquid diffusion coefficients are difficult to measure, and large differences are found between values obtained by differ-
ent authors and through different experimental methods. See References 1 and 2 for a discussion of measurement techniques.
References 1. Jähne, B., Heinz, G., and Dietrich, W., J. Geophys. Res., 92, 10767, 1987. 2. Himmelblau, D. M., Chem. Rev., 64, 527, 1964. 3. Boerboom, A. J. H., and Kleyn, G., J. Chem. Phys., 50, 1086, 1969. 4. O’Brien, R. N., and Hyslop, W. F., Can. J. Chem., 55, 1415, 1977. 5. Maharajh, D. M., and Walkley, J., Can. J. Chem., 51, 944, 1973. 6. Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, Sixth Edition, II/5a, Transport Phenomena I (Viscosity and Diffusion), Springer–Verlag, Heidelberg, 1969.
D/10–5 cm2 s–1 Ar CHCl2F CH3Br CH3Cl CH4 CO2 C2H2 Cl2 HBr HCl H2 H2S He Kr NH3 NO2 N2 N2O Ne O2 Rn SO2 Xe
10˚C
15˚C
20˚C
1.24 1.26 1.43
1.43 1.45 1.59 1.13
1.62 1.67 1.78 1.5
3.62
4.08
4.58
5.67 1.20
6.18 1.39 1.3
6.71 1.60 1.5 1.23
0.81
1.62 3.27 1.67 0.96
0.93
1.08
2.11 3.64 2.01 1.13 1.62 1.27
2.93
25˚C 2.5 1.80 1.35 1.40 1.84 1.91 1.99 1.89 3.15 3.07 5.11 1.36 7.28 1.84 1.4 2.0 2.57 4.03 2.42 1.33 1.83 1.47
30˚C
35˚C
2.08 2.17 2.23
2.35 2.47
5.69
6.31
7.87 2.11
8.48 2.40
1.59
4.45
4.89
1.55 2.07 1.70
1.80 2.32 1.95
Ref. 3,4 5 5 5 1 1 2 2,6 6 6 1 2,6 1,3 1,3 2 2,6 2 2,6 1,3 2,6 1 2 1,3
6-193
Section6.indb 193
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PROPERTIES OF ICE AND SUPERCOOLED WATER The common form of ice at ambient temperature and pressure is hexagonal ice, designated as ice Ih (see phase diagram in Section 12). The data given here refer to that form. Data have been taken from the references indicated; values have been interpolated and smoothed in some cases. All properties are sensitive to the method of preparation of the sample, since air or other gases are sometimes occluded. For this reason there is often disagreement among values found in the literature.
Density values (except at 0°C) and the thermal expansion coefficient were calculated from the temperature variation in the crystal lattice constants of ice (see Ref. 1). The thermal expansion coefficient appears to become negative around –200°C, but there is considerable scatter in the data.
Density of ice Ih and supercooled water in g cm–3
Phase transition properties:
t/°C 0 –10 –20 –30 –40 –50 –60 –80 –100 –120 –140 –160 –180 Ref.
ρ (supercooled water) 0.9998 0.9982 0.9935 0.9839
ρ (ice) 0.9167 0.9187 0.9203 0.9216 0.9228 0.9240 0.9252 0.9274 0.9292 0.9305 0.9314 0.9331 0.9340 1 t/°C 0 –10 –20 –30 –40 –50 –60 –80 –100 –120 –140 –160 –180 –200 –220 –240 –250 Ref.
∆fusH(0°C) = 333.6 J/g (Ref. 2) ∆subH(0°C) = 2838 J/g (Ref. 2) Other properties of ice Ih:
αV: cubic thermal expansion coefficient, αV = −(1/V)(∂V/∂t)p κ : adiabatic compressibility, κ = –(1/V)( ∂V/∂p)S ε : relative permittivity (dielectric constant) . k : thermal conductivity cp: specific heat capacity at constant pressure
8 αV/10−6 °C−1 159 155 149 143 137 130 122 105 85 77 60 45 30
1,2,3,5
κ/10−5 MPa−1 13.0 12.8 12.7 12.5 12.4 12.2 12.1 11.9 11.6 11.4 11.3 11.2 11.1 11.0 10.9 10.9 10.9 1,5
References 1. Eisenberg, D., and Kauzmann, W., The Structure and Properties of Water, Oxford University Press, Oxford, 1969. 2. Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, New Series, V/1b, Springer-Verlag, Heidelberg, 1982. 3. LaPlaca, S., and Post, B., Acta Cryst., 13, 503, 1960. [Thermal expansion of lattice] 4. Brill, R., and Tippe, A., Acta Cryst., 23, 343, 1967. [Thermal expansion of lattice]
ε 91.6 94.4 97.5 99.7 101.9 106.9 119.5
6
k/W cm−1 °C−1 0.0214 0.023 0.024 0.025 0.026 0.028 0.030 0.033 0.037 0.042 0.049 0.057 0.070 0.087 0.118 0.20 0.32 7
cp/J g−1 °C−1 2.11 2.03 1.96 1.88 1.80 1.72 1.65 1.50 1.36 1.23 1.10 0.97 0.83 0.67 0.50 0.29 0.17 1
5. Leadbetter, A. J., Proc. Roy. Soc. A 287, 403, 1965. [Compressibility and thermal expansion] 6. Auty, R. P., and Cole, R. H., J. Chem. Phys., 20, 1309, 1952. [Dielectric constant] 7. Slack, G. A., Phys. Rev. B, 22, 3065, 1980. [Thermal conductivity] 8. Hare, D. E., and Sorensen, C. M., J. Chem. Phys., 87, 4840, 1987. [Supercooled water] 9. Hobbs, P. V., Ice Physics, Clarendon Press, Oxford, 1974.
6-5
Section6.indb 5
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PROPERTIES OF LIQUID HELIUM The following data were obtained by a critical evaluation of all existing experimental measurements on liquid helium, using a fitting procedure described in the reference. All values refer to liquid helium at saturated vapor pressure; temperatures are on the ITS–90 scale. Several properties show a singularity at the lambda point (2.1768 K). p : vapor pressure ρ : density Cs : molar heat capacity ∆vapH : molar enthalpy of vaporization T/K 0.0 0.5 1.0 1.5 2.0 2.5 3.0 3.5 4.0 4.5 5.0
p/kPa
0.01558 0.4715 3.130 10.23 24.05 47.05 81.62 130.3 196.0
ρ/g cm–3 0.1451397 0.1451377 0.1451183 0.1451646 0.1456217 0.1448402 0.1412269 0.1360736 0.1289745 0.1188552
Cs /J mol–1K–1 0 0.010 0.415 4.468 21.28 9.083 9.944 12.37 15.96 21.8 44.7
ε : relative permittivity (dielectric constant) σ : surface tension α : coefficient of linear expansion η : viscosity λ : thermal conductivity
Reference Donnelly, R. J., and Barenghi, C. F., J. Phys. Chem. Reference Data, 27, 1217, 1998. ∆vapH/J mol–1 59.83 70.24 80.33 89.35 93.07 92.50 94.11 92.84 87.00 75.86 47.67
ε 1.057255 1.057254 1.057246 1.057265 1.057449 1.057135 1.055683 1.053615 1.050770 1.046725
σ /mΝ m−1 0.3530 0.3471 0.3322 0.3021 0.2623 0.2161 0.1626 0.1095 0.0609 0.0157
103α/K–1 0.000 0.107 0.309 –2.36 –12.2 39.4 61.5 88.7 129 211
η/µPa s
3.873 1.346 1.468 3.259 3.517 3.509 3.319
λ /W cm–1K–1
0.1497 0.1717 0.1868 0.1965
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SURFACE TENSION OF AQUEOUS MIXTURES The composition dependence of the surface tension of binary mixtures of several compounds with water is given in this table. The data are tabulated as a function of the mass percent of the non-aqueous component. Data for methanol, ethanol, 1-propanol, and 2-propanol are taken from Reference 1, which also gives values at other temperatures.
Compound Acetic acid Acetone Acetonitrile 1,2-Butanediol 1,3-Butanediol 1,4-Butanediol Butanoic acid 2-Butanone γ-Butyrolactone Chloroacetic acid Diethanolamine N,N-Dimethylacetamide N,N-Dimethylformamide 1,4-Dioxane Ethanol Ethylene glycol Formic acid Glycerol Methanol Morpholine Nitric acid Propanoic acid 1-Propanol 2-Propanol 1,2-Propylene glycol 1,3-Propylene glycol Pyridine Sulfolane Sulfuric acid Trichloroacetaldehyde Trichloroacetic acid
t/°C 30 25 20 25 30 30 30 20 30 25 25 25 25 25 25 20 20 25 25 20 20 30 25 25 30 30 25 20 50 25 25
References 1. Vazquez, G., Alvarez, E., and Navaza, J. M., J. Chem. Eng. Data, 40, 611, 1995. 2. Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, New Series, IV/16, Surface Tension, SpringerVerlag, Heidelberg, 1997.
Surface Tension in mN/m for the Specified Mass %
0% 71.2 72.0 72.8 72.0 71.2 71.2 71.2 72.8 71.2 72.0 72.0 72.0 72.0 72.0 72.01 72.8 72.8 72.0 72.01 72.8 72.8 71.2 72.01 72.01 71.2 71.2 72.0 72.8 67.9 72.0 72.0
10% 51.4 44.9 48.5 66.1 58.1 61.2 42.4 41.6 64 59.8 66.8 72.0 65.4
20% 43.3 40.5 40.2 60.4 51.6 56.9 37.5 32.2 58 53.6 63.2 72.0 59.2
30% 41.2 36.7 34.1 55.1 48.7 54.2 35.5
40% 38.2 33.0 31.6 50.1 45.8 52.0 34.8
50% 37.4 30.1 30.6 45.6 43.9 50.7 32.2
53 51.3 60.7 72.4 53.8
50 49.7 58.8 73.5 49.6
47.53 68.5 66 70.5 56.18 65.1 71.9 46.6 34.32 40.42 60.5 62.6 52.8
37.97 64.9 60 69.5 47.21 60.7 70.7 42.2 27.84 30.57 54.9 58.8 51.2
32.98 61.9 55.7 68.5 41.09 58.9 68.9 37.7 25.98 26.82 50.7 55.7 48.0
30.16 52.2 67.9 36.51 56.7 66.6 35.6 25.26 25.27 47.2 53.8 46.8
73.5 56.7 55.8
75.1 51.0 46.5
73.6 46.7 42.8
71.2 44.1 41.6
48 48.3 57.2 74.9 47.3 41.2 27.96 57.0 50.3 67.4 32.86 53.0 63.8 33.1 24.80 24.26 44.5 52.8 46.6 62.5 68.0 43.0 40.6
60% 36.1 29.4 30.0 43.3 42.4 49.5 30.8 25.2 46 47.5 55.7 75.4 46.9 39.6 26.23
70% 33.5 29.4 29.6 41.9 41.2 47.9 29.2
80% 31.5 27.6 29.1 40.8 40.0 46.6 27.4
90% 30.2 24.5 28.7 39.2 39.0 45.2 26.3
45 46.1 54.3 73.0 44.9 37.9 25.01
44
42.8
52.7 65.7 42.3 36.2 23.82
50.6 54.7 38.4 34.5 22.72
48.8 66.9 29.83 49.6 60.6 31.7 24.49 23.51 41.5 51.7 45.8 61.6 64.1 42.5 39.4
47.1 66.5 27.48 47.0 56.8 30.2 24.08 22.68 38.6 50.8 45.0 59.6 60.0 41.5 38.3
44.7 65.7 25.54 43.7 52.6 28.2 23.86 22.14 37.6 49.6 43.6 57.1 56.4 38.9 37.4
40.9 64.5 23.93 41.8 47.9 27.4 23.59 21.69 36.3 48.2 40.9 54.9 53.6 34.7 36.5
100% 26.3 23.1 28.4 35.8 37.0 43.8 25.5 24.6 42.7 47.2 36.4 35.2 33.7 21.82 48.2 38.0 62.5 22.51 38.7 42.6 25.8 23.28 21.22 35.5 47.0 37.0 50.9 51.7 29.4
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VISCOSITY OF CARBON DIOXIDE ALONG THE SATURATION LINE The table below gives the viscosity of gas and liquid CO2 along the liquid–vapor saturation line.
T/K 205 210 215 220 225 230 235 240 245 250 255 260 265 270 275 280 285 290 295 300 302
P/kPa 227 327 465 600 735 894 1075 1283 1519 1786 2085 2419 2790 3203 3658 4160 4712 5315 5984 6710 6997
References 1. Fenghour, A., Wakeham, W. A., and Vesovic, V., J. Phys. Chem. Ref. Data, 27, 31, 1998. 2. Angus, S., et al., International Tables for the Fluid State: Carbon Dioxide, Pergamon Press, Oxford, 1976. Gas η/µPa s 10.33 10.60 10.87 11.13 11.41 11.69 11.98 12.27 12.58 12.90 13.24 13.61 14.02 14.47 14.99 15.61 16.37 17.36 18.79 21.29 23.52
Liquid η/µPa s
241.68 221.72 203.75 187.48 172.67 159.13 146.69 135.20 124.30 114.63 105.21 96.44 87.89 79.64 71.47 63.01 53.33 48.30
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PERMITTIVITY (DIELECTRIC CONSTANT) OF WATER AS A FUNCTION OF TEMPERATURE AND PRESSURE The following table summarizes the relative permittivity (static dielectric constant) of liquid water and steam over a wide range of temperature and pressure. Values are given from slightly above the freezing point to 1000 K and at pressures from normal atmospheric to 1000 MPa (about 10000 atm). The values are generated from an equation that correlates the best experimental measurements from a large number of sources. The correlating equation and full details of the formulation may be found in Reference 1. T/K 275 280 285 290 295 300 305 310 315 320 340 360 380 400 420 440 460 480 500 550 600 650 700 750 800 850 900 950 1000 1050 1100 1150 1200
0.1 87.16 85.19 83.27 81.39 79.55 77.75 75.99 74.27 72.58 70.93 64.70 59.00 1.006 1.005 1.005 1.004 1.004 1.004 1.003 1.003 1.002 1.002 1.002 1.002 1.001 1.001 1.001 1.001 1.001 1.001 1.001 1.001 1.001
1 87.20 85.23 83.30 81.42 79.58 77.78 76.02 74.30 72.61 70.97 64.73 59.03 53.83 49.06 44.70 40.70 1.041 1.038 1.034 1.028 1.024 1.020 1.017 1.015 1.013 1.012 1.011 1.010 1.009 1.008 1.007 1.007 1.006
2 87.24 85.27 83.34 81.46 79.62 77.82 76.06 74.33 72.65 71.00 64.77 59 07 53.86 49.10 44.74 40.74 37.04 33.61 1.074 1.059 1.049 1.041 1.036 1.031 1.027 1.024 1.022 1.020 1.018 1.016 1.015 1.014 1.013
5 87.36 85.39 83.46 81.57 79 73 77.93 76.17 74.44 72.76 71.11 64.87 59.17 53.97 49.21 44.85 40 85 37.17 33.75 30.55 1.177 1.137 1.112 1.095 1.082 1.071 1.063 1.056 1.050 1.046 1.041 1.038 1.035 1.032
Temperatures are given on the ITS-90 scale. Liquidâ&#x20AC;&#x201C;vapor boundaries are indicated by horizontal lines.
Reference Fernandez, D. P., Goodwin, A. R. H., Lemmon, E. W., Levelt Sengers, J. M. H., and Williams, R. C., J. Phys. Chem. Ref. Data, 26, 1125, 1997.
Pressure in MPa
10 87.57 85.59 83.65 81.76 79.92 78.11 76.35 74.62 72.93 71.28 65.04 59.34 54.14 49.39 45.04 41.05 37.37 33.97 30.79 23.53 1.365 1.267 1.214 1.179 1.154 1.134 1.118 1.105 1.095 1.086 1.078 1.072 1.066
20 87.97 85.98 84.04 82.14 80.29 78.48 76.71 74.98 73.28 71.63 65.38 59.68 54.48 49.73 45.39 41.42 37.76 34.39 31.25 24.18 17.50 2.066 1.603 1.452 1.365 1.307 1.265 1.232 1.206 1.184 1.167 1.151 1.139
50 89.16 87.14 85.17 83.24 81.37 79.54 77.75 76.01 74.30 72.64 66.36 60.65 55.45 50.71 46.39 42.45 38.84 35.53 32.47 25.73 19.90 14.50 8.963 4.424 2.844 2.269 1.975 1.793 1.668 1.576 1.505 1.449 1.403
100 91 05 88.98 86.96 84.99 83.08 81.22 79.40 77.63 75.90 74.22 67.89 62.15 56.94 52.20 47.90 43.98 40.40 37.14 34.15 27.67 22.29 17.72 13.75 10.34 7.562 5.571 4.284 3.477 2.956 2.601 2.347 2.158 2.011
200 94.55 92.38 90.27 88.22 86.24 84.31 82.43 80.61 78.84 77.11 70.65 64.83 59.57 54.80 50.48 46.55 42.99 39.75 36.79 30.46 25.34 21.12 17.60 14.65 12.17 10.10 8.416 7.066 6.003 5.172 4.523 4.012 3.606
500 103.7 101.3 98.91 96.64 94.44 92.31 90.25 88.26 86.34 84.48 77.58 71.45 65.95 61.00 56.53 52.48 48.81 45.47 42.44 35.99 30.82 26.62 23.17 20.30 17.88 15.83 14.08 12.57 11.27 10.14 9.160 8.309 7.569
1000
101.3 99.06 96.87 94.76 87.07 80.36 74.43 69.12 64.35 60.03 56.11 52.55 49.30 42.38 36.82 32.31 28.60 25.51 22.91 20.70 18.80 17.15 15.72 14.45 13.34 12.35 11.47
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VISCOSITY AND DENSITY OF AQUEOUS HYDROXIDE SOLUTIONS The viscosity and density of aqueous hydroxide solutions at 25°C is tabulated here as a function of concentration. Viscosity is given in millipascal second, which is equal to the c.g.s. unit centipoise (cP). The last entry in each column refers to the saturated solution.
Reference Sipos, P. M., Hefter, G., and May, P. M., J. Chem. Eng. Data, 45, 613, 2000.
Viscosity in mPa s c/mol L–1 0.5 1.0 1.5 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 11.0 12.0 13.0 14.0 15.0 16.0 17.0 18.0 19.0 Sat.
LiOH 1.017 1.169 1.340 1.537 2.050 2.734
3.311
NaOH 0.997 1.116 1.248 1.396 1.754 2.228 2.867 3.727 4.869 6.351 8.230 10.554 13.362 16.677 20.503 24.826 29.604 34.767 40.212 45.800 51.354 51.911
KOH 0.937 0.990 1.050 1.116 1.269 1.448 1.657 1.902 2.196 2.554 3.005 3.581 4.328 5.303 6.577 8.235
CsOH 0.91 0.94 0.97 1.03 1.19 1.41 1.67 1.98 2.40 3.09 4.31 6.46
8.526
(CH3)4NOH 1.017 1.186 1.430 1.762 3.031 7.238
8.850
Density in g/cm3 c/mol L–1 0.5 1.0 1.5 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 11.0 12.0 13.0 14.0 15.0 16.0 17.0 18.0 19.0 Sat.
LiOH 1.012 1.025 1.038 1.050 1.072 1.093
1.109
NaOH 1.019 1.040 1.059 1.078 1.115 1.149 1.182 1.213 1.243 1.271 1.299 1.325 1.350 1.374 1.397 1.419 1.441 1.461 1.481 1.499 1.517 1.519
KOH 1.022 1.045 1.068 1.090 1.133 1.174 1.214 1.253 1.290 1.326 1.362 1.396 1.429 1.462 1.494 1.524
CsOH 1.063 1.128 1.193 1.257 1.383 1.508 1.632 1.755 1.876 1.997 2.117 2.236 2.354 2.471 2.587 2.703
1.529
2.800
(CH3)4NOH 0.999 1.002 1.005 1.009 1.019 1.030
1.032
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VAPOR PRESSURE OF MERCURY The following table gives the vapor pressure of mercury in kilopascals (100 kPa = 1 bar) from the triple point (234.3156 K) to the critical point (1764 K). The data are generated from the formulation of Huber, Laesecke, and Friend in Reference 1, which is based on a critical evaluation of all the published data on mercury vapor pressure and related thermodynamic properties. The estimated uncertainty in the vapor pressure is: –38 to –10°C 0 to 130°C 140 to 350°C 360 to 620°C 630 to 1491°C t/°C –38.83 –30 –20 –10 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37
6-142
p/kPa 2.985 × 10–7 9.451 × 10–7 3.160 × 10–6 9.625 × 10–6 2.699 × 10–5 2.979 × 10–5 3.287 × 10–5 3.623 × 10–5 3.991 × 10–5 4.393 × 10–5 4.833 × 10–5 5.312 × 10–5 5.836 × 10–5 6.406 × 10–5 7.028 × 10–5 7.705 × 10–5 8.441 × 10–5 9.242 × 10–5 0.0001011 0.0001106 0.0001208 0.0001320 0.0001440 0.0001571 0.0001713 0.0001866 0.0002032 0.0002211 0.0002404 0.0002613 0.0002839 0.0003082 0.0003344 0.0003627 0.0003931 0.0004259 0.0004611 0.0004990 0.0005398 0.0005835 0.0006305 0.0006809
3% 1% 0.15% 0.5% 5% t/°C 38 39 40 41 42 43 44 45 46 47 48 49 50 55 60 65 70 75 80 85 90 95 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290
p/kPa 0.0007350 0.0007929 0.0008551 0.0009216 0.0009928 0.001069 0.001151 0.001238 0.001331 0.001430 0.001537 0.001650 0.001771 0.002506 0.003508 0.004862 0.006673 0.009075 0.01223 0.01635 0.02167 0.02850 0.03721 0.06209 0.1009 0.1599 0.2478 0.3759 0.5592 0.8168 1.1728 1.6573 2.3071 3.1670 4.2906 5.7414 7.5939 9.9347 12.863 16.494 20.955 26.392
Most of the entries in this table carry one significant figure beyond the estimated accuracy.
References 1. Huber, M. L., Laesecke, A., and Friend, D. G., The Vapor Pressure of Mercury, NISTIR 6643, National Institute of Standards and Technology, Boulder, CO, March 2006. 2. Huber, M. L., Laesecke, A., and Friend, D. G., Ind. Eng. Chem. Res. 45, 7351, 2006. 3. Vargaftik, N. B., Vinogradov, Y. K., and Yargin, V. S., Handbook of Physical Properties of Liquids and Gases, Third Edition, Begell House, New York, 1996. t/°C 300 310 320 330 340 350 360 370 380 390 400 410 420 430 440 450 460 470 480 490 500 510 520 530 540 550 560 570 580 590 600 610 620 630 640 650 660 670 680 690 700 710
p/kPa 32.965 40.856 50.260 61.396 74.498 89.823 107.65 128.26 151.99 179.17 210.15 245.32 285.07 329.82 380.00 436.07 498.51 567.81 644.46 729.01 821.99 923.96 1035.5 1157.2 1289.6 1433.3 1589.1 1757.4 1939 2135 2345 2570 2811 3069 3344 3637 3949 4281 4632 5005 5399 5815
t/°C 720 730 740 750 760 770 780 790 800 810 820 830 840 850 860 870 880 890 900 910 920 930 940 950 960 970 980 990 1000 1050 1100 1150 1200 1250 1300 1350 1400 1450 1491
p/kPa 6254 6718 7205 7718 8258 8824 9417 10040 10690 11370 12080 12820 13600 14410 15250 16120 17030 17980 18960 19980 21040 22140 23270 24450 25670 26930 28230 29580 30970 38600 47450 57590 69100 82100 96600 112700 130000 150000 167000
VISCOSITY OF LIQUID METALS This table gives the viscosity of several liquid metals as a function of temperature. Experimental data from some of the references were smoothed to produce the table. Viscosity is given in millipascal second (mPa s), which equals the c.g.s. unit centipoise (cP).
2. 3. 4.
References 1. Shpil’rain, E. E., Yakimovich, K. A., Fomin, V. A., Skovorodjko, S. N., and Mozgovoi, A. G., in Handbook of Thermodynamic and Transport
t/°C 50 100 150 200 250 300 350 400 450 500 550 600 650 700 750 800 850 900 950 1000 1050 1100 1150 1200 1250 1300 1350 1400 1450 1500 1550 1600 1650 1700 1750 1800 1850 1900 1950 2000
Lithium
Sodium
0.566 0.503 0.453 0.412 0.379 0.352 0.328 0.308 0.290 0.275 0.261 0.249 0.238 0.228 0.219 0.211 0.204 0.197 0.191 0.185 0.180 0.175 0.170 0.166 0.162 0.158 0.155 0.151 0.148 0.145 0.142 0.139 0.137 0.135 0.132 0.130 0.128
0.687 0.542 0.451 0.387 0.341 0.306 0.278 0.255 0.237 0.221 0.208 0.196 0.186 0.177 0.170 0.163 0.156 0.151 0.146 0.141 0.137 0.133 0.129 0.126 0.123 0.120 0.117 0.115 0.113 0.110 0.108 0.106 0.105 0.103 0.101 0.100 0.098 0.097 0.096
5. 6.
Properties of the Alkali Metals, Ohse, R. H., Ed., Blackwell Scientific Publishers, Oxford, 1985. [Li, Na, K, Rb, Cs] Rothwell, E., J. Inst. Metals, 90, 389, 1961. [Al] Culpin, M. F., Proc. Phys. Soc., 70, 1079, 1957. [Ca] Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, Sixth Edition, II/5a, Transport Phenomena I (Viscosity and Diffusion), Springer–Verlag, Heidelberg, 1961 [Co, Au, Mg, Ni, Ag] Spells, K. E., Proc. Phys. Soc., 48, 299, 1936. [Ga] Walsdorfer, H., Arpshofen, I., and Predel, B., Z. Met., 79, 503, 1988. [In]
Viscosity in mPa s Potassium Rubidium 0.542 0.441 0.435 0.358 0.365 0.303 0.316 0.263 0.280 0.234 0.252 0.211 0.230 0.193 0.212 0.178 0.197 0.166 0.185 0.155 0.174 0.146 0.165 0.138 0.157 0.132 0.150 0.126 0.143 0.120 0.138 0.115 0.133 0.111 0.128 0.107 0.124 0.104 0.120 0.101 0.117 0.098 0.114 0.095 0.111 0.092 0.108 0.090 0.105 0.088 0.103 0.086 0.101 0.084 0.099 0.082 0.097 0.081 0.095 0.079 0.093 0.078 0.092 0.076 0.090 0.075 0.074
Cesium 0.598 0.469 0.389 0.334 0.294 0.264 0.240 0.221 0.206 0.192 0.181 0.171 0.163 0.156 0.149 0.143 0.138 0.134 0.129 0.125 0.122 0.119 0.116 0.113 0.110 0.108 0.106 0.104 0.102 0.100 0.098 0.097 0.095 0.094 0.092 0.091 0.090 0.089 0.088 0.086
Gallium 1.921 1.608 1.397 1.245 1.130 1.040 0.968 0.909 0.859 0.817 0.781 0.750 0.722 0.698 0.677 0.657 0.640 0.624 0.610 0.597 0.585 0.574
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Viscosity of Liquid Metals t/°C 250 300 350 400 450 700 750 800 850 900 1000 1050 1100 1150 1200 1250 1300 1350 1400 1450 1500 1550 1600 1650 1700 1750
Section6.indb 183
Aluminum
1.289 1.200 1.115 1.028
6-183 Calcium
Cobalt
Viscosity in mPa s Gold Indium 1.35 1.22 1.12 1.04 0.98
1.107 0.959
Magnesium
Nickel
1.10 0.96 0.84 0.74 0.67
5.130 4.874 4.640 4.429 4.240
4.15 3.89 3.64 3.41 3.20 2.99
4.35 4.09 3.87 3.67 3.49 3.32
Silver
3.80 3.56 3.31 3.06 2.82 2.61 2.42 2.28 2.20 2.19
4/29/05 4:20:26 PM
IONIC LIQUIDS Ionic liquids are a class of organic salts with relatively low melting points. The term usually implies a melting point of 100°C or lower, and many are liquid at room temperature. They offer several advantages as solvents, such as very low vapor pressure, good thermal stability, and nonflammable behavior. For these reasons they are attractive as constituents of environmentally friendly chemical processes. This table lists some of the ionic liquids that have been studied. The following properties are given: Mol. Form. — molecular formula in the Hill convention CASRN — Chemical Abstracts Service Registry Number Mol. Wt. — molecular weight (relative molar mass) tm — normal melting point in °C; the notation “gl” indicates a glass–liquid transition, rather than a crystal–liquid transition ρ — density in g/cm3. The subscript indicates the temperature in °C; if there is no superscript, room temperature can be assumed. η — viscosity in mPa s. The subscript indicates the temperature in °C; if there is no superscript, room temperature can be assumed. Name 1-Benzyl-3-methylimidazolium tetrafluoroborate 1-Butyl-4-(dimethylamino)pyridinium bromide 1-Butyl-2,3-dimethylimidazolium chloride 1-Butyl-2,3-dimethylimidazolium hexafluorophosphate 1-Butyl-2,3-dimethylimidazolium iodide 1-Butyl-2,3-dimethylimidazolium octylsulfate 1-Butyl-2,3-dimethylimidazolium tetrafluoroborate 1-Butyl-2,3-dimethylimidazolium trifluoromethanesulfonate 1-Butyl-3,5-dimethylpyridinium bromide 1-Butyl-3,4-dimethylpyridinium chloride 1-Butyl-3,5-dimethylpyridinium chloride 1-Butyl-3-methylimidazolium acetate 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide 1-Butyl-3-methylimidazolium bromide 1-Butyl-3-methylimidazolium chloride 1-Butyl-3-methylimidazolium dicyanamide 1-Butyl-3-methylimidazolium (diethylene glycol monomethyl ether)sulfate 1-Butyl-3-methylimidazolium hexafluorophosphate 1-Butyl-3-methylimidazolium iodide 1-Butyl-3-methylimidazolium methide 1-Butyl-3-methylimidazolium methylsulfate 1-Butyl-3-methylimidazolium nitrate 1-Butyl-3-methylimidazolium octylsulfate 1-Butyl-3-methylimidazolium tetrafluoroborate 1-Butyl-3-methylimidazolium tosylate 1-Butyl-3-methylimidazolium trifluoroacetate 1-Butyl-3-methylimidazolium trifluoromethanesulfonate 1-Butyl-3-methylpyridinium bis(trifluoromethylsulfonyl)imide 1-Butyl-3-methylpyridinium bromide 1-Butyl-3-methylpyridinium chloride 1-Butyl-3-methylpyridinium hexafluorophosphate
6-136
The phase behavior of ionic liquids can be complicated. Some are crystalline at low temperatures and show a sharp transition from crystal to liquid state (a true melting point) as the temperature is raised, but others exist as a glass at low temperatures and convert to a liquid at the glass–liquid transition temperature, denoted by a small change in heat capacity. Still others are glasses at very low temperatures, transform to crystals as the temperature is raised, and finally become liquid at a still higher temperature. See Reference 3 for a discussion of the types of phase behavior.
References 1. Ionic Liquids Database-(ILThermo), NIST Standard Reference Database #147, 2006, National Institute of Standards and Technology, Gaithersburg, MD 20899, <ilthermo.boulder.nist.gov>. 2. Ionic Liquids — New Materials for New Applications, 2006, < ildb. merck.de/ionicliquids/en/startpage.htm >. 3. Crosthwaite, J. M., Muldoon, M. J., Dixon, J. K., Anderson, J. L., and Brennecke, J. F., J. Chem. Thermodynamics 37, 559, 2005. 4. Sun, J., Forsyth, M., and MacFarlane, D. R., J. Phys. Chem. B 102, 8858, 1998. 5. Fredlake, C. P., Crosthwaite, J. M., Hert, D. G., Aki, S. N. V. K., and Brennecke, J. F., J. Chem. Eng. Data 49, 954, 2004. Mol. Form. C11H13BF4N2 C11H19BrN2 C9H17ClN2 C9H17F6N2P C9H17IN2 C17H34N2O4S C9H17N2BF4 C10H18F3N2O3S C11H18BrN C11H18ClN C11H18ClN C10H18N2O2 C10H15F6N3O4S2 C8H15BrN2 C8H15ClN2 C10H15N5 C13H27N2O6S C8H15F6N2P C8H15IN2 C12H15F9N2O6S2 C9H18N2O4S C8H15N3O3 C16H32N2O4S C8H15BF4N2 C15H22N2O3S C10H15F3N2O2 C9H15F3N2O3S C12H16F6N2O4S2 C10H16BrN C10H16ClN C10H16F6NP
CASRN 500996-04-3 98892-75-2 227617-70-1 108203-70-9 402846-78-0
174899-83-3 85100-77-2 79917-90-1 448245-52-1 174501-64-5 65039-05-6 731774-32-6 401788-98-5 179075-88-8 445473-58-5 174501-65-6 410522-18-8 174899-94-6 174899-66-2
125652-55-3
Mol. Wt 260.039 259.186 188.697 298.208 280.148 362.528 240.049 303.321 244.172 199.721 199.721 198.262 419.364 219.122 174.671 205.260 339.427 284.182 266.122 550.437 250.315 201.223 348.501 226.023 310.412 252.233 288.286 430.386 230.145 185.694 295.205
tm/°C 63 222 99 –58 gl 97 90 37 41 95 72 100 –2 78 67 –6 –62 gl 11 –72 13 31 –85 gl 72
ρ/g cm–3
η/mPa s
1.241623
1.076240
1.437025
44025 7025
1.0825 1.058024 1.36720 1.4425 1.5725 1.21225 1.1540 1.07 1.204822
103325 38220 110025
6735 12025 7025
13 –84 gl –36 gl 117 46
1.301323 6325
Ionic Liquids Name 1-Butyl-4-methylpyridinium hexafluorophosphate 1-Butyl-3-methylpyridinium methylsulfate 1-Butyl-4-methylpyridinium tetrafluorborate 1-Butyl-3-methylpyridinium tetrafluoroborate 1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide 1-Butyl-1-methylpyrrolidinium dicyanamide 1-Butyl-1-methylpyrrolidinium hexafluorophosphate 1-Butyl-1-methylpyrrolidinium methylsulfate 1-Butyl-1-methylpyrrolidinium trifluoroacetate 1-Butyl-1-methylpyrrolidinium trifluoromethanesulfonate 1-Butyl-1-methylpyrrolidinium tris(pentafluoroethyl)trifluorophosphate 1-Butylnicotinic acid 1-Butylpyridinium bromide 1-Butylpyridinium chloride 1-Butylpyridinium hexafluorophosphate 1-Butylpyridinium methylsulfate 1-Butylpyridinium tetrafluoroborate 1-Butylpyridinium trifluoromethanesulfonate Cocosalky pentaethoxi methylammonium methylsulfate 1-Decyl-3-methylimidazolium bromide 1-Decyl-3-methylimidazolium chloride 1,1-Dibutylpyrrolidinium bis(trifluoromethylsulfonyl)imide N,N-Diethyl-N-(1-methylethyl)-2-propanaminium bis(trifluoromethylsulfonyl)imide 1,3-Dimethylimidazolium bis(trifluoromethylsulfonyl)imide 1,3-Dimethylimidazolium chloride 1,3-Dimethylimidazolium dimethylphosphate 1,3-Dimethylimidazolium methoxyethylsulfate 1,3-Dimethylimidazolium methylsulfate 1,3-Dimethylimidazolium trifluoromethylsulfonate 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide 1,1-Dimethylpyrrolidinium tris(pentafluoroethyl)trifluorophosphate 1-Dodecyl-3-methylimidazolium chloride 1-Dodecyl-3-methylimidazolium hexafluorophosphate 1-Dodecyl-3-methylimidazolium tetrafluoroborate N-Ethyl-N,N-bis(1-methylethyl)-1-heptanaminium bis(trifluoromethylsulfonyl)imide 1-Ethyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide 1-Ethyl-2,3-dimethylimidazolium bromide 1-Ethyl-2,3-dimethylimidazolium methylsulfate 1-Ethyl-2,3-dimethylimidazolium tetrafluoroborate 1-Ethyl-2,3-dimethylimidazolium trifluoromethanesulfonate 1-Ethyl-3-methylimidazolium bis(pentafluroethyl)phosphinate 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide 1-Ethyl-3-methylimidazolium bromide 1-Ethyl-3-methylimidazolium chloride 1-Ethyl-3-methylimidazolium ethylsulfate 1-Ethyl-3-methylimidazolium hexafluorophosphate 1-Ethyl-3-methylimidazolium methanesulfonate 1-Ethyl-3-methylimidazolium octyl sulfate 1-Ethyl-3-methylimidazolium tetrafluoroborate 1-Ethyl-3-methylimidazolium thiocyanate 1-Ethyl-3-methylimidazolium tosylate 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate N-Ethyl-N-methyl-N-(1-methylethyl)-2-propanaminium bis(trifluoromethylsulfonyl)imide
6-137 Mol. Form. C10H16F6NP C11H19NO4S C10H16BF4N C10H16BF4N C11H20F6N2O4S2 C11H20N4 C9H20F6NP C10H23NO4S C11H20F3NO2 C10H20F3NO3S C15H20F18NP C16H22F6N2O6S2 C9H14BrN C9H14ClN C9H14F6NP C10H17NO4S C9H14BF4N C10H14F3NO3S C23H51NO9S C14H27BrN2 C14H27ClN2 C14H26F6N2O4S2 C12H24F6N2O4S2
CASRN 401788-99-6 343952-33-0 223437-11-4 370865-80-8 330671-29-9
367522-96-1 851856-47-8 874-80-6 1124-64-7 186088-50-6 203389-28-0 390423-43-5 188589-32-4 171058-18-7 210230-41-4
C7H9F6N3O4S2 C5H9ClN2 C7H15N2O4P C8H16N2O5S C6H12N2O4S C6H9F3N2O3S C10H15F6N3O4S2 C12H14F18NP C16H31ClN2 C16H31F6N2P C16H31BF4N2 C17H34F6N2O4S2
174899-81-1 79917-88-7 654058-04-5 790663-78-4 97345-90-9 121091-30-3 169051-76-7
C9H13F6N3O4S2 C7H13BrN2 C8H16N2O4S C7H13BF4N2 C8H13F3N2O3S C10H11F10N2O2P C8H11F6N3O4S2 C6H11BrN2 C6H11ClN2 C8H16N2O4S C6H11F6N2P C7H14N2O3S C14H28N2O4S C6H11BF4N2 C7H11N3S C13H18N2O3S C7H11F3N2O3S C11H22F6N2O4S2
174899-90-2 98892-76-3
114569-84-5 219947-93-0 244193-59-7 210230-53-8
307492-75-7 174899-72-0 174899-82-2 65039-08-9 65039-09-0 342573-75-5 155371-19-0 145022-45-3 790663-79-5 143314-16-3 331717-63-6 328090-25-1 145022-44-2 210230-42-5
Mol. Wt 295.205 261.339 237.046 237.046 422.408 208.304 287.226 253.360 255.278 291.331 587.272 516.475 216.118 171.667 281.178 247.312 223.019 285.283 517.718 303.281 258.830 464.487 438.450 377.284 132.591 222.178 252.288 208.235 246.206 419.364 545.191 286.883 396.394 338.235 508.583 405.337 205.095 236.289 211.996 274.260 412.164 391.311 191.068 146.617 236.289 256.128 206.262 320.448 197.969 169.247 282.358 260.233 424.424
tm/°C 44 <–50
ρ/g cm–3 1.19 1.184225
–76 gl <–50 85 10 31 3 4 15 105 127 75 <–50
η/mPa s
17725 1.394 1.02
25
1.17 1.25 1.59 53125
1.22 1.21425
35 280025 16 38 41 148
112
20
1.57025 126 1.25330 1.31425 43 11 107 97
1.45722 1.81
90.025
–82 gl
1.2720
36225
25 138 46 94 110 20 –17 77 85
1.491323
1.53 1.521323
3225
1.238825
10025
59.6 1.243725 14 <–50 56
1.252660 1.11 1.38525
140
36.125
Ionic Liquids
6-138 Name 1-Ethyl-3-methylpyridinium ethylsulfate 1-Ethyl-1-methylpyrrolidinium methylsulfate 1-Ethyl-1-methylpyrrolidinium tetrafluoroborate 1-Ethylnicotinic acid ethyl ester ethylsulfate 1-Ethylpyridinium bromide 1-Ethylpyridinium chloride 1-Ethylpyridinium ethylsulfate 1-Ethylpyridinium tetrafluoroborate 1-Ethylpyridinium trifluoroacetate 1-Ethylpyridinium bis(trifluoromethylsulfonyl)imide 1-Heptyl-3-methylimidazolium hexafluorophosphate 1-Hexadecyl-2,3-dimethylimidazolium chloride 1-Hexadecyl-3-methylimidazolium chloride 1-Hexyl-4-(dimethylamino)pyridinium bis(trifluoromethylsulfonyl)imide 1-Hexyl-4-(dimethylamino)pyridinium bromide 1-Hexyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide 1-Hexyl-2,3-dimethylimidazolium chloride 1-Hexyl-2,3-dimethylimidazolium tetrafluoroborate 1-Hexyl-3,5-dimethylpyridinium bis(trifluoromethylsulfonyl)imide 1-Hexyl-2-ethyl-3,5-dimethylpyridinium bis(trifluoromethylsulfonyl)imide 1-Hexyl-3-methyl-4-(dimethylamino)pyridinium bis(trifluoromethylsulfonyl)imide 1-Hexyl-3-methyl-4-(dimethylamino)pyridinium bromide 1-Hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide 1-Hexyl-3-methylimidazolium bromide 1-Hexyl-3-methylimidazolium chloride 1-Hexyl-3-methylimidazolium hexafluorophosphate 1-Hexyl-3-methylimidazolium tetrafluoroborate 1-Hexyl-3-methylimidazolium trifluoromethanesulfonate 1-Hexyl-4-(4-methylpiperidino)pyridinium bis(trifluoromethylsulfonyl)imide 1-Hexyl-4-(4-methylpiperidino)pyridinium bromide 1-Hexyl-3-methylpyridinium bis(trifluoromethylsulfonyl)imide 1-Hexyl-3-methylpyridinium bromide 1-Hexyl-2-propyl-3,5-diethylpyridinium bis(trifluoromethylsulfonyl)imide 1-Hexylpyridinium bis(trifluoromethylsulfonyl)imide 1-Hexylpyridinium bromide 1-Hexylpyridinium hexafluorophosphate 1-Hexylpyridinium trifluoromethanesulfonate 1-Methylimidazolium tetrafluoroborate 1-Methylimidazolium tosylate 1-Methyl-3-octadecylimidazolium bis(trifluoromethylsulfonyl)imide 1-Methyl-3-octadecylimidazolium tris(pentafluoroethyl)trifluorophosphate 1-Methyl-3-octylimidazolium bromide 1-Methyl-3-octylimidazolium chloride 1-Methyl-3-octylimidazolium 2-(2-methoxyethoxy)ethyl sulfate 1-Methyl-3-octylimidazolium nitrate 1-Methyl-3-octylimidazolium octylsulfate 1-Methyl-3-octylimidazolium tetrafluoroborate 1-Methyl-3-octylimidazolium trifluoromethanesulfonate 1-Methyl-3-octylpyridinium bis(trifluoromethylsulfonyl)imide 1-Methyl-3-octylpyrrolidinium bis(trifluoromethylsulfonyl)imide 1-Methyl-3-pentylimidazolium hexafluorophosphate 1-Methyl-3-propylimidazolium chloride
Mol. Form. C10H17NO4S C8H19NO4S C7H16BF4N C12H19NO6S C7H10BrN C7H10ClN C9H15NO4S C7H10BF4N C9H10F3NO2 C9H10F6N2O4S2 C11H21F6N2P C21H41ClN2 C20H39ClN2 C15H23F6N3O4S2 C13H23BrN2 C13H21F6N3O4S2 C11H21ClN2 C11H21BF4N2 C15H22F6N2O4S2 C17H26F6N2O4S2
CASRN
15302-90-6 1906-79-2 2294-38-4 350-48-1 474461-33-1 712354-97-7 357915-04-9 61546-01-8
384347-22-2 455270-59-4 384347-21-1
C16H25F6N3O4S2 C14H25BrN2 C12H19F6N3O4S2 C10H19BrN2 C10H19ClN2 C10H19F6N2P C10H19BF4N2 C11H19F3N2O3S C19H29F6N3O4S2
501.508
382150-50-7 171058-17-6 304680-35-1 244193-50-8 460345-16-8
C17H29BrN2 C14H20F6N2O4S2 C12H20BrN C20H32F6N2O4S2 C13H18F6N2O4S2 C11H18BrN C11H18F6NP C12H18F3NO3S C4H7BF4N2 C11H14N2O3S C24H43F6N3O4S2 C28H43F18N2P C12H23BrN2 C12H23ClN2 C17H34N2O6S C12H23N3O3 C20H40N2O4S C12H23BF4N2 C13H23F3N2O3S C16H24F6N2O4S2 C15H28F6N2O4S2 C9H17F6N2P C7H13ClN2
Mol. Wt 247.312 225.307 201.014 305.347 188.065 143.614 233.285 194.966 221.176 388.306 326.262 357.017 342.990 487.482 287.239 461.444 216.751 268.103 472.467 500.519
74440-81-6
151200-14-5 63458-90-2 404001-51-0
61545-99-1 64697-40-1 595565-55-2 203389-27-9 244193-52-0 403842-84-2
280779-52-4 79917-89-8
tm/°C –71 gl 23 69 –44 gl 122 119
η/mPa s 15025
1.23 320025
13725 1.302 1.27320 1.53625 1.27421 20
–84 gl 210 222 –69 196 –5 46 14 10 –66 gl
11125 1.36125
119 –7 –49 gl –75 gl –79 gl –79 gl 28 37
341.329 458.440 258.198 542.599
33 gl –82 gl –37 gl –67 gl
444.413 244.172 309.232 313.336 169.917 254.305 615.736 780.599
0 46 48 62 63 89 52 43
–87 gl
13125
1.15 10425 24525
–2
301.266 447.417 247.175 202.724 312.235 254.076 316.340 541.571
275.228 230.777 394.526 257.329 404.608 282.129 344.393 486.493 478.514 298.208 160.644
ρ/g cm–3
11225
1.370825
6825
1.040025 1.29425 1.13637 1.24
340000040 58525
8525 20625 8025
1.008825
410000040 124020
76 –81 gl 14 –80 –12 –80 gl 62
1.10425 1.19
34125 11225
1.29 1.33321
Ionic Liquids Name 1-Methyl-1-propylpyrrolidinium bis(trifluoromethylsulfonyl)imide 3-Methyl-1-tetradecylimidazolium chloride 1-Methyl-3-tetradecylimidazolium tetrafluoroborate Methyltrioctylammonium trifluoroacetate Methyltrioctylammonium trifluoromethanesulfonate 1-Nonyl-3-methylimidazolium hexafluorophosphate 1-Octyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide 1-Octyl-3-methylimidazolium hexafluorophosphate 1-Octylpyridinium chloride 1-Pentyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide 1-(3,4,5,6-Perfluorohexyl)-3-methylimidazolium bis(trifluoromethylsulfonyl)imide 1-Propyl-3-methylimidazolium bromide 1-Propyl-3-methylimidazolium tetrafluoroborate Pyridinium ethoxyethylsulfate Tetrabutylammonium bis(trifluoromethylsulfonyl)imide Tetrabutylammonium docusate Tetrabutylammonium tris(pentafluoroethyl)trifluorophosphate Tetrabutylammonium tris(trifluoromethylsulfonyl)methide Tetramethylammonium tris(pentafluoroethyl)trifluorophosphate N,N,N-Tributyl-1-heptanaminium bis(trifluoromethylsulfonyl)imide N,N,N-Tributyl-1-heptanaminium trifluoromethanesulfonate N,N,N-Tributyl-1-hexanaminium bis(trifluoromethylsulfonyl)imide Tributylmethylammonium bis(trifluoromethylsulfonyl)imide N,N,N-Tributyl-1-octanaminium bis(trifluoromethylsulfonyl)imide N,N,N-Tributyl-1-octanaminium trifluoromethanesulfonate N,N,N-Triethylethanaminium bis(trifluoromethylsulfonyl)imide N,N,N-Triethyl-1-heptanaminium bis(trifluoromethylsulfonyl)imide N,N,N-Triethyl-1-hexanaminium bis(trifluoromethylsulfonyl)imide N,N,N-Triethyl-1-octanaminium bis(trifluoromethylsulfonyl)imide Trihexyl(tetradecyl)phosphonium acetate Trihexyl(tetradecyl)phosphonium bis(trifluoromethylsulfonyl)imide Trihexyl(tetradecyl)phosphonium chloride Trihexyltetradecylphosphonium hexafluorophosphate Trihexyltetradecylphosphonium tetrafluoroborate Trihexyl(tetradecyl)phosphonium tris(pentafluoroethyl)trifluorophosphate Triisobutylmethylphosphonium p-toluenesulfonate N,N,N-Trimethyl-1-heptanaminium bis(trifluoromethylsulfonyl)imide N,N,N-Trimethyl-1-hexanaminium bis(trifluoromethylsulfonyl)imide N,N,N-Trimethylmethanaminium bis(trifluoromethylsulfonyl)imide N,N,N-Trimethyl-1-octanaminium bis(trifluoromethylsulfonyl)imide N,N,N-Tripropyl-1-propanaminium bis(trifluoromethylsulfonyl)imide
6-139 Mol. Form. C10H18F6N2O4S2 C18H35ClN2 C18H35BF4N2 C27H54F3NO2 C26H54F3NO3S C13H25F6N2P C14H23F6N3O4S2 C12H23F6N2P C13H22ClN C10H15F6N3O4S2 C12H10F15N3O<s C7H13BrN2 C7H13BF4N2 C9H15NO5S C18H35F6N2O4S2 C36H73NO7S C22H36F18NP C20H36F9NO6S3
C14H20F18NP C21H42F6N2O4S2 C20H42F3NO3S C20H40F6N2O4S2 C15H30F6N2O4S2 C22H44F6N2O4S2 C21H44F3NO3S C10H20F6N2O4S2 C15H30F6N2O4S2 C14H28F6N2O4S2 C16H32F6N2O4S2 C34H71O2P C34H68F6NO4PS2 C32H68ClP C32H68F6P2 C32H68BF4P C38H68F18P2 C20H37O3PS C12H24F6N2O4S2 C11H22F6N2O4S2 C6H12F6N2O4S2 C13H26F6N2O4S2 C14H28F6N2O4S2
CASRN 223437-05-6 171058-21-2 244193-61-1 121107-16-2 121107-18-4 343952-29-4 178631-04-4 304680-36-2 4086-73-1 280779-53-5
Mol. Wt 408.381 314.937 366.289 481.719 517.772 354.315 475.471 340.288 227.774 419.364 609.331
tm/°C 195 116 <–50 56 14 –84 gl –82 gl 46
η/mPa s
0.97 1.2021 1.32525 1.23725
73425
–56
205.095 211.996 249.284 522.610 664.033 687.473
37 –17
196958-57-3 394692-80-9 210230-50-5 210230-54-9 210230-49-2 405514-94-5 210230-51-6 210230-58-3 161401-26-9 210230-47-0 210230-46-9 210230-48-1 460092-04-0 460092-03-9 258864-54-9 374683-44-0 374683-55-3
653.684 575.261 564.689 433.612 550.663 480.530 578.715 447.639 410.397 480.530 466.503 494.556 542.901 764.002 519.309 628.820 570.661 928.866
96 97 –67 gl –55 gl 26
344774-05-6 210230-44-7 210230-43-6 161401-25-8 210230-45-8 210230-39-0
388.545 438.450 424.424 354.290 452.476 466.503
630393-27-0 210230-40-3
ρ/g cm–3
1.24025 1.28125
92 –62 gl 58
–63 gl –57 gl –79 gl 20 –74 gl
39 25 <–50
–73 gl –74 gl 133 –73 gl 105
10325
1200025
1.1720
60625
1.1520 1.26624 1.1220 1.0220
59525
1.2620 1.2720 1.2520 0.89025 1.06725 0.8925
7625 16725 20225
57425 200025
0.94 1.18 1.06925 1.2820 1.3320
15325 15325
1.2720
18125
Properties of Amino Acids This table gives selected properties of some important amino acids and closely related compounds. The first part of the table lists the 20 “standard” amino acids that are the basic constituents of proteins. The second part includes other amino acids and related compounds of biochemical importance. Within each part of the table the compounds are listed by name in alphabetical order. Structures are given in the following table. Symbol : Three-letter symbol for the standard amino acids Molecular weight Mr : tm: Melting point pKa , pKb , pKc , pKd : Negative of the logarithm of the acid dissociation constants for the COOH and NH2 groups (and, in some cases, other groups) in the molecule (at 25°C) pI: pH at the isoelectric point Solubility in water in units of grams of compound per S: kilogram of water; a temperature of 25°C is understood unless otherwise stated in a superscript. When quantitative data are not available, the notations sl.s. (for slightly soluble), s. (for soluble), and v.s. (for very soluble) are used. V20: Partial molar volume in aqueous solution at infinite dilution (at 25°C) Data on the enthalpy of formation of many of these compounds are included in the table “Standard Thermodynamic Properties of Symbol Ala Arg Asn Asp Cys Gln Glu Gly His Ile Leu Lys Met Phe Pro Ser Thr Trp Tyr Val
Name L-Alanine L-Arginine L-Asparagine L-Aspartic acid L-Cysteine L-Glutamine L-Glutamic acid Glycine L-Histidine L-Isoleucine L-Leucine L-Lysine L-Methionine L-Phenylalanine L-Proline L-Serine L-Threonine L-Tryptophan L-Tyrosine L-Valine
Name N-Acetylglutamic acid N6-Acetyl-L-lysine b-Alanine 2-Aminoadipic acid DL-2-Aminobutanoic acid DL-3-Aminobutanoic acid 4-Aminobutanoic acid 10-Aminodecanoic acid
Mol. form C3H7NO2 C6H14N4O2 C4H8N2O3 C4H7NO4 C3H7NO2S C5H10N2O3 C5H9NO4 C2H5NO2 C6H9N3O2 C6H13NO2 C6H13NO2 C6H14N2O2 C5H11NO2S C9H11NO2 C5H9NO2 C3H7NO3 C4H9NO3 C11H12N2O2 C9H11NO3 C5H11NO2 Mol. form C7H11NO5 C8H16N2O3 C3H7NO2 C6H11NO4 C4H9NO2 C4H9NO2 C4H9NO2 C10H21NO2
Mr 89.09 174.20 132.12 133.10 121.16 146.14 147.13 75.07 155.15 131.17 131.17 146.19 149.21 165.19 115.13 105.09 119.12 204.23 181.19 117.15
tm/°C 297 244 235 270 240 185 160 290 287 284 293 224 281 283 221 228 256 289 343 315
Mr 189.17 188.22 89.09 161.16 103.12 103.12 103.12 187.28
tm/°C 199 265 200 207 304 194.3 203 188.5
Chemical Substances” in Section 5 of this Handbook. Absorption spectra and optical rotation data can be found in Reference 3. Partial molar volume is taken from Reference 5; other thermodynamic properties, including solubility as a function of temperature, are given in References 3 and 5. Most of the pK values come from References 1, 6, and 7.
References 1. Dawson, R. M. C., Elliott, D. C., Elliott, W. H., and Jones, K. M., Data for Biochemical Research, Third Edition, Clarendon Press, Oxford, 1986. 2. O’Neil, Maryadele J., Ed., The Merck Index, Thirteenth Edition, Merck & Co., Rahway, NJ, 2001. 3. Sober, H. A., Ed., CRC Handbook of Biochemistry. Selected Data for Molecular Biology, CRC Press, Boca Raton, FL, 1968. 4. Voet, D., and Voet, J. G., Biochemistry, Second Edition, John Wiley & Sons, New York, 1995. 5. Hinz, H. J., Ed., Thermodynamic Data for Biochemistry and Biotechnology, Springer–Verlag, Heidelberg, 1986. 6. Fasman, G. D., Ed. Practical Handbook of Biochemistry and Molecular Biology, CRC Press, Boca Raton, FL, 1989. 7. Smith, R. M., and Martell, A. E., NIST Standard Reference Database 46: Critically Selected Stability Constants of Metal Complexes Database, Version 3.0, National Institute of Standards and Technology, Gaithersburg, MD, 1997. 8. Ramasami, P., J. Chem. Eng. Data, 47, 1164, 2002.
pKa 2.33 2.03 2.16 1.95 1.91 2.18 2.16 2.34 1.70 2.26 2.32 2.15 2.16 2.18 1.95 2.13 2.20 2.38 2.24 2.27
pKb 9.71 9.00 8.73 9.66 10.28 9.00 9.58 9.58 9.09 9.60 9.58 9.16 9.08 9.09 10.47 9.05 8.96 9.34 9.04 9.52
pKc
pKd
pI 6.00 10.76 5.41 2.77 5.07 5.65 3.22 5.97 7.59 6.02 5.98 9.74 5.74 5.48 6.30 5.68 5.60 5.89 5.66 5.96
12.10 3.71 8.14 4.15 6.04
10.67
10.10
pKa
pKb
2.12 3.51 2.14 2.30 3.43 4.02
9.51 10.08 4.21 9.63 10.05 10.35
pKc
9.77
pKd
S/g kg-1 166.9 182.6 25.1 5.04 v.s. 42 8.6 239 43.5 34.2 23.8 5.8 56 27.9 1625 250 90.6 13.2 0.51 88 pI
3.18 6.06 7.30
S/g kg-1 s. 890 2.240 210 1250 971
V20/cm3 mol-1 60.54 127.42 78.0 74.8 73.45 89.85 43.26 98.3 105.80 107.77 108.5 105.57 121.5 82.76 60.62 76.90 143.8 90.75 V20/cm3 mol-1
58.28 75.6 76.3 73.2 167.3
7-1
Properties of Amino Acids
7-2 Name 7-Aminoheptanoic acid 6-Aminohexanoic acid L-3-Amino-2methylpropanoic acid 2-Amino-2-methylpropanoic acid 9-Aminononanoic acid 8-Aminooctanoic acid 5-Amino-4-oxopentanoic acid 5-Aminopentanoic acid o-Anthranilic acid Azaserine Canavanine L-g-Carboxyglutamic acid Carnosine Citrulline Creatine L-Cysteic acid L-Cystine 2,4-Diaminobutanoic acid 3,5-Dibromo-L-tyrosine 3,5-Dichloro-L-tyrosine 3,5-Diiodo-L-tyrosine Dopamine L-Ethionine N-Glycylglycine Guanidinoacetic acid Histamine L-Homocysteine Homocystine L-Homoserine 3-Hydroxy-DL-glutamic acid 5-Hydroxylysine trans-4-Hydroxy-L-proline L-3-Iodotyrosine L-Kynurenine L-Lanthionine Levodopa L-1-Methylhistidine L-Norleucine L-Norvaline L-Ornithine O-Phosphoserine L-Pyroglutamic acid Sarcosine Taurine L-Thyroxine
Mol. form C7H15NO2 C6H13NO2 C4H9NO2
Mr 145.20 131.17 103.12
tm/°C 195 205 185
pKa
C4H9NO2
103.12
335
2.36
C9H19NO2 C8H17NO2 C5H9NO3
173.26 159.23 131.13
191 192 118
C5H11NO2 C7H7NO2 C5H7N3O4 C5H12N4O3 C6H9NO6 C9H14N4O3 C6H13N3O3 C4H9N3O2 C3H7NO5S C6H12N2O4S2 C4H10N2O2 C9H9Br2NO3 C9H9Cl2NO3 C9H9I2NO3 C8H11NO2 C6H13NO2S C4H8N2O3 C3H7N3O2 C5H9N3 C4H9NO2S C8H16N2O4S2 C4H9NO3 C5H9NO5 C6H14N2O3 C5H9NO3 C9H10INO3 C10H12N2O3 C6H12N2O4S C9H11NO4 C7H11N3O2 C6H13NO2 C5H11NO2 C5H12N2O2 C3H8NO6P C5H7NO3 C3H7NO2 C2H7NO3S C15H11I4NO4
117.15 137.14 173.13 176.17 191.14 226.23 175.19 131.13 169.16 240.30 118.13 338.98 250.08 432.98 153.18 163.24 132.12 117.11 111.15 135.19 268.35 119.12 163.13 162.19 131.13 307.08 208.21 208.24 197.19 169.18 131.17 117.15 132.16 185.07 129.12 89.09 125.15 776.87
157 dec 146 150 172 167 260 222 303 260 260 118.1 245 247 213 273 263 282 83 232 264 203 209 274 205 194 294 277 249 301 307 140 166 162 212 328 235
pKb
pKc
pKd
pI 7.29
10.21
4.05
8.90
2.05
4.95 8.55 6.60 9.90 9.35 9.30 14.30 8.70 8.80 8.24
2.50 1.70 2.51 2.32 2.63 1.89 1.50 1.85
2.12
5.72
9.25 4.75 6.76
3.20
1.30 2.05 10.44
8.03
6.16 8.88 13.10
2.15 1.59 2.27
9.83 8.57 9.44 9.28
6.11 10.38 2.54
2.13 1.82 2.20
8.85 9.47 9.10
9.83
2.32 1.69 2.31 2.31 1.94 2.14 3.32 2.18 -0.3 2.20
8.72 8.85 9.68 9.65 8.78 9.80
9.96 6.48
9.97 9.06 10.01
137
V20/cm3 mol-1 120.0 104.2 77.55 151.3 136.1
9.10 10.36 9.05 8.10
2.18 3.13 2.82
S/g kg-1 v.s. 850 s.
5.92
8.52
8.70
10.52 5.70
6.45
7.93
9.27
5.55 6.17 3.28 9.15 5.74
11.79 6.09 9.73
s. 3.514 v.s. v.s.
87.6
322 s. 16 v.s. 0.17 s. 2.72 1.97 0.62 s. 231 5 v.s. s. 0.2 1100
361 sl.s. sl.s. 1.5 520 200 15 107 v.s.
428 105 sl.s.
84.49
107.7 91.8
STRUCTURES OF COMMON AMINO ACIDS O H2N
N H
NH2
L-Alanine (Ala)
OH
OH
O
O
O
L-Glutamic acid (Glu)
O
HO
L-Histidine (His)
OH
OH
L-Phenylalanine (Phe)
OH O
NH2
L-Proline (Pro)
L-Threonine (Thr)
O
O N H
NH2
NH2
NH2
L-Tyrosine (Tyr)
O
HO
OH
OH
OH HO
L-Tryptophan (Trp)
NH
L-Serine (Ser)
O
NH2
N H
OH
HO
OH
NH2
O
O
O
O OH
L-Lysine (Lys)
OH
N H
NH2
L-Methionine (Met)
OH NH2
L-Leucine (Leu)
O
NH2
O
NH2
L-Isoleucine (Ile)
O S
Glycine (Gly)
H2N
OH
NH2
N H
OH
O OH
N NH2
O H2N
NH2
L-Glutamine (Gln)
O
NH2 OH
L-Aspartic acid (Asp)
OH
NH2
L-Cysteine (Cys)
O
HO
NH2
OH
O
O
NH2
O HO
OH
L-Asparagine (Asn)
OH
NH2
O
H2N
NH2
L-Arginine (Arg)
O HS
O
O
NH OH
L-Valine (Val)
O OH
H2N
OH OH
O
O
OH
NH2
O
N-Acetylglutamic acid
β-Alanine
N6-Acetyl-L-lysine
O
OH
NH2 O OH
2-Aminoadipic acid
H2N
OH
OH
O
H2N
O
NH2
DL-2-Aminobutanoic acid
DL-3-Aminobutanoic acid NH2 OH
O H2N
OH
O
O
O O NH2
N
O
5-Amino-4-oxopentanoic acid
NH O
HO NH2
OH
OH
O
O
2-Amino-2-methylpropanoic acid
N
6-Aminohexanoic acid H2N
H2N
O
L-3-Amino-2-methylpropanoic acid HO
4-Aminobutanoic acid
N H
NH2
5-Aminopentanoic acid
OH
OH
OH
O
O H 2N
O
OH
O
N
H2N
NH O
Azaserine
Canavanine
L-γ-Carboxyglutamic acid
N H
Carnosine
7-3
Section7.indb 3
5/3/05 7:45:27 AM
Structures of Common Amino Acids
7-4 O
O
HO
N H
NH2
NH2
HN
N
Creatine
OH
NH2
2,4-Diaminobutanoic acid
OH
H2N
NH2
OH
HO
O
L-Homocysteine
H2N
HN
N H
S
OH
NH2
OH NH2
H
O
trans-4-Hydroxy-L-proline
O
O
O
OH
N
L-Homoserine
OH
NH2
HO
NH2
O
O
Histamine
O
Homocystine
O
N H
O
HO
OH
N
OH
Guanidinoacetic acid
NH2
NH2
Dopamine
NH2
NH2 S
OH
3,5-Diiodo-L-tyrosine
OH
O
HO
I
N-Glycylglycine
O
NH2 OH
O
L-Ethionine
OH NH2
L-Cystine
NH2
HO
Br
H N
S
O
3,5-Dibromo-L-tyrosine
O S
O S
O
I
OH
HO O
HO
OH NH2
Br
NH2
HO
L-Cysteic acid
O H2N
HS
O S HO O
OH O
Citrulline
NH2
O
NH2
HO
S
O OH
NH2
NH2
OH NH2
HO
I
OH
L-3-Iodotyrosine
L-Kynurenine
L-Lanthionine
O
O HO NH2
L-1-Methylhistidine O P
O
OH NH2
O-Phosphoserine O
N H
OH
H2N NH2
NH2
L-Norleucine
O
HO O HO
OH
NH2
N
O
O OH
N
Levodopa
OH O
L-Pyroglutamic acid
L-Norvaline H N
L-Ornithine H2N
O OH
Sarcosine
O S OH O
Taurine
I
HO NH2
I
OH
O
I
I
L-Thyroxine
Section7.indb 4
5/3/05 7:45:42 AM
PROPERTIES OF PURINE AND PYRIMIDINE BASES This table lists some of the important purine and pyrimidine bases that occur in nucleic acids. The pKa values (negative logarithm of the acid dissociation constant) are given for each ioniza-
Purine
tion stage. The last column gives the aqueous solubility S at the indicated temperature in units of grams per 100 grams of solution. The numbering system in the rings is:
Pyrimidine
References 1. Dawson, R. M. C., et al., Data for Biochemical Research, 3rd ed., Clarendon Press, Oxford, 1986. 2. O’Neil, M. J., Ed., The Merck Index, 13th ed., Merck and Co., Rahway, NJ, 2001.
Common name Pyrimidines Cytosine 5-Methylcytosine
Systematic name
pKa values
Mol. form.
Mol. wt.
C4H5N3O
111.10
4.60
12.16
0.73 (25°C) 0.45 (25°C)
C5H7N3O
125.13
4.6
12.4
Uracil Thymine Orotic acid
4-Amino-2-hydroxypyrimidine 4-Amino-2-hydroxy-5methylpyrimidine 4-Amino-2-hydroxy-5-hydroxymethylpyrimidine 2,4-Dihydroxypyrimidine 5-Methyluracil Uracil-6-carboxylic acid
C5H7N3O2 C4H4N2O2 C5H6N2O2 C5H4N2O4
141.13 112.09 126.11 156.10
4.3 0.5 9.94 2.4
13 9.5 >13 9.5
Purines Adenine Guanine 7-Methylguanine Isoguanine Xanthine Hypoxanthine Uric acid
6-Aminopurine 2-Amino-6-hydroxypurine 7-Methyl-2-amino-6-hydroxypurine 6-Amino-2-hydroxypurine 2,6-Dioxopurine 6-Hydroxypurine 2,6,8-Trihydroxypurine
C5H5N5 C5H5N5O C6H7N5O C5H5N5O C5H4N4O2 C5H4N4O C5H4N4O3
135.14 151.13 165.16 151.13 152.11 136.11 168.11
<1 3.3 3.5 4.5 0.8 2.0 5.4
4.3 9.2 9.9 9.0 7.4 8.9 11.3
5-Hydroxymethylcytosine
S/mass % (temp.)
>13 >13
0.27 (25°C) 0.35 (25°C) 0.18 (18°C)
9.83 12.3
0.104 (25°C) 0.0068 (40°C)
11.1 12.1
0.006 (25°C) 0.05 (20°C) 0.07 (19°C) 0.002 (20°C)
7-5
Section7.indb 5
5/3/05 7:45:44 AM
THE GENETIC CODE This table gives the correspondence between a messenger RNA codon and the amino acid which it specifies. The symbols for bases in the codon are: U: uracil C: cytosine A: adenine G: guanine
First position U
C
A
G
U Phe Phe Leu Leu Leu Leu Leu Leu Ile Ile Ile Met (init) Val Val Val Val (init)
C Ser Ser Ser Ser Pro Pro Pro Pro Thr Thr Thr Thr Ala Ala Ala Ala
The amino acid symbols are given in the table entitled â&#x20AC;&#x153;Structures of Common Amino Acidsâ&#x20AC;?. A chain-initiating codon is indicated by init and a chain-terminating codon by term. Example: UCA codes for Ser, UAC codes for Tyr, etc.
Second position A Tyr Tyr term term His His Gln Gln Asn Asn Lys Lys Asp Asp Glu Glu
G Cys Cys term Trp Arg Arg Arg Arg Ser Ser Arg Arg Gly Gly Gly Gly
Third position U C A G U C A G U C A G U C A G
7-6
Section7.indb 6
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PROPERTIES OF FATTY ACIDS This table gives the systematic names and selected properties of some of the more important fatty acids of five or more carbon atoms. Compounds are listed first by degree of saturation and, secondly, by number of carbon atoms. The following data are included:
References 1. Dawson, R. M. C., Elliott, D. C., Elliott, W. H., and Jones, K. M., Data for Biochemical Research, 3rd ed., Clarendon Press, Oxford, 1986. 2. Fasman, G. D., Ed., Practical Handbook of Biochemistry and Molecular Biology, CRC Press, Boca Raton, FL, 1989.
Mr: Molecular weight S: Aqueous solubility at 20°C in units of grams of solute per 100 grams of water tm: Melting point in °C Common name
Systematic name
Mol. form.
Mr
tm/°C
Saturated Valeric acid Isovaleric acid Caproic acid Enanthic acid Caprylic acid Pelargonic acid Capric acid Lauric acid Tridecylic acid Myristic acid Pentadecylic acid Palmitic acid Margaric acid Stearic acid Arachidic acid Phytanic acid Behenic acid Lignoceric acid Cerotic acid Montanic acid
Pentanoic acid 3-Methylbutanoic acid Hexanoic acid Heptanoic acid Octanoic acid Nonanoic acid Decanoic acid Dodecanoic acid Tridecanoic acid Tetradecanoic acid Pentadecanoic acid Hexadecanoic acid Heptadecanoic acid Octadecanoic acid Eicosanoic acid 3,7,11,15-Tetramethylhexadecanoic acid Docosanoic acid Tetracosanoic acid Hexacosanoic acid Octacosanoic acid
C5H10O2 C5H10O2 C6H12O2 C7H14O2 C8H16O2 C9H18O2 C10H20O2 C12H24O2 C13H26O2 C14H28O2 C15H30O2 C16H32O2 C17H34O2 C18H36O2 C20H40O2 C20H40O2 C22H44O2 C24H48O2 C26H52O2 C28H56O2
102.13 102.13 116.16 130.19 144.21 158.24 172.27 200.32 214.35 228.38 242.40 256.43 270.46 284.48 312.54 312.54 340.59 368.64 396.70 424.75
–33.6 –29.3 –3 –7.17 16.5 12.4 31.4 43.8 41.5 54.2 52.3 62.5 61.3 69.3 76.5 -65 81.5 87.5 88.5 90.9
Monounsaturated Caproleic acid Palmitoleic acid Oleic acid Elaidic acid Vaccenic acid Erucic acid Brassidic acid Nervonic acid
9-Decenoic acid cis-9-Hexadecenoic acid cis-9-Octadecenoic acid trans-9-Octadecenoic acid trans-11-Octadecenoic acid cis-13-Docosenoic acid trans-13-Docosenoic acid cis-15-Tetracosenoic acid
C10H18O2 C16H30O2 C18H34O2 C18H34O2 C18H34O2 C22H42O2 C22H42O2 C24H46O2
170.25 254.41 282.47 282.47 282.47 338.57 338.57 366.63
26.5 0.5 13.4 45 44 34.7 61.9 43
Diunsaturated Linoleic acid
cis,cis-9,12-Octadecadienoic acid
C18H32O2
280.45
–7
C18H30O2 C18H30O2
278.44 278.44
49 71.5
Linolenic acid
trans,cis,trans-9,11,13-Octadecatrienoic acid trans,trans,trans-9,11,13Octadecatrienoic acid cis,cis,cis-9,12,15-Octadecatrienoic acid
C18H30O2
278.44
–11
Tetraunsaturated Arachidonic acid
5,8,11,14-Eicosatetraenoic acid, (all-trans)
C20H32O2
304.47
–49.5
Triunsaturated cis-Eleostearic acid trans-Eleostearic acid
S 2.5 4.3 0.967 0.24 0.080 0.0284 0.015 0.0055 0.0033 0.0020 0.0012 0.00072 0.00042 0.00029
7-7
Section7.indb 7
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CARBOHYDRATE NAMES AND SYMBOLS The following table lists the systematic names and symbols for selected carbohydrates and some of their derivatives. The symbols for monosaccharide residues and derivatives are recommended by IUPAC for use in describing the structures of oligosaccharide chains. A more complete list can be found in the reference.
Common name Abequose N-Acetyl-2-deoxyneur-2-enaminic acid N-Acetylgalactosamine N-Acetylglucosamine N-Acetylneuraminic acid Allose Altrose Apiose Arabinitol Arabinose Arcanose Ascarylose Boivinose Chalcose Cladinose Colitose Cymarose 3-Deoxy-D-manno-oct-2-ulosonic acid 2-Deoxyribose 2,3-Diamino-2,3-dideoxy-D-glucose Diginose Digitalose Digitoxose 3,4-Di-O-methylrhamnose Ethyl glucopyranuronate Evalose Fructose Fucitol Fucose β-D-Galactopyranose 4-sulfate Galactosamine Galactose Glucitol Glucosamine Glucose Glucuronic acid N-Glycoloylneuraminic acid Gulose Hamamelose Idose Iduronic acid Lactose Lyxose Maltose Mannose 2-C-Methylxylose Muramic acid Mycarose Mycinose
Symbol Abe Neu2en5Ac GalNAc GlcNAc Neu5Ac All Alt Api Ara-ol Ara
Kdo dRib GlcN3N
Rha3,4Me2 GlcpA6Et Fru Fuc-ol Fuc β-D-Galp4S GalN Gal Glc-ol GlcN Glc GlcA Neu5Gc Gul Ido IdoA Lac Lyx Man Xyl2CMe Mur
Reference McNaught, A. D., Pure Appl. Chem., 68, 1919-2008, 1996.
Systematic name 3,6-Dideoxy-D-xylo-hexose
allo-Hexose altro-Hexose 3-C-(Hydroxymethyl)-glycero-tetrose Arabinitol arabino-Pentose 2,6-Dideoxy-3-C-methyl-3-O-methyl-xylo-hexose 3,6-Dideoxy-L-arabino-hexose 2,6-Dideoxy-D-gulose 4,6-Dideoxy-3-O-methyl-D-xylo-hexose 2,6-Dideoxy-3-C-methyl-3-O-methyl-L-ribo-hexose 3,6-Dideoxy-L-xylo-hexose 6-Deoxy-3-O-methyl-ribo-hexose 2-Deoxy-erythro-pentose 2,6-Dideoxy-3-O-methyl-lyxo-hexose 6-Deoxy-3-O-methyl-D-galactose 2,6-Dideoxy-D-ribo-hexose
6-Deoxy-3-C-methyl-D-mannose arabino-Hex-2-ulose 6-Deoxy-D-galactitol 6-Deoxygalactose 2-Amino-2-deoxygalactose galacto-Hexose 2-Amino-2-deoxyglucose gluco-Hexose
gulo-Hexose 2-C-(Hydroxymethyl)-D-ribose ido-Hexose β-D-Galactopyranosyl-(1→4)-D-glucose lyxo-Pentose α-D-Glucopyranosyl-(1→4)-D-glucose manno-Hexose 2-Amino-3-O-[(R)-1-carboxyethyl]-2-deoxy-D-glucose 2,6-Dideoxy-3-C-methyl-L-ribo-hexose 6-Deoxy-2,3-di-O-methyl-D-allose
7-8
Section7.indb 8
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Carbohydrate Names and Symbols Common name Neuraminic acid Panose Paratose Primeverose Psicose Quinovose Raffinose Rhamnose Rhodinose Ribose Ribose 5-phosphate Ribulose Rutinose Sarmentose Sedoheptulose Sorbose Streptose Sucrose Tagatose Talose Turanose Tyvelose Xylose Xylulose
Section7.indb 9
7-9 Symbol Neu
Psi Qui Rha Rib Rib5P Ribulo (Rul)
Sor
Tag Tal Tyv Xyl Xylulo (Xul)
Systematic name 5-Amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid α-D-Glucopyranosyl-(1→6)-α-D-glucopyranosyl-(1→ 4)-D-glucose 3,6-Dideoxy-D-ribo-hexose β-D-Xylopyranosyl-(1→6)-D-glucose ribo-Hex-2-ulose 6-Deoxyglucose β-D-Fructofuranosyl-α-D-galactopyranosyl-(1→6)-α-Dglucopyranoside 6-Deoxymannose 2,3,6-Trideoxy-L-threo-hexose ribo-Pentose erythro-Pent-2-ulose α-L-Rhamnopyranosyl-(1→6)-D-glucose 2,6-Dideoxy-3-O-methyl-D-xylo-hexose D-altro-Hept-2-ulose xylo-Hex-2-ulose 5-Deoxy-3-C-formyl-L-lyxose β-D-Fructofuranosyl-α-D-glucopyranoside lyxo-Hex-2-ulose talo-Hexose α-D-Glucopyranosyl-(1→3)-D-fructose 3,6-Dideoxy-D-arabino-hexose xylo-Pentose threo-Pent-2-ulose
5/3/05 7:45:47 AM
Biological Buffers This table of frequently used buffers gives the pKa value at 25°C and the useful pH range of each buffer. The buffers are listed in order of increasing pH. Acronym
MES BIS TRIS ADA ACES PIPES MOPSO BIS TRISPROPANE BES MOPS HEPES TES DIPSO TAPSO TRIZMA HEPPSO POPSO EPPS TEA TRICINE BICINE TAPS AMPSO CHES CAPSO AMP CAPS a
The table is reprinted with permission of Sigma Chemical Company, St. Louis, Mo.
Name 2-(N-Morpholino)ethanesulfonic acid Bis(2-hydroxyethyl)iminotris(hydroxymethyl)methane N-(2-Acetamido)-2-iminodiacetic acid 2-[(2-Amino-2-oxoethyl)amino]ethanesulfonic acid Piperazine-N,N´-bis(2-ethanesulfonic acid) 3-(N-Morpholino)-2-hydroxypropanesulfonic acid 1,3-Bis[tris(hydroxymethyl)methylamino]propane N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid 3-(N-Morpholino)propanesulfonic acid N-(2-Hydroxyethyl)piperazine-N´-(2-ethanesulfonic acid) N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid 3-[N,N-Bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid 3-[N-Tris(hydroxymethyl)methylamino)-2-hydroxypropanesulfonic acid Tris(hydroxymethyl)aminomethane N-(2-hydroxyethyl)piperazine-N´-(2-hydroxypropanesulfonic acid) Piperazine-N,N´-bis(2-hydroxypropanesulfonic acid) N-(2-Hydroxyethyl)piperazine-N´-(3-propanesulfonic acid) Triethanolamine N-Tris(hydroxymethyl)methylglycine N,N-Bis(2-hydroxyethyl)glycine N-Tris(hydroxymethyl)methyl-3-aminopropanesulfonic acid 3-[(1,1-Dimethyl-2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid 2-(N-Cyclohexylamino)ethanesulfonic acid 3-(Cyclohexylamino)-2-hydroxy-1-propanesulfonic acid 2-Amino-2-methyl-1-propanol 3-(Cyclohexylamino)-1-propanesulfonic acid
Mol. wt. 195.2 209.2 190.2 182.2 302.4 225.3 282.3 213.2 209.3 238.3 229.2 243.3 259.3 121.1 268.3 362.4 252.3 149.2 179.2 163.2 243.3 227.3 207.3 237.3 89.1 221.3
pKa 6.1 6.5 6.6 6.8 6.8 6.9 6.8a 7.1 7.2 7.5 7.5 7.6 7.6 8.1 7.8 7.8 8.0 7.8 8.1 8.3 8.4 9.0 9.3 9.6 9.7 10.4
Useful pH range 5.5–6.7 5.8–7.2 6.0–7.2 6.1–7.5 6.1–7.5 6.2–7.6 6.3–9.5 6.4–7.8 6.5–7.9 6.8–8.2 6.8–8.2 7.0–8.2 7.0–8.2 7.0–9.1 7.1–8.5 7.2–8.5 7.3–8.7 7.3–8.3 7.4–8.8 7.6–9.0 7.7–9.1 8.3–9.7 8.6–10.0 8.9–10.3 9.0–10.5 9.7–11.1
pKa = 9.0 for the second dissociation stage.
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TYPICAL pH VALUES OF BIOLOGICAL MATERIALS AND FOODS This table gives typical pH ranges for various biological fluids and common foods. All values refer to 25°C.
Biological Materials Blood, human 7.35–7.45 6.9–7.2 Blood, dog 7.3–7.5 Spinal fluid, human 6.5–7.5 Saliva, human 1.0–3.0 Gastric contents, human 4.8–8.2 Duodenal contents, human 4.6–8.4 Feces, human 4.8–8.4 Urine, human 6.6–7.6 Milk, human 6.8–7.0 Bile, human Apples Apricots Asparagus Bananas Beans Beers Beets Blackberries Bread, white Butter Cabbage Carrots Cheese Cherries Cider Corn Crackers Dates Eggs, fresh white Flour, wheat Gooseberries Grapefruit Grapes
Foods
2.9–3.3 3.6–4.0 5.4–5.8 4.5–4.7 5.0–6.0 4.0–5.0 4.9–5.5 3.2–3.6 5.0–6.0 6.1–6.4 5.2–5.4 4.9–5.3 4.8–6.4 3.2–4.0 2.9–3.3 6.0–6.5 6.5–8.5 6.2–6.4 7.6–8.0 5.5–6.5 2.8–3.0 3.0–3.3 3.5–4.5
Hominy (lye) Jams, fruit Jellies, fruit Lemons Limes Maple syrup Milk, cows Olives Oranges Oysters Peaches Pears Peas Pickles, dill Pickles, sour Pimento Plums Potatoes Pumpkin Raspberries Rhubarb Salmon Sauerkraut Shrimp Soft drinks Spinach Squash Strawberries Sweet potatoes Tomatoes Tuna Turnips Vinegar Water, drinking Wines
6.8–8.0 3.5–4.0 2.8–3.4 2.2–2.4 1.8–2.0 6.5–7.0 6.3–6.6 3.6–3.8 3.0–4.0 6.1–6.6 3.4–3.6 3.6–4.0 5.8–6.4 3.2–3.6 3.0–3.4 4.6–5.2 2.8–3.0 5.6–6.0 4.8–5.2 3.2–3.6 3.1–3.2 6.1–6.3 3.4–3.6 6.8–7.0 2.0–4.0 5.1–5.7 5.0–5.4 3.0–3.5 5.3–5.6 4.0–4.4 5.9–6.1 5.2–5.6 2.4–3.4 6.5–8.0 2.8–3.8
7-17
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CHEMICAL COMPOSITION OF THE HUMAN BODY The elemental composition of the “standard man” of mass 70 kg is given below.
Element Oxygen Carbon Hydrogen Nitrogen Calcium Phosphorus Sulfur Potassium Sodium Chlorine Magnesium Silicon Iron Fluorine Zinc Rubidium Strontium Bromine Lead Copper Aluminum Cadmium Boron Barium Tin Manganese Iodine Nickel Gold Molybdenum Chromium Cesium Cobalt Uranium Beryllium Radium
References 1. Padikal, T. N., and Fivozinsky, S. P., Medical Physics Data Book, National Bureau of Standards Handbook 138, U. S. Government Printing Office, Washington, DC, 1981. 2. Snyde, W. S., et al., Reference Man: Anatomical, Physiological, and Metabolic Characteristics, Pergamon, New York, 1975.
Amount (g) 43,000 16,000 7000 1800 1000 780 140 140 100 95 19 18 4.2 2.6 2.3 0.32 0.32 0.20 0.12 0.072 0.061 0.050 <0.048 0.022 <0.017 0.012 0.013 0.010 <0.010 <0.0093 <0.0018 0.0015 0.0015 0.00009 0.000036 3.1·10–11
Percent of total body mass 61 23 10 2.6 1.4 1.1 0.20 0.20 0.14 0.12 0.027 0.026 0.006 0.0037 0.0033 0.00046 0.00046 0.00029 0.00017 0.00010 0.00009 0.00007 0.00007 0.00003 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.000003 0.000002 0.000002 0.0000001
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STANDARD TRANSFORMED GIBBS ENERGIES OF FORMATION FOR BIOCHEMICAL REACTANTS Robert N. Goldberg and Robert A. Alberty This table contains values of the standard transformed Gibbs energies of formation ∆fG´° for 130 biochemical reactants. Values of ∆fG´° are given at pH 7.0, the temperature 298.15 K, and the pressure 100 kPa for three ionic strengths: I = 0, I = 0.1 mol/L and I = 0.25 mol/L. The table can be used for calculating apparent equilibrium constants K´ and standard apparent reduction potentials E´° for biochemical reactions. Such a listing is more compact than tabulating the actual apparent equilibrium constants or standard apparent reduction potentials, which would require a very large number of reactant-product combinations. In the table, all reactants are in aqueous solution unless indicated otherwise. A biochemical reactant is a sum of species. For example, ATP consists of an equilibrium mixture of the aqueous species ATP4-, HATP3-, H2ATP2-, MgATP2-, etc. Similarly, phosphate refers to the equilibrium mixture of the aqueous species PO43-, HPO42-, H2PO4-, H3PO4, MgHPO4, etc. Biochemical reactions are written using biochemical reactants in terms of an apparent equilibrium constant K´, which is distinct from the standard equilibrium constant K. This subject is discussed in an IUPAC report (see Reference 1 below). The apparent equilibrium constant K´ and the standard transformed Gibbs energy change ∆rG´° for a biochemical reaction can be calculated from the ∆fG´° values by using the relationship
At pH 7.00 and I = 0.25 M, ∆rG´° and K´ are calculated as follows: ∆rG´° = {-1424.70 - 1059.49 - (-2292.50 –155.66)}∙(kJ mol-1) = -36.03 kJ mol-1 K´ = exp[-(-36030 J mol-1)/{(8.3145 J mol-1 K-1)∙(298.15 K)} = 2.05∙106 An example involving a biochemical half-cell reaction is acetaldehyde(aq) + 2 e- = ethanol(aq). At 298.15 K, pH 7.00, and I = 0, the standard apparent reduction potential E´° can be calculated as follows E´° = -(1/nF)·{∆fG´°(ethanol) - ∆fG´°(acetaldehyde)}, where n is the number of electrons in the half-cell reaction and F is the Faraday constant. Then, E´° = [-1/(2·9.6485·104 C mol-1)]·(58.10·103 J mol-1 - 20.83·103 J mol-1) = -0.193 V
References
-RT ln K´ = ∆rG´° = Σν'i ∆fG´°, where the summation is over all of the biochemical reactants. The quantity ν'i is the stoichiometric number of reactant i (ν'i is positive for reactants on the right side of the equation and negative for reactants on the left side); R is the gas constant. As an example, the hydrolysis reaction of ATP is ATP + H2O(l) = ADP + phosphate.
Reactant Acetaldehyde Acetate Acetone Acetyl Coenzyme A Acetylphosphate cis-Aconitate Adenine Adenosine Adenosine 5’-diphosphate (ADP) Adenosine 5’-monophosphate (AMP) Adenosine 5’-triphosphate (ATP) D-Alanine Ammonia D-Arabinose L-Asparagine L-Aspartate 1,3-Biphosphoglycerate Butanoate 1-Butanol
1. Alberty, R.A., Cornish-Bowden, A., Gibson, Q.H., Goldberg, R.N., Hammes, G., Jencks, W., Tipton, K.F, Veech, R., Westerhoff, H.V., and Webb, E.C. Pure Appl. Chem. 66, 1641-1666, 1994. 2. Alberty, R.A., Arch. Biochem. Biophys., 353, 116-130, 1998; 358, 25-39, 1998. 3. Alberty, R.A., Thermodynamics of Biochemical Reactions, WileyInterscience, New York, 2003. 4. Alberty, R.A., BasicBiochemData2: Data and Programs for Biochemical Thermodynamics, <http://library.wolfram.com/infocenter/MathSource/797>. ∆fG´°(I = 0) kJ mol-1 20.83 -249.46 80.04 -60.49 -1109.34 -797.26 510.45 324.93 -1428.93 -562.04 -2292.61 -91.31 80.50 -342.67 -206.28 -456.14 -2202.06 -72.94 227.72
∆fG´°(I = 0.1 M) kJ mol-1 23.27 -248.23 83.71 -58.65 -1107.57 -800.93 513.51 332.89 -1425.55 -556.53 -2292.16 -87.02 82.34 -336.55 -201.38 -453.08 -2205.69 -69.26 233.84
∆fG´°(I = 0.25 M) kJ mol-1 24.06 -247.83 84.90 -58.06 -1107.02 -802.12 514.50 335.46 -1424.70 -554.83 -2292.50 -85.64 82.93 -334.57 -199.80 -452.09 -2207.30 -68.08 235.82
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Standard Transformed Gibbs Energies of Formation for Biochemical Reactants Reactant Citrate Isocitrate Coenzyme A (CoA) CO(aq) CO(g) CO2(aq)[total] CO2(g) Creatine Creatinine L-Cysteine L-Cystine Cytochrome c [oxidized] Cytochrome c [reduced] Dihydroxyacetone phosphate Ethanol Ethyl acetate Ferredoxin [oxidized] Ferredoxin [reduced] Flavine adenine dinucleotide (FAD) [oxidized] Flavine adenine dinucleotide (FAD) [reduced] Flavin adenine dinucleotide-enzyme (FADenz) [oxidized] Flavin adenine dinucleotide-enzyme (FADenz) [reduced] Flavin mononucleotide (FMN) [oxidized] Flavin mononucleotide (FMN) [reduced] Formate D-Fructose D-Fructose 1,6-diphosphate D-Fructose 6-phosphate Fumarate D-Galactose α-D-Galactose 1-phosphate D-Glucose α-D-Glucose 1-phosphate D-Glucose 6-phosphate Glutamate D-Glutamine Glutathione [oxidized] Glutathione [reduced] Glutathione-coenzyme A D-Glyceraldehyde 3-phosphate Glycerol sn-Glycerol 3-phosphate Glycine Glycolate Glycylglycine Glyoxylate H2(aq) H2(g) H2O(l) H2O2(aq) 3-Hydroxypropanoate Hypoxanthine Indole Lactate Lactose L-Leucine L-Isoleucine D-Lyxose Malate Maltose
S07_10.indd 11
∆fG´°(I = 0) kJ mol-1 -963.46 -956.82 -7.98 -119.90 -137.17 -547.33 -394.36 100.41 256.55 -59.23 -187.03 0.00 -24.51 -1096.60 58.10 -18.00 0.00 38.07 1238.65 1279.68 1238.65 1229.96 759.17 800.20 -311.04 -436.03 -2202.84 -1321.71 -521.97 -429.45 -1317.50 -436.42 -1318.03 -1325.00 -377.82 -128.46 1198.69 625.75 563.49 -1088.94 -177.83 -1080.22 -180.13 -411.08 -200.55 -428.64 97.51 79.91 -157.28 -54.12 -318.62 249.33 503.49 -316.94 -688.29 167.18 175.53 -349.58 -682.88 -695.65
∆fG´°(I = 0.1 M) kJ mol-1 -965.49 -958.84 -7.43 -119.90 -137.17 -547.15 -394.36 105.92 260.84 -55.01 -179.69 -5.51 -26.96 -1095.91 61.77 -13.10 -0.61 38.07 1255.17 1297.43 1255.17 1247.71 768.35 810.61 -311.04 -428.69 -2205.66 -1317.16 -523.19 -422.11 -1313.01 -429.08 -1313.34 -1320.37 -373.54 -122.34 1214.60 634.76 572.06 -1088.25 -172.93 -1077.83 -177.07 -409.86 -195.65 -428.64 98.74 81.14 -156.05 -52.89 -316.17 251.77 507.78 -314.49 -674.83 175.14 183.49 -343.46 -682.85 -682.19
7-11 ∆fG´°(I = 0.25 M) kJ mol-1 -966.23 -959.58 -7.26 -119.90 -137.17 -547.10 -394.36 107.69 262.22 -53.65 -177.32 -7.29 -27.75 -1095.70 62.96 -11.52 -0.81 38.07 1260.51 1303.16 1260.51 1253.44 771.32 813.97 -311.04 -426.32 -2206.78 -1315.74 -523.58 -419.74 -1311.60 -426.71 -1311.89 -1318.92 -372.16 -120.36 1219.74 637.62 574.83 -1088.04 -171.35 -1077.13 -176.08 -409.46 -194.07 -428.64 99.13 81.53 -155.66 -52.50 -315.38 252.56 509.16 -313.70 -670.48 177.71 186.06 -341.48 -682.85 -677.84
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Standard Transformed Gibbs Energies of Formation for Biochemical Reactants
7-12 Reactant
D-Mannitol Mannose Methane(aq) Methane(g) Methanol L-Methionine N2(aq) N2(g) Nicotinamide Adenine Dinucleotide (NAD) [oxidized] Nicotinamide Adenine Dinucleotide (NAD) [reduced] Nicotinamide Adenine Dinucleotide Phosphate (NADP) [oxidized] Nicotinamide Adenine Dinucleotide Phosphate (NADP) [reduced] O2(aq) O2(g) Oxalate Oxaloacetate Oxalosuccinate 2-Oxoglutarate Palmitate L-Phenylalanine Phosphate 2-Phospho-D-glycerate 3-Phospho-D-glycerate Phosphoenolpyruvate 1-Propanol 2-Propanol Pyrophosphate Pyruvate Retinal Retinol Ribose Ribose 1-phosphate Ribose 5-phosphate Ribulose L-Serine Sorbose Succinate Succinyl Coenzyme A Sucrose Thioredoxin [oxidized] Thioredoxin [reduced] L-Tryptophan L-Tyrosine Ubiquinone [oxidized] Ubiquinone [reduced] Urate Urea Uric acid L-Valine D-Xylose D-Xylulose
S07_10.indd 12
∆fG´°(I = 0) kJ mol-1 -383.22 -430.52 125.50 109.11 -15.48 -63.40 18.70 0.00 1038.86 1101.47 163.73 229.67 16.40 0.00 -673.90 -713.38 -979.05 -633.58 979.25 232.42 -1058.56 -1340.72 -1346.38 -1185.46 143.84 134.42 -1934.95 -352.40 1118.78 1170.78 -339.23 -1215.87 -1223.95 -336.38 -231.18 -432.47 -530.72 -349.90 -685.66 0.00 54.32 364.78 68.82 3596.07 3586.06 -206.03 -42.97 -197.07 80.87 -350.93 -346.59
∆fG´°(I = 0.1 M) kJ mol-1 -374.65 -423.18 127.94 111.55 -13.04 -56.67 18.70 0.00 1054.17 1115.55 173.52 235.79 16.40 0.00 -676.35 -714.60 -979.05 -633.58 997.61 239.15 -1059.17 -1341.32 -1347.19 -1188.53 148.74 139.32 -1939.13 -351.18 1135.91 1189.14 -333.11 -1212.24 -1220.32 -330.26 -226.89 -425.13 -530.65 -348.06 -672.20 0.00 55.41 372.12 75.55 3651.15 3642.37 -204.81 -40.53 -194.63 87.60 -344.81 -340.47
∆fG´°(I = 0.25 M) kJ mol-1 -371.89 -420.81 128.73 112.34 -12.25 -54.49 18.70 0.00 1059.11 1120.09 176.68 237.77 16.40 0.00 -677.14 -715.00 -979.05 -633.58 1003.54 241.33 -1059.49 -1341.79 -1347.73 -1189.73 150.32 140.90 -1940.66 -350.78 1141.45 1195.07 -331.13 -1211.14 -1219.22 -328.28 -225.51 -422.76 -530.64 -347.47 -667.85 0.00 55.74 374.49 77.73 3668.94 3660.55 -204.41 -39.74 -193.84 89.78 -342.83 -338.49
5/3/05 10:46:12 AM
THERMODYNAMIC QUANTITIES FOR THE IONIZATION REACTIONS OF BUFFERS IN WATER Robert N. Goldberg, Nand Kishore, and Rebecca M. Lennen This table contains selected values for the pK, standard molar enthalpy of reaction ∆rH°, and standard molar heat-capacity change ∆rC°p for the ionization reactions of 64 buffers many of which are relevant to biochemistry and to biology.1 The values pertain to the temperature T = 298.15 K and the pressure p = 0.1 MPa. The standard state is the hypothetical ideal solution of unit molality. These data permit one to calculate values of the pK and of ∆rH° at temperatures in the vicinity {T ≈ (274 K to 350 K)} of the reference temperature θ = 298.15 K by using the following equations2 ∆rG°T = –RT lnKT = ln(10)·RT·pKT ,
(1)
RlnKT = –(∆rG°θ /θ) + ∆rH°θ {(1/θ ) – (1/T )} + ∆rC°pθ {(θ /T ) – 1 + ln(T/θ )}, (2) ∆rH°T = ∆rH°θ + ∆rC°pθ (T – θ ).
(3)
Here, ∆rG° is the standard molar Gibbs energy change and K is the equilibrium constant for a reaction; R is the gas constant (8.314 472 J K–1 mol–1). The subscripts T and θ denote the temperature to which a quantity pertains, the subscript p denotes constant pres-
sure, and the subscript r denotes that the quantity refers to a reaction. Combination of equations (1) and (2) yields the following equation that gives pK as a function of temperature: pKT = –{R·ln(10)}–1[–{ln(10)·RT·pKθ /θ } + ∆rH°θ {(1/θ ) – (1/T )} + ∆rC°pθ {(θ /T ) – 1 + ln(T/θ )}]. (4) The above equations neglect higher order terms that involve temperature derivatives of ∆rC°p. Also, it is important to recognize that the values of pK and ∆rH° effectively pertain to ionic strength I = 0. However, the values of pK and ∆rH° are almost always dependent on the ionic strength and the actual composition of the solution. These issues are discussed in Reference 1 which also gives an approximate method for making appropriate corrections.
References 1. Goldberg, R. N., Kishore, N., and Lennen, R. M., “Thermodynamic Quantities for the Ionization Reactions of Buffers,” J. Phys. Chem. Ref. Data, in press. 2. Clarke, E. C. W., and Glew, D. N., Trans. Faraday Soc., 62, 539-547, 1966.
Selected Values of Thermodynamic Quantities for the Ionization Reactions of Buffers in Water at T = 298.15 K and p = 0.1 MPa Buffer ACES Acetate ADA
2-Amino-2-methyl-1,3-propanediol 2-Amino-2-methyl-1-propanol 3-Amino-1-propanesulfonic acid Ammonia AMPSO Arsenate
Barbital BES Bicine Bis-tris Bis-tris propane Borate Cacodylate CAPS CAPSO Carbonate CHES
Reaction HL± = H+ + L–, (HL = C4H10N2O4S) HL = H+ + L–, (HL = C2H4O2) H3L+ = H+ + H2L±, (H2L = C6H10N2O5) H2L± = H+ + HL– HL- = H+ + L2– HL+ = H+ + L, (L = C4H11NO2) HL+ = H+ + L, (L = C4H11NO) HL = H+ + L–, (HL = C3H9NO3S) NH 4+ = H+ + NH3 HL± = H+ + L–, (HL = C7H17NO5S) H3AsO4 = H+ + H2AsO–4 H2AsO-4 = H+ + HAsO42– HAsO2-4= H+ + AsO3– 4 H2L = H+ + HL–, (H2L = C8H12N2O3) HL- = H+ + L2– HL± = H+ + L–, (HL = C6H15NO5S) H2L+ = H+ + HL±, (HL = C6H13NO4) HL± = H+ + L– H3L+ = H+ + H2L±, (H2L = C8H19NO5) H2L2+ = H+ + HL+, (L = C11H26N2O6) HL+ = H+ + L H3BO3 = H+ + H2BO -–3 H2L+ = H+ + HL, (HL = C2H6AsO2) HL = H+ + L– HL± = H+ + L–, (HL = C9H19NO3S) HL± = H+ + L–, (HL = C9H19NO4S) H2CO3 = H+ + HCO-–3 HCO3- = H+ + CO2– 3 HL± = H+ + L–, (HL = C8H17NO3S)
pK 6.847 4.756 1.59 2.48 6.844 8.801 9.694 10.2 9.245 9.138 2.31 7.05 11.9 7.980 12.8 7.187 2.0 8.334 6.484 6.65 9.10 9.237 1.78 6.28 10.499 9.825 6.351 10.329 9.394
∆rH° kJ mol–1 30.43 –0.41 16.7 12.23 49.85 54.05
∆rC°p
J K–1 mol–1 –49 –142
–144 –44 ≈–21
51.95 43.19 –7.8 1.7 15.9 24.27
8 –61
–135
24.25
–2
26.34 28.4
0 27
13.8 –3.5 –3.0 48.1 46.67 9.15 14.70 39.55
≈–240 –86 57 21 –371 –249 9
7-13
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7-14 Buffer Citrate
L-Cysteine
Diethanolamine Diglycolate 3,3-Dimethylglutarate DIPSO Ethanolamine N-Ethylmorpholine Glycerol 2-phosphate Glycine Glycine amide Glycylglycine Glycylglycylglycine HEPES HEPPS HEPPSO L-Histidine
Hydrazine Imidazole Maleate 2-Mercaptoethanol MES Methylamine 2-Methylimidazole MOPS MOPSO Oxalate Phosphate
Phthalate Piperazine PIPES POPSO Pyrophosphate
Succinate Sulfate
Section7.indb 14
Thermodynamic Quantities for the Ionization Reactions of Buffers in Water Reaction H3L = H+ + H2L–, (H3L = C6H8O7) H2L- = H+ + HL2– HL2- = H+ + L3– H3L+ = H+ + H2L, (H2L = C3H7NO2S) H2L = H+ + HL– HL- = H+ + L2– HL+ = H+ + L, (L = C4H11NO2) H2L = H+ + HL–, (H2L = C4H6O5) HL- = H+ + L2– H2L = H+ + HL-, (H2L = C7H12O4) HL- = H+ + L2– HL± = H+ + L–, (HL = C7H17NO6S) HL+ = H+ + L, (L = C2H7NO) HL+ = H+ + L, (L = C6H13NO) H2L = H+ + HL–, (H2L = C3H9NO6P) HL– = H+ + L2– H2L+ = H+ + HL±, (HL = C2H5NO2) HL± = H+ + L– HL+ = H+ + L, (L = C2H6N2O) H2L+ = H+ + HL±, (HL = C4H8N2O3) HL± = H+ + L– H2L+ = H+ + HL±, (HL = C6H11N3O4) HL± = H+ + L– H2L+ = H+ + HL±, (HL = C8H18N2O4S) HL± = H+ + L– HL± = H+ + L–, (HL = C6H20N2O4S) HL± = H+ + L–, (HL = C9H20N2O5S) H3L2+ = H+ + H2L+, (HL = C6H9N3O2) H2L+ = H+ + HL HL = H+ + LH2L2+ = H+ + HL+, (L = H4N2) HL+ = H+ + L HL+ = H+ + L, (L = C3H4N2) H2L = H+ + HL–, (H2L = C4H4O4) HL- = H+ + L2– HL = H+ + L–, (HL = C2H6OS) HL± = H+ + L–, (HL = C6H13NO4S) HL+ = H+ + L, (L = CH5N) HL+ = H+ + L, (L = C4H6N2) HL± = H+ + L–, (HL = C7H15NO4S) H2L+ = H+ + HL±, (HL = C7H15NO5S) HL± = H+ + L– H2L = H+ + HL–, (H2L = C2H2O4) HL– = H+ + L2– H3PO4 = H+ + H2PO4H2PO-4 = H+ + HPO2-4 HPO2= H+ + PO434 H2L = H+ + HL-, (H2L = C8H6O4) HL- = H+ + L2– H2L2+ = H+ + HL+, (L = C4H10N2) HL+ = H+ + L HL± = H+ + L–, (HL = C8H18N2O6S2) HL± = H+ + L–, (HL = C10H22N2O8S2) H4P2O7 = H+ + H3P2O–7 H3P2O–7 = H+ + H2P2O2-7 H2P2O2-7 = H+ + HP2O3-7 HP2O3-7 = H+ + P2O4-7 H2L = H+ + HL–, (H2L = C4H6O4) HL– = H+ + L2– HSO–4 = H+ + SO2-4
pK 3.128 4.761 6.396 1.71 8.36 10.75 8.883 3.05 4.37 3.70 6.34 7.576 9.498 7.77 1.329 6.650 2.351 9.780 8.04 3.140 8.265 3.224 8.090 ≈3.0 7.564 7.957 8.042 1.54 6.07 9.34 –0.99 8.02 6.993 1.92 6.27 9.75 6.270 10.645 8.01 7.184 0.060 6.90 1.27 4.266 2.148 7.198 12.35 2.950 5.408 5.333 9.731 7.141 ≈8.0 0.83 2.26 6.72 9.46 4.207 5.636 1.987
∆rH° kJ mol–1 4.07 2.23 –3.38 ≈–0.6 36.1 34.1 42.08 –0.1 –7.2
30.18 50.52 27.4 –12.2 –1.85 4.00 44.2 42.9 0.11 43.4 0.84 41.7 20.4 21.3 23.70 3.6 29.5 43.8 38.1 41.7 36.64 1.1 –3.6 26.2 14.8 55.34 36.8 21.1 25.0 –3.9 7.00 –8.0 3.6 16.0 –2.70 –2.17 31.11 42.89 11.2 –9.2 –5.0 0.5 1.4 3.0 –0.5 –22.4
∆rC°p
J K–1 mol–1 –131 –178 –254 ≈–66 ≈–204 36 ≈–142 ≈–138
42 26 –330 –212 –139 –57 –128 –16
47 48 47 176 –233
–9 ≈–21 ≈–31 5 33 25 ≈38 ≈–231 –231 –141 –230 –242 –91 –295 86 75 22 ≈–90 ≈–130 –136 –141 –121 –217 –258
5/3/05 7:45:51 AM
Thermodynamic Quantities for the Ionization Reactions of Buffers in Water Buffer Sulfite TAPS TAPSO L(+)-Tartaric acid TES Tricine Triethanolamine Triethylamine Tris
Section7.indb 15
Reaction H2SO3 = H+ + HSO–3 HSO–3 = H+ + SO2-3 HL± = H+ + L–, (HL = C7H17NO6S) HL± = H+ + L–, (HL = C7H17NO7S) H2L = H+ + HL–, (H2L = C4H6O6) HL– = H+ + L2– HL± = H+ + L–, (HL = C6H15NO6S) H2L+ = H+ + HL±, (HL = C6H13NO5) HL± = H+ + L– HL+ = H+ + L, (L = C6H15NO3) HL+ = H+ + L, (L = C6H15N) HL+ = H+ + L, (L = C4H11NO3)
pK 1.857 7.172 8.44 7.635 3.036 4.366 7.550 2.023 8.135 7.762 10.72 8.072
7-15 ∆rH° kJ mol–1 –17.80 –3.65 40.4 39.09 3.19 0.93 32.13 5.85 31.37 33.6 43.13 47.45
∆rC°p
J K–1 mol–1 –272 –262 15 –16 –147 –218 0 –196 –53 50 151 –59
5/3/05 7:45:51 AM
NUTRIENT VALUES OF FOODS The U. S. Department of Agriculture maintains the USDA National Nutrient Database for Standard Reference, which contains over 7000 food items with data on the energy content, minerals, vitamins, and other properties of nutritional interest. The table here includes about 600 common foods extracted from that database. The properties listed are the energy content (in effect, the enthalpy of combustion); the content of carbohydrates, proteins, and lipids (fats); the cholesterol content; and the amount of sodium, potassium, calcium, magnesium, iron, copper, zinc, manganese, phosphorus, and selenium. All values are given for a 100 gram sample of the food. To conform with common practice in nutritional science, the energy content is given in kilocalories. For conversion to kilojoules, this number should be multiplied by 4.184. For conversion to the avoirdupois units frequently used in the United States, note that:
Food description
Carb. Protein g/ g/ 100 g 100 g
Fat g/ 100 g
The full USDA database covers specific proprietary brands of many processed foods, and it includes vitamin content as well as the minerals given in this table.
Reference U.S. Department of Agriculture, Agricultural Research Service. 2005. USDA National Nutrient Database for Standard Reference, Release 18. Nutrient Data Laboratory Home Page, http://www.ars.usda. gov/ba/bhnrc/ndl
Chol. Na K Ca Mg Fe Cu Zn Mn P Se mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ μg/ 100 g 100 g 100 g 100g 100 g 100 g 100 g 100 g 100 g 100 g 100 g
Alcoholic beverage, beer, light
29
1.6
0.2
0.0
0
4
21
4
5
0.03
0.006
0.01
0.006
12
0.4
Alcoholic beverage, beer, regular
43
3.6
0.5
0.0
0
4
27
4
6
0.02
0.005
0.01
0.008
14
0.6
Alcoholic beverage, dessert wine, sweet
160
13.7
0.2
0.0
0
9
92
8
9
0.24
0.045
0.07
0.119
9
0.5
Alcoholic beverage, distilled (gin, rum, vodka, whiskey), 80 proof Alcoholic beverage, distilled (gin, rum, vodka, whiskey), 90 proof Alcoholic beverage, distilled, all, 100 proof
231
0.0
0.0
0.0
0
1
2
0
0
0.04
0.021
0.04
0.018
4
0.0
263
0.0
0.0
0.0
0
1
2
0
0
0.04
0.021
0.04
0.018
4
0.0
295
0.0
0.0
0.0
0
1
2
0
0
0.04
0.021
0.04
0.018
4
0.0
Alcoholic beverage, liqueur, coffee, 63 proof
308
32.2
0.1
0.3
0
8
30
1
3
0.06
0.040
0.03
0.017
6
0.3
Alcoholic beverage, table wine, red
85
2.6
0.1
0.0
0
4
127
8
12
0.46
0.011
0.14
0.132
23
0.2
Alcoholic beverage, table wine, white
83
2.6
0.1
0.0
0
5
71
9
10
0.27
0.004
0.12
0.117
18
0.1
Almonds, dry roasted, w/o salt
597
19.3
22.1
52.8
0
1
746
266
286
4.51
1.170
3.54
2.620
489
2.8
Almonds, oil roasted, w/o salt
607
17.7
21.2
55.2
0
1
699
291
274
3.68
0.955
3.07
2.460
466
2.8
Apple juice, canned or bottled, unsweetened, w/o vitamin C Apples, raw, w/o skin
47
11.7
0.1
0.1
0
3
119
7
3
0.37
0.022
0.03
0.113
7
0.1
48
12.8
0.3
0.1
0
0
90
5
4
0.07
0.031
0.05
0.038
11
0.0
Apples, raw, with skin
52
13.8
0.3
0.2
0
1
107
6
5
0.12
0.027
0.04
0.035
11
0.0
Apricots, dried, sulfured, stewed, w. sugar
113
29.3
1.2
0.2
0
3
443
15
15
1.52
0.138
0.24
0.088
38
Apricots, dried, sulfured, stewed, w/o sugar
85
22.2
1.2
0.2
0
4
411
19
11
0.94
0.121
0.14
0.083
25
Artichokes, (globe or French), boiled, w/o salt
50
11.2
3.5
0.2
0
95
354
45
60
1.29
0.233
0.49
0.259
86
0.2
Arugula, raw
25
3.7
2.6
0.7
0
27
369
160
47
1.46
0.076
0.47
0.321
52
0.3
Asparagus, boiled
22
4.1
2.4
0.2
0
14
224
23
14
0.91
0.165
0.60
0.154
54
6.1
Asparagus, raw
20
3.9
2.2
0.1
0
2
202
24
14
2.14
0.189
0.54
0.158
52
2.3
Avocados, raw, all commercial varieties
160
8.5
2.0
14.7
0
7
485
12
29
0.55
0.190
0.64
0.142
52
0.4
Bagel, plain, toasted, enriched w. calcium propanoate Bagels, cinnamon-raisin, toasted
257
50.5
10.0
1.6
0
448
75
89
22
6.05
0.130
1.90
0.515
87
22.8
294
59.3
10.6
1.8
0
346
163
20
23
4.09
0.160
0.81
0.328
83
33.3
Baked beans, canned, no salt
105
20.6
4.8
0.4
0
1
296
50
32
0.29
0.206
1.40
12
1.9
1.5
0.2
0
4
533
12
3
0.24
0.082
0.47
0.113
Bamboo shoots, boiled, w/o salt Bananas, raw
Energy kcal/ 100 g
1 oz = 28.35 g (thus the 100 g basis in this table is approximately 3.5 oz) 1 lb = 453.6 g
0.8
104
4.5
20
0.4
89
22.8
1.1
0.3
0
1
358
5
27
0.26
0.078
0.15
0.270
22
1.0
Bass, freshwater, mixed species, cooked, dry heat
146
0.0
24.2
4.7
87
90
456
103
38
1.91
0.119
0.83
1.140
256
16.2
Bass, striped, cooked, dry heat
124
0.0
22.7
3.0
103
88
328
19
51
1.08
0.040
0.51
0.019
254
46.8
Beans, French, mature seeds, boiled, w/o salt
129
24.0
7.1
0.8
0
6
370
63
56
1.08
0.115
0.64
0.382
102
1.2
Beans, kidney, all types, mature seeds, boiled, w/o salt Beans, lima, immature seeds, canned
127
22.8
8.7
0.5
0
1
405
35
42
2.22
0.216
1.00
0.430
138
1.1
71
13.3
4.1
0.3
0
252
285
28
34
1.61
0.162
0.64
0.700
71
1.1
Beans, navy, mature seeds, canned
113
20.5
7.5
0.4
0
448
288
47
47
1.85
0.208
0.77
0.375
134
5.8
Beans, pinto, mature seeds, boiled, w/o salt
143
26.2
9.0
0.7
0
1
436
46
50
2.09
0.219
0.98
0.453
147
6.2
7-19
Nutrient Values of Foods
7-20
Food description Beans, snap, green, boiled, w/o salt Beef, bottom sirloin, tri-tip roast, lean & fat, 0” fat, choice, roasted Beef, brisket, flat half, lean & fat, 1/8” fat, select, braised Beef, chuck, arm pot roast, lean, 1/8” fat, choice, braised Beef, ground, 75% lean meat / 25% fat, patty, broiled Beef, ground, 95% lean meat / 5% fat, patty, broiled Beef, loin, porterhouse steak, lean & fat, 1/4” fat, all grades, broiled Beef, loin, T-bone steak, lean & fat, 1/4” fat, all grades, broiled Beef, rib, eye, small end (ribs 10-12), lean, 0” fat, choice, broiled Beef, rib, large end (ribs 6-9), lean & fat, 1/4” fat, choice, roasted Beef, round, bottom round roast, lean, 0” fat, select, roasted Beef, round, bottom round, lean & fat, 1/8” fat, all grades, roasted Beef, round, eye of round, lean & fat, 1/8” fat, all grades, roasted Beef, tenderloin, lean & fat, 1/8” fat, all grades, broiled Beef, top sirloin, lean & fat, 1/8” fat, select, broiled
Energy kcal/ 100 g
Carb. Protein g/ g/ 100 g 100 g
Fat g/ 100 g
Chol. Na K Ca Mg Fe Cu Zn Mn P Se mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ μg/ 100 g 100 g 100 g 100g 100 g 100 g 100 g 100 g 100 g 100 g 100 g
35
7.9
1.9
0.3
0
1
146
44
18
0.65
0.057
0.25
0.285
29
0.2
218
0.0
25.7
12.4
94
50
308
17
20
1.70
0.083
4.52
0.009
189
27.3
280
0.0
29.0
17.4
71
49
237
17
19
2.40
0.090
6.92
0.010
180
28.1
224
0.0
34.7
8.4
81
56
275
15
23
3.04
0.129
8.20
0.012
213
34.7
278
0.0
25.6
18.7
89
78
289
30
20
2.37
0.075
6.19
0.010
189
21.4
171
0.0
26.3
6.6
76
65
348
7
22
2.83
0.096
6.43
0.014
206
21.7
329
0.0
22.5
25.8
72
62
255
8
20
2.68
0.118
4.13
0.014
177
19.3
306
0.0
23.5
22.8
65
67
282
7
22
3.09
0.122
4.30
0.014
185
11.6
205
0.0
28.9
9.0
91
60
363
16
25
1.98
0.092
5.49
0.011
227
33.6
383
0.0
22.3
32.0
85
63
283
10
19
2.27
0.086
5.58
0.013
168
21.9
169
0.0
28.3
5.3
72
38
238
6
19
2.35
0.079
4.92
0.010
183
35.7
218
0.0
26.4
11.6
75
35
214
6
17
2.16
0.063
4.43
0.009
164
27.0
208
0.0
28.3
9.7
62
37
227
7
18
2.29
0.067
4.70
0.010
174
28.7
267
0.0
26.5
17.1
90
54
329
19
22
1.69
0.079
4.76
0.009
205
28.6 29.3
230
0.0
27.1
12.7
67
57
345
22
23
1.66
0.074
4.93
0.009
217
Beets, boiled
44
10.0
1.7
0.2
0
77
305
16
23
0.79
0.074
0.35
0.326
38
0.7
Blackberries, raw
43
9.6
1.4
0.5
0
1
162
29
20
0.62
0.165
0.53
0.646
22
0.4
Blueberries, raw
57
14.5
0.7
0.3
0
1
77
6
6
0.28
0.057
0.16
0.336
12
0.1
Bluefish, cooked, dry heat
159
0.0
25.7
5.4
76
77
477
9
42
0.62
0.068
1.04
0.027
291
46.8
Bologna, beef
314
4.0
10.3
28.2
56
1080
172
31
14
1.10
0.068
9.10
0.044
172
0.0
Bologna, pork
247
0.7
15.3
19.9
59
1184
281
11
14
0.77
0.080
2.03
0.036
139
12.7
Bratwurst, beef & pork, smoked
297
2.0
12.2
26.3
78
848
283
7
15
1.00
0.080
2.47
0.041
130
14.1
Bratwurst, pork, cooked
333
2.9
13.7
29.2
74
846
259
28
21
0.53
0.079
2.49
0.012
225
26.9
Brazil nuts, dried, unblanched
656
12.3
14.3
66.4
0
3
659
160
376
2.43
1.743
4.06
1.223
725
1917.0
Bread, cracked-wheat
260
49.5
8.7
3.9
0
538
177
43
52
2.81
0.222
1.24
1.371
153
25.3
Bread, Italian
271
50.0
8.8
3.5
0
584
110
78
27
2.94
0.191
0.86
0.464
103
27.2
Bread, mixed-grain, toasted (includes whole-grain, 7-grain) Bread, oatmeal
272
50.4
10.9
4.1
0
530
222
99
58
3.77
0.276
1.38
1.615
191
32.1
269
48.5
8.4
4.4
0
599
142
66
37
2.70
0.209
1.02
0.940
126
24.6
Bread, pita, white, enriched
275
55.7
9.1
1.2
0
536
120
86
26
2.62
0.168
0.84
0.481
97
27.1
Bread, pumpernickel
250
47.5
8.7
3.1
0
671
208
68
54
2.87
0.287
1.48
1.305
178
24.5
Bread, rye
259
48.3
8.5
3.3
0
660
166
73
40
2.83
0.186
1.14
0.824
125
30.9
Bread, white, commercially prepared
266
50.6
7.6
3.3
0
681
100
151
23
3.74
0.253
0.74
0.478
99
17.3
Bread, whole-wheat, commercially prepared
246
46.1
9.7
4.2
0
527
252
72
86
3.30
0.284
1.94
2.324
229
36.6
Broccoli, boiled, w/o salt
35
7.2
2.4
0.4
0
41
293
40
21
0.67
0.061
0.45
0.194
67
1.6
Broccoli, raw
34
6.6
2.8
0.4
0
33
316
47
21
0.73
0.049
0.41
0.210
66
2.5
Brussels sprouts, boiled, w/o salt
36
7.1
2.6
0.5
0
21
317
36
20
1.20
0.083
0.33
0.227
56
1.5
Butter, w. salt
717
0.1
0.9
81.1
215
576
24
24
2
0.02
0.000
0.09
0.000
24
1.0
Butter, w/o salt
717
0.1
0.9
81.1
215
11
24
24
2
0.02
0.016
0.09
0.004
24
1.0
Cabbage, boiled, w/o salt
22
4.5
1.0
0.4
0
8
97
31
8
0.17
0.012
0.09
0.117
15
0.6
Cabbage, raw
24
5.6
1.4
0.1
0
18
246
47
15
0.59
0.023
0.18
0.159
23
0.9
Cake, angel food, commercially prepared
258
57.8
5.9
0.8
0
749
93
140
12
0.52
0.078
0.07
0.085
32
7.3
Cake, carrot, dry mix, pudding-type
415
79.2
5.1
9.8
0
567
169
172
8
1.80
0.050
0.20
0.528
247
14.9
Cake, fruitcake, commercially prepared
324
61.6
2.9
9.1
5
270
153
33
16
2.07
0.050
0.27
0.220
52
2.0
Cake, pound, commercially prepared, butter
388
48.8
5.5
19.9
221
398
119
35
11
1.38
0.035
0.46
0.090
137
8.8
Cake, white, dry mix
426
78.0
4.5
10.9
0
664
117
192
11
1.39
0.081
0.46
0.205
337
8.6
Cake, yellow, dry mix, enriched
432
78.1
4.4
11.6
2
657
82
135
10
1.50
0.072
0.27
0.191
310
3.0
Candies, fudge, chocolate, prepared-from-recipe
411
76.5
2.4
10.4
14
47
131
45
36
1.77
0.333
1.10
0.423
69
2.5
Nutrient Values of Foods
Food description
7-21 Energy kcal/ 100 g
Carb. Protein g/ g/ 100 g 100 g
Fat g/ 100 g
Chol. Na K Ca Mg Fe Cu Zn Mn P Se mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ μg/ 100 g 100 g 100 g 100g 100 g 100 g 100 g 100 g 100 g 100 g 100 g
Candies, gumdrops, starch jelly pieces
396
98.9
0.0
0.0
0
44
5
3
1
0.40
0.012
0.00
0.010
1
0.8
Candies, hard
394
98.0
0.0
0.2
0
38
5
3
3
0.30
0.029
0.01
0.010
3
0.6
Candies, marshmallows
318
81.3
1.8
0.2
0
80
5
3
2
0.23
0.097
0.04
0.008
8
1.7
Candies, milk chocolate
535
59.4
7.7
29.7
23
79
372
189
63
2.35
0.491
2.01
0.471
208
4.5
Candies, milk chocolate w. almond bites
550
51.0
9.8
35.7
19
74
471
220
59
1.50
0.200
1.34
0.010
227
3.4
Candies, peanut brittle, prepared-from-recipe
486
71.2
7.6
19.0
12
445
168
27
42
1.22
0.254
0.87
0.593
106
2.6
Candies, semisweet chocolate
479
63.1
4.2
30.0
0
11
365
32
115
3.13
0.700
1.62
0.800
132
4.2
Candies, sweet chocolate
505
59.6
3.9
34.2
0
16
290
24
113
2.76
0.574
1.50
0.494
147
2.8
Candies, white chocolate
539
59.2
5.9
32.1
14
90
286
199
12
0.24
0.060
0.74
0.008
176
4.5
Capers, canned
23
4.9
2.4
0.9
0
2964
40
40
33
1.67
0.374
0.32
0.078
10
1.2
Carbonated beverage, cola, contains caffeine
37
9.6
0.1
0.0
0
4
2
2
0
0.11
0.001
0.02
0.002
10
0.1
Carbonated beverage, ginger ale
34
8.8
0.0
0.0
0
7
1
3
1
0.18
0.018
0.05
0.013
0
0.1
Carbonated beverage, orange
48
12.3
0.0
0.0
0
12
2
5
1
0.06
0.015
0.10
0.013
1
0.0
Carbonated beverage, root beer
41
10.6
0.0
0.0
0
13
1
5
1
0.05
0.007
0.07
0.013
0
0.1
Carbonated beverage, tonic water
34
8.8
0.0
0.0
0
12
0
1
0
0.01
0.006
0.10
0.001
0
0.0
Carrots, boiled, w/o salt
35
8.2
0.8
0.2
0
58
235
30
10
0.34
0.017
0.20
0.155
30
0.7
Carrots, raw
41
9.6
0.9
0.2
0
69
320
33
12
0.30
0.045
0.24
0.143
35
0.1
Cashew nuts, dry roasted, w. salt
574
32.7
15.3
46.4
0
640
565
45
260
6.00
2.220
5.60
0.826
490
11.7
Cashew nuts, oil roasted, w. salt
581
30.2
16.8
47.8
0
308
632
43
273
6.05
2.043
5.35
1.668
531
20.3
Cashew nuts, raw
553
30.2
18.2
43.9
0
12
660
37
292
6.68
2.195
5.78
1.655
593
19.9
Catfish, channel, farmed, cooked, dry heat
152
0.0
18.7
8.0
64
80
321
9
26
0.82
0.122
1.05
0.020
245
14.5
Catsup
97
25.1
1.7
0.4
0
1114
382
18
19
0.51
0.181
0.26
0.128
33
0.3
Cauliflower, boiled, w/o salt
23
4.1
1.8
0.5
0
15
142
16
9
0.33
0.027
0.18
0.138
32
0.5
Cauliflower, raw
25
5.3
2.0
0.1
0
30
303
22
15
0.44
0.042
0.28
0.156
44
0.6
Celery, raw
14
3.0
0.7
0.2
0
80
260
40
11
0.20
0.035
0.13
0.103
24
0.4
Cereals, corn grits, white, enriched, cooked w. water, w/o salt Chard, Swiss, boiled, w/o salt
59
12.9
1.4
0.2
0
2
21
3
5
0.60
0.018
0.07
0.018
11
3.1
20
4.1
1.9
0.1
0
179
549
58
86
2.26
0.163
0.33
0.334
33
0.9
Chard, Swiss, raw
19
3.7
1.8
0.2
0
213
379
51
81
1.80
0.179
0.36
0.366
46
0.9
Cheese, American cheddar, imitation
239
11.6
16.7
14.0
36
1345
242
562
29
0.33
0.033
2.59
712
15.2
Cheese, blue
353
2.3
21.4
28.7
75
1395
256
528
23
0.31
0.040
2.66
0.009
387
14.5
Cheese, brie
334
0.5
20.8
27.7
100
629
152
184
20
0.50
0.019
2.38
0.034
188
14.5
Cheese, camembert
300
0.5
19.8
24.3
72
842
187
388
20
0.33
0.021
2.38
0.038
347
14.5
Cheese, cheddar
403
1.3
24.9
33.1
105
621
98
721
28
0.68
0.031
3.11
0.010
512
13.9
Cheese, cheshire
387
4.8
23.4
30.6
103
700
95
643
21
0.21
0.042
2.79
0.012
464
14.5
Cheese, colby
394
2.6
23.8
32.1
95
604
127
685
26
0.76
0.042
3.07
0.012
457
14.5
Cheese, cottage, creamed, large or small curd
103
2.7
12.5
4.5
15
405
84
60
5
0.14
0.028
0.37
0.003
132
9.0
72
2.7
12.4
1.0
4
406
86
61
5
0.14
0.028
0.38
0.003
134
9.0
Cheese, cream
349
2.7
7.6
34.9
110
296
119
80
6
1.20
0.016
0.54
0.004
104
2.4
Cheese, cream, low fat
231
7.0
10.6
17.6
56
296
167
112
8
1.68
0.022
0.76
Cheese, edam
357
1.4
25.0
27.8
89
965
188
731
30
0.44
0.036
3.75
Cheese, feta
264
4.1
14.2
21.3
89
1116
62
493
19
0.65
0.032
2.88
0.028
337
15.0
Cheese, gouda
356
2.2
24.9
27.4
114
819
121
700
29
0.24
0.036
3.90
0.011
546
14.5
Cheese, gruyere
413
0.4
29.8
32.3
110
336
81
1011
36
0.17
0.032
3.90
0.017
605
14.5
Cheese, mozzarella, whole milk
300
2.2
22.2
22.4
79
627
76
505
20
0.44
0.011
2.92
0.030
354
17.0
Cheese, muenster
368
1.1
23.4
30.0
96
628
134
717
27
0.41
0.031
2.81
0.008
468
14.5
Cheese, parmesan, grated
431
4.1
38.5
28.6
88
1529
125
1109
38
0.90
0.238
3.87
0.085
729
17.7
Cheese, pimento
375
1.7
22.1
31.2
94
1428
162
614
22
0.42
0.033
2.98
0.016
744
14.5
Cheese, provolone
351
2.1
25.6
26.6
69
876
138
756
28
0.52
0.026
3.23
0.010
496
14.5
Cheese, Swiss
380
5.4
26.9
27.8
92
192
77
791
38
0.20
0.043
4.36
0.005
567
18.2
Cheese, tilsit
340
1.9
24.4
26.0
102
753
65
700
13
0.23
0.026
3.50
0.013
500
14.5
Cheesecake, commercially prepared
321
25.5
5.5
22.5
55
207
90
51
11
0.63
0.020
0.51
0.140
93
5.2
Cherries, sour, red, raw
50
12.2
1.0
0.3
0
3
173
16
9
0.32
0.104
0.10
0.112
15
0.0
Cherries, sweet, raw
63
16.0
1.1
0.2
0
0
222
13
11
0.36
0.060
0.07
0.070
21
0.0
Cheese, cottage, low fat, 1% milkfat
0.011
146
4.0
536
14.5
Nutrient Values of Foods
7-22
Food description
Energy kcal/ 100 g
Carb. Protein g/ g/ 100 g 100 g
Fat g/ 100 g
Chol. Na K Ca Mg Fe Cu Zn Mn P Se mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ μg/ 100 g 100 g 100 g 100g 100 g 100 g 100 g 100 g 100 g 100 g 100 g
Chestnuts, European, boiled & steamed
131
27.8
2.0
1.4
0
27
715
46
54
1.73
0.472
0.25
0.854
99
Chestnuts, European, roasted
245
53.0
3.2
2.2
0
2
592
29
33
0.91
0.507
0.57
1.180
107
1.2
Chicken, broilers or fryers, breast, meat & skin, fried Chicken, broilers or fryers, breast, meat & skin, roasted Chicken, broilers or fryers, breast, meat only, fried
222
1.6
31.8
8.9
89
76
259
16
30
1.19
0.057
1.10
0.026
233
23.9
197
0.0
29.8
7.8
84
71
245
14
27
1.07
0.050
1.02
0.018
214
24.7
187
0.5
33.4
4.7
91
79
276
16
31
1.14
0.054
1.08
0.021
246
26.2
Chicken, broilers or fryers, breast, meat only, roasted Chicken, broilers or fryers, dark meat, meat only, roasted Chicken, broilers or fryers, drumstick, meat & skin, fried Chicken, broilers or fryers, thigh, meat & skin, roasted Chicken, broilers or fryers, thigh, meat only, roasted Chicken, broilers or fryers, wing, meat & skin, fried Chicken, Cornish game hens, meat & skin, roasted
165
0.0
31.0
3.6
85
74
256
15
29
1.04
0.049
1.00
0.017
228
27.6
205
0.0
27.4
9.7
93
93
240
15
23
1.33
0.080
2.80
0.021
179
18.0
245
1.6
27.0
13.7
90
89
229
12
23
1.34
0.080
2.89
0.028
176
18.4
247
0.0
25.1
15.5
93
84
222
12
22
1.34
0.078
2.36
0.021
174
19.5
209
0.0
25.9
10.9
95
88
238
12
24
1.31
0.081
2.57
0.021
183
29.0
321
2.4
26.1
22.2
81
77
177
15
19
1.25
0.061
1.76
0.028
150
21.3
260
0.0
22.3
18.2
131
64
245
13
18
0.91
0.061
1.49
0.015
146
15.5
Chicken, Cornish game hens, meat only, roasted
134
0.0
23.3
3.9
106
63
250
13
19
0.77
0.059
1.53
0.015
149
20.8
Chickpeas, mature seeds, boiled, w/o salt
164
27.4
8.9
2.6
0
7
291
49
48
2.89
0.352
1.53
1.030
168
3.7
23
4.7
1.7
0.3
0
45
420
100
30
0.90
0.295
0.42
0.429
47
0.3
Chocolate syrup
279
65.1
2.1
1.1
0
72
224
14
65
2.11
0.512
0.73
0.382
129
2.7
Clam, mixed species, breaded & fried
202
10.3
14.2
11.2
61
364
326
63
14
13.91
0.356
1.46
0.540
188
28.9
Chicory greens, raw
Clam, mixed species, raw
74
2.6
12.8
1.0
34
56
314
46
9
13.98
0.344
1.37
0.500
169
24.3
Cocoa, dry powder, unsweetened
229
54.3
19.6
13.7
0
21
1524
128
499
13.86
3.788
6.81
3.837
734
14.3
Coconut meat, raw
354
15.2
3.3
33.5
0
20
356
14
32
2.43
0.435
1.10
1.500
113
10.1
Cod, Atlantic, cooked, dry heat
105
0.0
22.8
0.9
55
78
244
14
42
0.49
0.036
0.58
0.020
138
37.6
Cod, Atlantic, dried & salted
290
0.0
62.8
2.4
152
7027
1458
160
133
2.50
0.176
1.59
0.050
950
147.8
Coffee, brewed from grounds, prep w. tap h2o
1
0.0
0.1
0.0
0
2
49
2
3
0.01
0.002
0.02
0.023
3
0.0
Coffee, brewed, espresso, rest-prep
2
0.0
0.1
0.2
0
14
115
2
80
0.13
0.050
0.05
0.050
7
0.0
Coleslaw, home-prepared
69
12.4
1.3
2.6
8
23
181
45
10
0.59
0.023
0.20
0.097
32
0.7
Collards, boiled, w/o salt
26
4.9
2.1
0.4
0
16
116
140
20
1.16
0.038
0.23
0.436
30
0.5
Cookies, brownies, commercially prepared
405
63.9
4.8
16.3
17
312
149
29
31
2.25
0.224
0.72
0.128
101
6.3
Cookies, chocolate chip, commercially prepared, higher fat, unenriched Cookies, chocolate sandwich, w/creme filling
481
66.8
5.4
22.6
0
315
135
25
31
1.00
0.212
0.64
0.449
108
466
71.6
5.3
19.1
0
483
187
21
48
3.93
0.431
0.98
0.629
92
8.1
Cookies, fig bars
348
70.9
3.7
7.3
0
350
207
64
27
2.90
0.147
0.39
0.343
62
3.3
Cookies, gingersnaps
416
76.9
5.6
9.8
0
654
346
77
49
6.40
0.305
0.55
1.555
83
5.1
Cookies, graham crackers, plain or honey
423
76.8
6.9
10.1
0
605
135
24
30
3.73
0.202
0.81
0.804
104
10.2
Cookies, oatmeal, commercially prepared
450
68.7
6.2
18.1
0
383
142
37
33
2.58
0.134
0.79
0.839
138
9.8
Cookies, peanut butter sandwich, regular
478
65.6
8.8
21.1
0
368
192
53
49
2.60
0.237
1.06
0.912
188
7.7
Cookies, shortbread, commercially prepared, plain
502
64.5
6.1
24.1
20
455
100
35
17
2.74
0.144
0.53
0.428
108
7.3
Cookies, vanilla wafers, higher fat
473
71.1
4.3
19.4
0
306
107
25
12
2.21
0.124
0.33
0.384
64
11.3
Cookies, vanilla wafers, lower fat
441
73.6
5.0
15.2
51
312
97
48
14
2.38
0.100
0.36
0.262
104
11.3
Corn, sweet, white, boiled, w. salt
108
25.1
3.3
1.3
0
253
249
2
32
0.61
0.053
0.48
0.194
103
0.8
Corn, sweet, yellow, boiled, w. salt
108
25.1
3.3
1.3
0
253
249
2
32
0.61
0.053
0.48
0.194
103
0.2
Couscous, cooked
112
23.2
3.8
0.2
0
5
58
8
8
0.38
0.041
0.26
0.084
22
27.5
Cowpeas (black-eyed), immature seeds, boiled, w. salt Crab, Alaska king, cooked, moist heat
97
20.3
3.2
0.4
0
240
418
128
52
1.12
0.133
1.03
0.572
51
2.5
97
0.0
19.4
1.5
53
1072
262
59
63
0.76
1.182
7.62
0.040
280
40.0
Crab, Alaska king, raw
84
0.0
18.3
0.6
42
836
204
46
49
0.59
0.922
5.95
0.035
219
36.4
102
0.0
20.2
1.8
100
279
324
104
33
0.91
0.645
4.22
0.190
206
40.2
87
0.0
18.1
1.1
78
293
329
89
34
0.74
0.669
3.54
0.150
229
37.4
Crab, Dungeness, cooked, moist heat
110
1.0
22.3
1.2
76
378
408
59
58
0.43
0.734
5.47
0.097
175
47.6
Crackers, cheese, regular
503
58.2
10.1
25.3
13
995
145
151
36
4.77
0.210
1.13
0.629
218
8.6
Crackers, matzo, plain
395
83.7
10.0
1.4
0
2
112
13
25
3.16
0.060
0.68
0.650
89
36.9
Crackers, saltines (includes oyster, soda, soup)
428
70.9
9.2
11.4
0
1072
154
68
22
5.64
0.298
0.83
0.653
101
10.3
Crab, blue, cooked, moist heat Crab, blue, raw
Nutrient Values of Foods
Food description Crackers, wheat, regular
7-23 Energy kcal/ 100 g
Carb. Protein g/ g/ 100 g 100 g
Fat g/ 100 g
Chol. Na K Ca Mg Fe Cu Zn Mn P Se mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ μg/ 100 g 100 g 100 g 100g 100 g 100 g 100 g 100 g 100 g 100 g 100 g
473
64.9
8.6
20.6
0
795
183
49
62
4.40
0.318
1.60
1.781
220
6.3
Cranberries, raw
46
12.2
0.4
0.1
0
2
85
8
6
0.25
0.061
0.10
0.360
13
0.1
Cranberry juice, unsweetened
46
12.2
0.4
0.1
0
2
77
8
6
0.25
0.055
0.10
Crayfish, mixed species, farmed, cooked, moist heat Cream, fluid, half and half
87
0.0
17.5
1.3
137
97
238
51
33
1.11
0.580
1.48
0.217
130
4.3
3.0
11.5
37
41
130
105
10
0.07
0.010
0.51
0.001
95
1.8
59
9.0
2.6
1.4
5
144
206
96
16
0.00
0.016
0.81
0.002
151
2.9 2.2
Cream, half & half, fat free
13
0.1
241
34.2
Cream, sour, cultured
214
4.3
3.2
21.0
44
53
144
116
11
0.06
0.019
0.27
0.003
85
Cream, whipped, cream topping, pressurized
257
12.5
3.2
22.2
76
130
147
101
11
0.05
0.010
0.37
0.001
89
1.4
Croissants, butter
406
45.8
8.2
21.0
67
744
118
37
16
2.03
0.080
0.75
0.330
105
22.7
Croutons, plain
407
73.5
11.9
6.6
0
698
124
76
31
4.08
0.163
0.89
0.500
115
37.5
Cucumber, peeled, raw
12
2.2
0.6
0.2
0
2
136
14
12
0.22
0.071
0.17
0.073
21
0.1
Cucumber, with peel, raw
15
3.6
0.7
0.1
0
2
147
16
13
0.28
0.041
0.20
0.079
24
0.3
325
58.2
12.7
13.8
0
52
1543
478
254
29.59
0.815
4.05
4.289
349
17.1
Dandelion greens, boiled, w/o salt
33
6.4
2.0
0.6
0
44
232
140
24
1.80
0.115
0.28
0.230
42
0.3
Dandelion greens, raw
45
9.2
2.7
0.7
0
76
397
187
36
3.10
0.171
0.41
0.342
66
0.5
Duck, domesticated, meat & skin, roasted
337
0.0
19.0
28.4
84
59
204
11
16
2.70
0.227
1.86
0.019
156
20.0
Duck, domesticated, meat only, roasted
201
0.0
23.5
11.2
89
65
252
12
20
2.70
0.231
2.60
0.019
203
22.4
52
0.7
10.9
0.2
0
166
163
7
11
0.08
0.023
0.03
0.011
15
20.0
Egg, whole, fried
201
0.9
13.6
15.3
457
204
147
59
13
1.98
0.111
1.20
0.041
208
34.2
Egg, whole, hard-boiled
155
1.1
12.6
10.6
424
124
126
50
10
1.19
0.013
1.05
0.026
172
30.8
Egg, whole, poached
147
0.8
12.5
9.9
422
294
133
53
12
1.83
0.102
1.10
0.039
190
31.6
Egg, whole, scrambled
166
2.2
11.1
12.2
352
280
138
71
12
1.20
0.014
1.00
0.022
170
22.5
Egg, yolk, raw, fresh
322
3.6
15.9
26.5
1234
48
109
129
5
2.73
0.077
2.30
0.055
390
56.0
Eggplant, boiled, w/o salt
35
8.7
0.8
0.2
0
1
123
6
11
0.25
0.059
0.12
0.113
15
0.1
Eggplant, raw
24
5.7
1.0
0.2
0
2
230
9
14
0.24
0.082
0.16
0.250
25
0.3
Endive, raw
17
3.4
1.3
0.2
0
22
314
52
15
0.83
0.099
0.79
0.420
28
0.2
English muffins, whole-wheat, toasted
221
44.1
9.6
2.3
0
692
228
288
77
2.66
0.225
1.74
1.946
307
43.8
English, muffins, plain, toasted, enriched, w. calcium propanoate (includes sourdough) Fat, beef tallow
270
52.7
10.3
2.0
0
477
129
197
28
4.65
0.160
1.40
0.630
107
26.3
902
0.0
0.0
100.0
109
0
0
0
0
0.00
0.000
0.00
0
0.2
Fat, chicken
900
0.0
0.0
99.8
85
0
0
0
0
0.00
0.000
0.00
0
0.2
Fat, duck
900
0.0
0.0
99.8
100
0
0
0
0
0.00
0.000
0.00
0
0.2
Fat, goose
900
0.0
0.0
99.8
100
0
0
0
0
0.00
0.00
0
0.2
Fat, turkey
900
0.0
0.0
99.8
102
0
0
0
0
0.00
0.000
0.00
0
0.2
Fennel, bulb, raw
31
7.3
1.2
0.2
0
52
414
49
17
0.73
0.066
0.20
0.191
50
0.7
Figs, dried, stewed
107
27.6
1.4
0.4
0
4
294
70
29
0.88
0.124
0.24
0.220
29
0.2
74
19.2
0.8
0.3
0
1
232
35
17
0.37
0.070
0.15
0.128
14
0.2
Fish oil, cod liver
902
0.0
0.0
100.0
570
0
0
0
0
0.00
0.000
0.00
0.000
0
0.0
Frankfurter beef
330
4.1
11.2
29.6
53
1140
156
14
14
1.51
0.184
2.46
0.082
160
8.2
Frankfurter, chick
257
6.8
12.9
19.5
101
1370
84
95
10
2.00
0.050
1.04
0.015
107
18.4
Frankfurter, pork
269
0.3
12.8
23.7
66
816
264
267
15
3.70
0.074
2.09
0.016
171
27.8
Frankfurter, turkey
226
1.5
14.3
17.7
107
1426
179
106
14
1.84
0.100
3.11
0.016
134
15.4
Game meat, beaver, roasted
212
0.0
34.9
7.0
117
59
403
22
29
10.00
0.189
2.27
292
43.1
Game meat, beefalo, roasted
188
0.0
30.7
6.3
58
82
459
24
6.40
250
13.1
Game meat, bison, lean, roasted
143
0.0
28.4
2.4
82
57
361
8
26
3.42
0.107
3.68
0.008
209
35.5
Game meat, boar, wild, roasted
160
0.0
28.3
4.4
77
60
396
16
27
1.12
0.056
3.01
134
13.0
Game meat, deer, roasted
158
0.0
30.2
3.2
112
54
335
7
24
4.47
0.300
2.75
0.046
226
12.9
Game meat, elk, roasted
146
0.0
30.2
1.9
73
61
328
5
24
3.63
0.142
3.16
0.013
180
13.0
Game meat, moose, roasted
134
0.0
29.3
1.0
78
69
334
6
24
4.22
0.079
3.68
0.009
176
12.8
Game meat, rabbit, domesticated, roasted
197
0.0
29.1
8.1
82
47
383
19
21
2.27
0.189
2.27
0.032
263
38.5
Game meat, raccoon, roasted
255
0.0
29.2
14.5
97
79
398
14
30
7.10
0.189
2.27
Game meat, squirrel, roasted
173
0.0
30.8
4.7
121
119
352
3
28
6.81
0.148
1.78
Goose, domesticated, meat & skin, roasted
305
0.0
25.2
21.9
91
70
329
13
22
2.83
0.264
Goose, domesticated, meat only, roasted
238
0.0
29.0
12.7
96
76
388
14
25
2.87
0.276
Curry powder
Egg, white, raw, fresh
Figs, raw
3.05
261
18.0
0.032
211
15.1
2.62
0.023
270
21.8
3.17
0.024
309
25.5
Nutrient Values of Foods
7-24
Food description
Energy kcal/ 100 g
Carb. Protein g/ g/ 100 g 100 g
Fat g/ 100 g
Chol. Na K Ca Mg Fe Cu Zn Mn P Se mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ μg/ 100 g 100 g 100 g 100g 100 g 100 g 100 g 100 g 100 g 100 g 100 g
Goose, liver, raw
133
6.3
16.4
4.3
515
140
230
43
24
30.53
7.522
3.07
0.000
261
68.1
Gooseberries, raw
44
10.2
0.9
0.6
0
1
198
25
10
0.31
0.070
0.12
0.144
27
0.6
Grape juice, canned or bottled, unsweetened, w/o vitamin C Grapefruit juice, white, canned, unsweetened
61
15.0
0.6
0.1
0
3
132
9
10
0.24
0.028
0.05
0.360
11
0.1
38
9.0
0.5
0.1
0
1
153
7
10
0.20
0.038
0.09
0.020
11
0.1
Grapefruit, raw, pink & red, all areas
42
10.7
0.8
0.1
0
0
135
22
9
0.08
0.032
0.07
0.022
18
0.1
Grapefruit, raw, white, all areas
33
8.4
0.7
0.1
0
0
148
12
9
0.06
0.050
0.07
0.013
8
1.4
Grapes, American type (slip skin), raw
67
17.2
0.6
0.4
0
2
191
14
5
0.29
0.040
0.04
0.718
10
0.1
Grouper, mixed species, cooked, dry heat
118
0.0
24.8
1.3
47
53
475
21
37
1.14
0.045
0.51
0.012
143
46.8
Haddock, cooked, dry heat
112
0.0
24.2
0.9
74
87
399
42
50
1.35
0.033
0.48
0.030
241
40.5
Haddock, smoked
116
0.0
25.2
1.0
77
763
415
49
54
1.40
0.042
0.50
0.030
251
42.9
Halibut, Atlantic & Pacific, cooked, dry heat
140
0.0
26.7
2.9
41
69
576
60
107
1.07
0.035
0.53
0.020
285
46.8
Ham, sliced, regular (approx 11% fat)
163
3.8
16.6
8.6
57
1304
287
24
22
1.02
0.089
1.35
0.557
153
20.7
Herring, Atlantic, kippered
217
0.0
24.6
12.4
82
918
447
84
46
1.51
0.135
1.36
0.050
325
52.6
72
14.3
1.5
0.9
0
210
9
10
16
0.62
0.030
1.05
0.070
35
3.0
Hummus, commercial
166
14.3
7.9
9.6
0
379
228
38
71
2.44
0.527
1.83
0.773
176
2.6
Ice creams, chocolate
216
28.2
3.8
11.0
34
76
249
109
29
0.93
0.135
0.58
0.140
107
2.5
Ice creams, French vanilla, soft-serve
222
22.2
4.1
13.0
91
61
177
131
12
0.21
0.030
0.52
0.005
116
3.0
Ice creams, strawberry
192
27.6
3.2
8.4
29
60
188
120
14
0.21
0.037
0.34
0.078
100
1.9
Ice creams, vanilla
201
23.6
3.5
11.0
44
80
199
128
14
0.09
0.023
0.69
0.008
105
1.8
Jams and preserves
278
68.9
0.4
0.1
0
32
77
20
4
0.49
0.100
0.06
0.040
19
2.0
Jellies
266
70.0
0.2
0.0
0
30
54
7
6
0.19
0.011
0.03
0.132
6
0.4
Kale, boiled, w/o salt
28
5.6
1.9
0.4
0
23
228
72
18
0.90
0.156
0.24
0.416
28
0.9
Kale, raw
50
10.0
3.3
0.7
0
43
447
135
34
1.70
0.290
0.44
0.774
56
0.9
Kiwi fruit, (Chinese gooseberries), fresh, raw
61
14.7
1.1
0.5
0
3
312
34
17
0.31
0.130
0.14
0.098
34
0.2
307
3.2
11.1
27.7
60
930
199
11
11
0.66
0.060
1.66
0.021
98
13.5
Hominy, canned, white or yellow
Knockwurst, pork or beef Kumquats, raw
71
15.9
1.9
0.9
0
10
186
62
20
0.86
0.095
0.17
0.135
19
0.0
294
0.0
24.5
20.9
97
72
310
17
23
1.88
0.119
4.46
0.022
188
26.4
271
0.0
25.5
18.0
96
72
318
16
24
1.93
0.121
4.74
0.024
193
27.2
206
0.0
28.2
9.5
92
76
344
15
26
2.05
0.128
5.27
0.028
210
26.1
217
0.0
26.7
11.4
90
65
329
9
25
1.99
0.118
4.72
0.026
200
29.7
309
0.0
22.6
23.6
95
64
246
18
23
2.12
0.119
3.41
0.020
180
24.6
341
0.0
21.8
27.5
96
74
277
22
20
1.62
0.117
3.62
0.021
170
22.3
283
0.0
24.8
19.7
97
81
339
22
24
1.79
0.128
4.67
0.024
201
27.7
902
0.0
0.0
100.0
95
0
0
0
0
0.00
0.000
0.11
0.000
0
0.2
Leeks, (bulb & lower leaf-portion), boiled, w/o salt
31
7.6
0.8
0.2
0
10
87
30
14
1.10
0.062
0.06
0.247
17
0.5
Lemon juice, canned or bottled
21
6.5
0.4
0.3
0
21
102
11
8
0.13
0.037
0.06
0.020
9
0.1
Lemons, raw, with peel
20
10.7
1.2
0.3
0
3
145
61
12
0.70
0.260
0.10
Lamb, domestic, composite of retail cuts, lean & fat, 1/4” fat, choice, cooked Lamb, domestic, composite of retail cuts, lean & fat, 1/8” fat, choice, cooked Lamb, domestic, composite of retail cuts, lean, 1/4” fat, choice, cooked Lamb, domestic, leg, shank half, lean & fat, 1/8” fat, choice, roasted Lamb, domestic, loin, lean & fat, 1/4” fat, choice, roasted Lamb, domestic, rib, lean & fat, 1/8” fat, choice, roasted Lamb, ground, broiled Lard
Lemons, raw, without peel
15
29
9.3
1.1
0.3
0
2
138
26
8
0.60
0.037
0.06
0.030
16
0.4
Lentils, mature seeds, boiled, w. salt
116
20.1
9.0
0.4
0
238
369
19
36
3.33
0.251
1.27
0.494
180
2.8
Lentils, sprouted, stir-fried, w. salt
0.6
101
21.3
8.8
0.5
0
246
284
14
35
3.10
0.337
1.60
0.502
153
Lettuce, iceberg (includes crisp head types), raw
14
3.0
0.9
0.1
0
10
141
18
7
0.41
0.025
0.15
0.125
20
0.1
Lettuce, romaine, raw
17
3.3
1.2
0.3
0
8
247
33
14
0.97
0.048
0.23
0.155
30
0.4
Lima beans, large, mature seeds, boiled, w/o salt
115
20.9
7.8
0.4
0
2
508
17
43
2.39
0.235
0.95
0.516
111
4.5
Lima beans, thin seeded (baby), mature seeds, boiled, w/o salt Limes, raw
126
23.3
8.0
0.4
0
3
401
29
53
2.40
0.215
1.03
0.585
127
4.9
30
10.5
0.7
0.2
0
2
102
33
6
0.60
0.065
0.11
0.008
18
0.4
Liverwurst spread
305
5.9
12.4
25.5
118
700
170
22
12
8.85
0.240
2.30
0.155
230
58.0 42.7
Lobster, northern, cooked, moist heat
98
1.3
20.5
0.6
72
380
352
61
35
0.39
1.940
2.92
0.061
185
Macadamia nuts, dry roasted, w/o salt
718
13.4
7.8
76.1
0
4
363
70
118
2.65
0.570
1.29
3.036
198
3.6
Macaroni, cooked, enriched
158
30.9
5.8
0.9
0
1
45
7
18
1.33
0.103
0.50
0.317
58
26.4
Mackerel, Atlantic, cooked, dry heat
262
0.0
23.9
17.8
75
83
401
15
97
1.57
0.094
0.94
0.020
278
51.6
Nutrient Values of Foods
Food description
7-25 Energy kcal/ 100 g
Carb. Protein g/ g/ 100 g 100 g
Fat g/ 100 g
Chol. Na K Ca Mg Fe Cu Zn Mn P Se mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ μg/ 100 g 100 g 100 g 100g 100 g 100 g 100 g 100 g 100 g 100 g 100 g
Mackerel, king, cooked, dry heat
134
0.0
26.0
2.6
68
203
558
40
41
2.28
0.033
0.72
0.006
318
46.8
Mackerel, Pacific & jack, mixed species, cooked, dry heat Mackerel, salted
201
0.0
25.7
10.1
60
110
521
29
36
1.49
0.119
0.86
0.019
160
46.8
305
0.0
18.5
25.1
95
4450
520
66
60
1.40
0.100
1.10
254
73.4
Mackerel, Spanish, cooked, dry heat
158
0.0
23.6
6.3
73
66
554
13
38
0.74
0.065
0.62
0.012
271
40.6
0.110
0.04
0.027
11
0.6
23
0.0
0.00
23
0.0 0.0
Mangos, raw
65
17.0
0.5
0.3
0
2
156
10
9
0.13
Margarine, regular, hard, corn (hydrogenated)
719
0.9
0.9
80.5
0
943
42
30
3
0.00
Margarine, regular, hard, soybean (hydrogenated) & palm (hydrogenated) Margarine, regular, stick, unsalted, 80% fat
719
0.9
0.9
80.5
0
943
42
30
3
0.00
719
0.9
0.9
80.5
0
2
25
17
2
0.00
0.000
0.00
13
Margarine, regular, tub, unsalted, 80% fat
716
0.5
0.8
80.4
0
28
38
26
2
0.00
0.000
0.00
20
0.0
Marmalade, orange
246
66.3
0.3
0.0
0
56
37
38
2
0.15
0.090
0.04
4
0.6
Mayonnaise dressing, no cholesterol
688
0.3
0.0
77.8
0
486
14
7
1
0.23
0.000
0.13
25
1.6
Mayonnaise, low sodium, diet
231
16.0
0.3
19.2
24
110
10
0
0
0.00
0.000
0.11
0.000
0
1.6
Melons, honeydew, raw
36
9.1
0.5
0.1
0
18
228
6
10
0.17
0.024
0.09
0.027
11
0.7
Milk, buttermilk, fluid, cultured, reduced fat
56
5.3
4.1
2.0
8
86
180
143
13
0.06
0.008
0.24
Milk, goat, fluid
69
4.5
3.6
4.1
11
50
204
134
14
0.05
0.046
0.30
Milk, low fat, fluid, 1% milkfat, w. vitamin A
42
5.0
3.4
1.0
5
44
150
119
11
0.03
0.010
Milk, low sodium, fluid
61
4.5
3.1
3.5
14
3
253
101
5
0.05
0.010
Milk, reduced fat, fluid, 2% milkfat, w. added vitamin A Muffins, blueberry, commercially prepared
50
4.7
3.3
2.0
8
41
150
117
11
0.03
277
48.0
5.5
6.5
30
447
123
57
16
Muffins, corn, commercially prepared
305
50.9
5.9
8.4
26
521
69
74
32
Muffins, oat bran
270
48.3
7.0
7.4
0
393
507
63
Mullet, striped, cooked, dry heat
150
0.0
24.8
4.9
63
71
458
Mushrooms, boiled, w/o salt
28
5.3
2.2
0.5
0
2
Mushrooms, oyster, raw
35
6.4
3.3
0.4
0
Mushrooms, portabella, grilled
35
5.1
4.1
0.8
Mushrooms, raw
22
3.3
3.1
Mushrooms, shiitake, cooked, w/o salt
56
14.4
1.6
Mussels, blue, cooked, moist heat
0.020
82
2.3
0.018
111
1.4
0.42
0.003
95
3.3
0.38
0.004
86
2.0
0.012
0.43
0.003
94
2.5
1.61
0.074
0.49
0.440
197
11.2
2.81
0.299
0.54
0.355
284
15.2
157
4.20
0.330
1.84
2.630
376
11.0
31
33
1.41
0.141
0.88
0.022
244
46.8
356
6
12
1.74
0.504
0.87
0.115
87
11.9
18
420
3
18
1.33
0.244
0.77
0.113
120
2.6
0
10
521
4
15
0.56
0.499
0.73
0.075
150
17.7
0.3
0
5
318
3
9
0.50
0.318
0.52
0.047
86
9.3
0.2
0
4
117
3
14
0.44
0.896
1.33
0.204
29
24.8
172
7.4
23.8
4.5
56
369
268
33
37
6.72
0.149
2.67
6.800
285
89.6
Mussels, blue, raw
86
3.7
11.9
2.2
28
286
320
26
34
3.95
0.094
1.60
3.400
197
44.8
Mustard greens, boiled, w/o salt
15
2.1
2.3
0.2
0
16
202
74
15
0.70
0.084
0.11
0.274
41
0.6
Nectarines, raw
44
10.6
1.1
0.3
0
0
201
6
9
0.28
0.086
0.17
0.054
26
0.0
138
25.2
4.5
2.1
29
165
38
12
21
1.47
0.098
0.65
0.315
76
23.9
Noodles, egg, cooked, enriched, w. salt Noodles, Japanese, soba, cooked
99
21.4
5.1
0.1
0
60
35
4
9
0.48
0.008
0.12
0.374
25
Nutmeg, ground
525
49.3
5.8
36.3
0
16
350
184
183
3.04
1.027
2.15
2.900
213
1.6
Ocean perch, Atlantic, cooked, dry heat
121
0.0
23.9
2.1
54
96
350
137
39
1.18
0.033
0.61
0.020
277
55.5
Oil, avocado
884
0.0
0.0
100.0
0
0
0
0
0.00
0.000
0.00
0.000
0
0.0
Oil, canola
884
0.0
0.0
100.0
0
0
0
0
0
0.00
0.000
0.00
0.000
0
0.0
Oil, canola and soybean
884
0.0
0.0
100.0
0
0
0
0
0
0.00
0.000
0.00
0
0.0
Oil, coconut
862
0.0
0.0
100.0
0
0
0
0
0
0.04
0.000
0.00
0.000
0
0.0
Oil, corn and canola
884
0.0
0.0
100.0
0
0
0
0
0
0.00
0.000
0.00
0
0.0
Oil, mustard
884
0.0
0.0
100.0
0
0
0
0
0.00
0.000
0.00
0.000
0
0.0
Oil, olive, salad or cooking
884
0.0
0.0
100.0
0
2
1
1
0
0.56
0.000
0.00
0.000
0
0.0
Oil, palm
884
0.0
0.0
100.0
0
0
0
0
0
0.01
0.000
0.00
Oil, palm kernel
862
0.0
0.0
100.0
0
0
0
0
0
0.00
0.000
0.00
Oil, peanut, salad or cooking
884
0.0
0.0
100.0
0
0
0
0
0
0.03
0.000
Oil, safflower, salad or cooking, linoleic >70%
884
0.0
0.0
100.0
0
0
0
0
0
0.00
0.000
Oil, safflower, salad or cooking, oleic >70%
884
0.0
0.0
100.0
0
0
0
0
0
0.00
0.000
0.00
Oil, sesame, salad or cooking
884
0.0
0.0
100.0
0
0
0
0
0
0.00
0.000
0.00
Oil, soybean lecithin
763
0.0
0.0
100.0
0
0
0
0
0
0.00
0.000
0.00
Oil, soybean, salad or cooking
884
0.0
0.0
100.0
0
0
0
0
0
0.02
0.000
Oil, sunflower, linoleic, approx. 65%
884
0.0
0.0
100.0
0
0
0
0
0
0.00
0.000
22
4.6
1.9
0.2
0
6
135
77
36
0.28
0.085
0.43
Okra, boiled, w/o salt
0
0.0
0
0.0
0.01
0
0.0
0.00
0
0.0
0.000
0
0.0
0
0.0
0.000
0
0.0
0.00
0
0.0
0.00
0
0.0
32
0.4
0.000
0.294
Nutrient Values of Foods
7-26
Food description
Energy kcal/ 100 g
Carb. Protein g/ g/ 100 g 100 g
Fat g/ 100 g
Chol. Na K Ca Mg Fe Cu Zn Mn P Se mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ μg/ 100 g 100 g 100 g 100g 100 g 100 g 100 g 100 g 100 g 100 g 100 g
Olives, pickled, canned or bottled, green
145
3.8
1.0
15.3
0
1556
42
52
11
0.49
0.120
0.04
4
0.9
Olives, ripe, canned (small-extra large)
115
6.3
0.8
10.7
0
872
8
88
4
3.30
0.251
0.22
0.020
3
0.9
Onions, boiled, w/o salt
44
10.2
1.4
0.2
0
3
166
22
11
0.24
0.067
0.21
0.153
35
0.6
Onions, raw
42
10.1
0.9
0.1
0
3
144
22
10
0.19
0.038
0.16
0.132
27
0.5
Orange juice, includes from concentrate
44
10.1
0.8
0.3
0
1
190
10
11
0.17
0.040
0.04
0.023
11
0.1
Oranges, raw, all commercial varieties
47
11.8
0.9
0.1
0
0
181
40
10
0.10
0.045
0.07
0.025
14
0.5
Oranges, raw, California, Valencias
49
11.9
1.0
0.3
0
0
179
40
10
0.09
0.037
0.06
0.023
17
Oranges, raw, Florida
46
11.5
0.7
0.2
0
0
169
43
10
0.09
0.039
0.08
0.024
12
Oranges, raw, navels
49
12.5
0.9
0.2
0
1
166
43
11
0.13
0.039
0.08
0.029
23
0.0
Ostrich, ground, cooked, pan-broiled
175
0.0
26.2
7.1
83
80
323
8
23
3.43
0.136
4.33
0.017
224
33.5
Ostrich, inside leg, cooked
141
0.0
29.0
1.9
73
83
352
6
25
3.12
0.148
4.71
0.018
244
36.5
Ostrich, top loin, cooked
155
0.0
28.1
3.9
93
77
353
6
25
3.31
0.148
4.72
0.018
245
36.6
Oyster, eastern, breaded & fried
197
11.6
8.8
12.6
81
417
244
62
58
6.95
4.294
87.13
0.490
159
66.5
Oyster, eastern, farmed, raw
59
5.5
5.2
1.6
25
178
124
44
33
5.78
0.738
37.92
0.394
93
63.7
Oyster, eastern, wild, raw
68
3.9
7.1
2.5
53
211
156
45
47
6.66
4.452
90.81
0.367
135
63.7
163
9.9
18.9
4.6
100
212
302
16
44
9.20
2.679
33.24
1.222
243
154.0
81
5.0
9.5
2.3
50
106
168
8
22
5.11
1.576
16.62
0.643
162
77.0
115
25.6
2.7
0.2
0
14
1806
18
10
1.69
0.644
3.73
Papayas, raw
39
9.8
0.6
0.1
0
3
257
24
10
0.10
0.016
0.07
0.011
Parsley, raw
36
6.3
3.0
0.8
0
56
554
138
50
6.20
0.149
1.07
0.160
58
0.1
Pastrami beef 98% fat-free
95
1.5
19.6
1.2
47
1010
228
9
18
2.78
0.079
4.26
0.013
150
10.4
Pate de foie gras, canned, smoked
462
4.7
11.4
43.8
150
697
138
70
13
5.50
0.400
0.92
0.120
200
44.0
Pate, liver, not specified, canned
319
1.5
14.2
28.0
255
697
138
70
13
5.50
0.400
2.85
0.120
200
41.6
39
9.5
0.9
0.3
0
0
190
6
9
0.25
0.068
0.17
0.061
20
0.1
Peanut butter, chunk style, w/o salt
589
21.6
24.1
49.9
0
17
745
45
160
1.90
0.578
2.79
1.800
319
8.2
Peanut butter, smooth style, w/o salt
588
19.6
25.1
50.4
0
17
649
43
154
1.87
0.473
2.91
1.466
358
5.6
Peanuts, all types, dry-roasted, w. salt
585
21.5
23.7
49.7
0
813
658
54
176
2.26
0.671
3.31
2.083
358
7.5
Peanuts, all types, oil-roasted, w. salt
599
15.3
28.0
52.5
0
320
726
61
176
1.52
0.533
3.28
1.845
397
3.3
Pears, raw
58
15.5
0.4
0.1
0
1
119
9
7
0.17
0.082
0.10
0.049
11
0.1
Peas, edible-podded, boiled, w. salt
42
7.1
3.3
0.2
0
240
240
42
26
1.97
0.077
0.37
0.168
55
0.7
Peas, edible-podded, raw
42
7.6
2.8
0.2
0
4
200
43
24
2.08
0.079
0.27
0.244
53
0.7
Peas, green, boiled, w/o salt
84
15.6
5.4
0.2
0
3
271
27
39
1.54
0.173
1.19
0.525
117
1.9
Pecans, dry roasted, w. salt
710
13.6
9.5
74.3
0
383
424
72
132
2.80
1.167
5.07
3.933
293
4.0
Pecans, oil roasted, w. salt
715
13.0
9.2
75.2
0
393
392
67
121
2.47
1.200
4.47
3.700
263
6.0
Peppers, hot chili, green, raw
40
9.5
2.0
0.2
0
7
340
18
25
1.20
0.174
0.30
0.237
46
0.5
Peppers, hot chili, red, raw
40
8.8
1.9
0.4
0
9
322
14
23
1.03
0.129
0.26
0.187
43
0.5
Peppers, jalapeno, raw
30
5.9
1.4
0.6
0
1
215
10
19
0.70
0.133
0.23
0.250
31
0.3
Peppers, sweet, green, boiled, w/o salt
28
6.7
0.9
0.2
0
2
166
9
10
0.46
0.065
0.12
0.115
18
0.3
Peppers, sweet, green, raw
20
4.6
0.9
0.2
0
3
175
10
10
0.34
0.066
0.13
0.122
20
0.0
Peppers, sweet, red, boiled, w/o salt
28
6.7
0.9
0.2
0
2
166
9
10
0.46
0.065
0.12
0.115
18
0.3
Peppers, sweet, red, raw
26
6.0
1.0
0.3
0
2
211
7
12
0.43
0.017
0.25
0.112
26
0.1
Peppers, sweet, yellow, raw
27
6.3
1.0
0.2
0
2
212
11
12
0.46
0.107
0.17
0.117
24
0.3
Persimmons, native, raw
127
33.5
0.8
0.4
0
1
310
27
Pheasant, cooked, total edible
Oyster, Pacific, cooked, moist heat Oyster, Pacific, raw Palm hearts, raw
Peaches, raw
2.50
0.5
140
0.7
5
0.6
26
247
0.0
32.4
12.1
89
43
271
16
22
1.43
0.084
1.37
242
20.7
Pickle, cucumber, sour
11
2.3
0.3
0.2
0
1208
23
0
4
0.40
0.085
0.02
0.011
14
0.0
Pickle, cucumber, sweet
117
31.8
0.4
0.3
0
939
32
4
4
0.59
0.105
0.08
0.015
12
0.0
Pickles, cucumber, dill
18
4.1
0.6
0.2
0
1282
116
9
11
0.53
0.079
0.14
0.015
21
0.0
Pie, apple, commercially prepared, enriched flour
237
34.0
1.9
11.0
0
266
65
11
7
0.45
0.046
0.16
0.182
24
1.0
Pie, blueberry, commercially prepared
232
34.9
1.8
10.0
0
325
50
8
5
0.30
0.046
0.16
0.176
23
1.4
Pie, cherry, commercially prepared
260
39.8
2.0
11.0
0
246
81
12
8
0.48
0.040
0.18
0.140
29
1.2
Pie, chocolate creme, commercially prepared
304
33.6
2.6
19.4
5
136
127
36
21
1.07
0.050
0.23
0.200
68
7.5
Pie, coconut creme, commercially prepared
298
37.2
2.1
16.6
0
255
65
29
20
0.80
0.068
0.47
0.438
85
5.3
Pie, egg custard, commercially prepared
210
20.8
5.5
11.6
33
240
106
80
11
0.58
0.024
0.52
0.060
112
7.1
Pie, lemon meringue, commercially prepared
268
47.2
1.5
8.7
45
146
89
56
15
0.61
0.001
0.49
0.060
105
3.0
Nutrient Values of Foods
Food description
7-27 Energy kcal/ 100 g
Carb. Protein g/ g/ 100 g 100 g
Fat g/ 100 g
Chol. Na K Ca Mg Fe Cu Zn Mn P Se mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ μg/ 100 g 100 g 100 g 100g 100 g 100 g 100 g 100 g 100 g 100 g 100 g
Pie, mince, prepared from recipe
289
48.0
2.6
10.8
0
254
203
22
14
1.49
0.113
0.22
0.263
42
Pie, peach
223
32.9
1.9
10.0
0
270
125
8
6
0.50
0.053
0.09
0.152
22
1.3
Pie, pecan, commercially prepared
400
57.2
4.0
18.5
32
424
74
17
18
1.04
0.195
0.57
0.789
77
5.0
Pie, pumpkin, commercially prepared
210
27.3
3.9
9.5
20
282
154
60
15
0.79
0.048
0.45
0.240
71
2.6
Pike, northern, cooked, dry heat
113
0.0
24.7
0.9
50
49
331
73
40
0.71
0.065
0.86
0.310
282
16.2
Pike, walleye, raw
93
0.0
19.1
1.2
86
51
389
110
30
1.30
0.178
0.62
0.800
210
12.6
Pimento, canned
23
5.1
1.1
0.3
0
14
158
6
6
1.68
0.049
0.19
0.092
17
0.2
629
19.3
11.6
61.0
0
72
628
8
234
3.06
1.035
4.28
4.333
35
Pineapple juice, canned, unsweetened, w/o vitamin C Pineapple, raw, all variety
53
12.9
0.4
0.1
0
2
130
13
12
0.31
0.069
0.11
0.504
8
48
12.6
0.5
0.1
0
Pineapple, raw, traditional variety
45
11.8
0.6
0.1
Pistachio nuts, dry roasted, w/o salt
571
27.7
21.4
46.0
Plantains, cooked
116
31.2
0.8
0.2
Plums, dried (prunes), uncooked
240
63.9
2.2
0.4
Pine nuts, pinyon, dried
Plums, raw
6.6
0.1
1
115
13
12
0.28
0.099
0.10
1.177
8
0.1
1
125
13
12
0.25
0.081
0.08
1.593
9
0.0
0
10
1042
110
120
4.20
1.325
2.30
1.275
485
9.3
0
5
465
2
32
0.58
0.066
0.13
0
2
732
43
41
0.93
0.281
0.44
0.299
28
1.4
69
0.3
46
11.4
0.7
0.3
0
0
157
6
7
0.17
0.057
0.10
0.052
16
0.0
Pollock, Atlantic, cooked, dry heat
118
0.0
24.9
1.3
91
110
456
77
86
0.59
0.064
0.60
0.019
283
46.8
Pollock, walleye, cooked, dry heat
113
0.0
23.5
1.1
96
116
387
6
73
0.28
0.055
0.60
0.020
482
43.4
68
17.2
1.0
0.3
0
3
259
3
3
0.30
0.070
0.12
Pompano, Florida, cooked, dry heat
211
0.0
23.7
12.1
64
76
636
43
31
0.67
0.078
0.69
Popcorn, air-popped
387
77.8
12.9
4.5
0
8
329
7
144
3.19
0.262
Pork sausage, fresh, cooked
339
0.0
19.4
28.4
84
749
294
13
17
1.36
0.086
Pork, cured, bacon, broiled, pan-fried or roasted
541
1.4
37.0
41.8
110
2310
565
11
33
1.44
0.164
Pork, cured, breakfast strips, cooked
459
1.1
29.0
36.7
105
2099
466
14
26
1.97
Pork, cured, Canadian-style bacon, grilled
185
1.4
24.2
8.4
58
1546
390
10
21
0.82
Pork, cured, ham, boneless, extra lean (approx 5% fat), roasted Pork, cured, ham, boneless, regular (approx 11% fat), roasted Pork, cured, ham, whole, lean & fat, roasted
145
1.5
20.9
5.5
53
1203
287
8
14
178
0.0
22.6
9.0
59
1500
409
8
243
0.0
21.6
16.8
62
1187
286
Pork, cured, salt pork, raw
748
0.0
5.1
80.5
86
1424
66
Pork, fresh, composite of retail cuts (leg, loin, & shoulder), lean, cooked Pork, fresh, leg (ham), rump half, lean & fat, roasted Pork, fresh, leg (ham), shank half, lean & fat, roasted Pork, fresh, loin, blade (chops), bone-in, lean & fat, broiled Pork, fresh, loin, center loin (chops), bone-in, lean & fat, broiled Pork, fresh, loin, center rib (chops), bone-in, lean, broiled Pork, fresh, loin, center rib (chops), boneless, lean & fat, broiled Pork, fresh, loin, center rib (roasts), boneless, lean & fat, roasted Pork, fresh, loin, country-style ribs, lean & fat, braised Pork, fresh, loin, sirloin (chops), bone-in, lean & fat, broiled Pork, fresh, loin, sirloin (chops), boneless, lean & fat, broiled Pork, fresh, loin, tenderloin, lean & fat, broiled
212
0.0
29.3
9.7
86
59
375
252
0.0
28.9
14.3
96
62
289
0.0
25.3
20.1
92
320
0.0
22.5
24.9
240
0.0
28.7
219
0.0
260
Pomegranates, raw
8
0.6
0.025
341
46.8
3.08
1.113
358
0.0
2.08
0.005
163
0.0
3.50
0.022
533
62.0
0.153
3.68
0.044
265
24.7
0.054
1.70
0.027
296
24.7
1.48
0.079
2.88
0.054
196
19.5
22
1.34
0.145
2.47
0.041
281
19.8
7
19
0.87
0.083
2.32
0.014
214
22.7
6
7
0.44
0.050
0.90
0.005
52
5.8
21
26
1.10
0.061
2.97
0.018
237
45.0
374
12
27
1.05
0.103
2.82
0.023
272
46.8
59
338
15
22
0.98
0.098
3.06
0.028
257
43.3
86
70
344
29
22
0.93
0.083
3.37
0.008
212
37.1
13.1
82
58
358
33
25
0.80
0.046
2.26
0.003
232
44.3
30.8
9.7
81
65
420
31
28
0.82
0.070
2.38
0.020
245
47.3
0.0
27.6
15.8
82
62
401
28
26
0.77
0.068
2.26
0.018
237
44.0
252
0.0
27.0
15.2
81
48
346
6
22
0.93
0.016
2.64
0.010
214
40.3
296
0.0
23.9
21.5
87
59
328
29
17
1.22
0.093
3.56
0.012
167
39.7
259
0.0
26.7
16.1
86
68
383
17
29
0.99
0.058
2.57
0.010
246
47.7
208
0.0
30.5
8.6
91
56
372
18
27
1.21
0.053
2.62
0.003
243
50.5
201
0.0
29.9
8.1
94
64
444
5
35
1.39
0.067
2.89
0.012
290
47.7
Pork, fresh, spareribs, lean & fat, braised
397
0.0
29.1
30.3
121
93
320
47
24
1.85
0.142
4.60
0.014
261
37.4
Potato chips, plain, salted
547
49.7
6.6
37.5
0
525
1642
24
70
1.61
0.398
2.39
0.664
155
8.1
Potatoes, baked, flesh & skin, w. salt
93
21.2
2.5
0.1
0
244
535
15
28
1.08
0.118
0.36
0.219
70
0.4
Potatoes, boiled in skin, flesh, w. salt
87
20.1
1.9
0.1
0
240
379
5
22
0.31
0.188
0.30
0.138
44
0.3
Potatoes, boiled w/o skin, flesh, w. salt
86
20.0
1.7
0.1
0
241
328
8
20
0.31
0.167
0.27
0.140
40
0.3
Potatoes, French fried, all types, frozen, oven-heated
172
28.7
2.7
5.2
0
32
451
12
26
0.74
0.135
0.38
0.210
97
0.2
Nutrient Values of Foods
7-28
Food description
Energy kcal/ 100 g
Carb. Protein g/ g/ 100 g 100 g
Fat g/ 100 g
Chol. Na K Ca Mg Fe Cu Zn Mn P Se mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ μg/ 100 g 100 g 100 g 100g 100 g 100 g 100 g 100 g 100 g 100 g 100 g
Potatoes, hashed brown, home-prepared
265
35.1
3.0
12.5
0
342
576
14
35
0.55
0.293
0.47
0.247
70
0.5
Potatoes, mashed, home-prepared, whole milk & margarine added Potatoes, red, flesh & skin, baked
113
16.9
2.0
4.2
1
333
328
22
19
0.26
0.153
0.30
0.112
49
0.8
89
19.6
2.3
0.2
0
8
545
9
28
0.70
0.174
0.40
0.173
72
0.5
94
21.1
2.1
0.2
0
7
544
10
27
0.64
0.127
0.35
0.189
75
0.5
Pretzels, hard, plain, salted
380
79.8
10.3
2.6
0
1357
146
18
29
5.20
0.264
1.43
1.789
113
6.0
Prunes, dehydrated (low-moisture), stewed
113
29.7
1.2
0.2
0
2
353
24
21
1.17
0.204
0.25
0.104
37
Pumpkin, boiled, w/o salt
20
4.9
0.7
0.1
0
1
230
15
9
0.57
0.091
0.23
0.089
30
0.2
Pumpkin, raw
26
6.5
1.0
0.1
0
1
340
21
12
0.80
0.127
0.32
0.125
44
0.3 21.8
Potatoes, white, flesh & skin, baked
Quail, cooked, total edible
234
0.0
25.1
14.1
86
52
216
15
22
4.43
0.592
3.10
279
Quinces, raw
57
15.3
0.4
0.1
0
4
197
11
8
0.70
0.130
0.04
17
0.6
Radicchio, raw
23
4.5
1.4
0.3
0
22
302
19
13
0.57
0.341
0.62
0.138
40
0.9
Radishes, raw
16
3.4
0.7
0.1
0
39
233
25
10
0.34
0.050
0.28
0.069
20
0.6
Raisins, golden seedless
302
79.5
3.4
0.5
0
12
746
53
35
1.79
0.363
0.32
0.308
115
0.7
Raisins, seeded
296
78.5
2.5
0.5
0
28
825
28
30
2.59
0.302
0.18
0.267
75
0.6
Raisins, seedless
299
79.2
3.1
0.5
0
11
749
50
32
1.88
0.318
0.22
0.299
101
0.6 0.2
Raspberries, raw
52
11.9
1.2
0.7
0
1
151
25
22
0.69
0.090
0.42
0.670
29
116
31.2
0.4
0.1
0
1
96
145
12
0.21
0.027
0.08
0.073
8
0.9
21
4.5
0.9
0.2
0
4
288
86
12
0.22
0.021
0.10
0.196
14
1.1
Rice, brown, long-grain, cooked
111
23.0
2.6
0.9
0
5
43
10
43
0.42
0.100
0.63
0.905
83
9.8
Rice, brown, medium-grain, cooked
112
23.5
2.3
0.8
0
1
79
10
44
0.53
0.081
0.62
1.097
77
Rhubarb, frozen, cooked, w/sugar Rhubarb, raw
Rice, white, glutinous, cooked
97
21.1
2.0
0.2
0
5
10
2
5
0.14
0.049
0.41
0.262
8
5.6
Rice, white, long-grain, regular, cooked
130
28.2
2.7
0.3
0
1
35
10
12
1.20
0.069
0.49
0.472
43
7.5
Rice, white, medium-grain, cooked
130
28.6
2.4
0.2
0
0
29
3
13
1.49
0.038
0.42
0.377
37
7.5
Rice, white, short-grain, cooked
130
28.7
2.4
0.2
0
0
26
1
8
1.46
0.072
0.40
0.357
33
7.5
Rockfish, Pacific, mixed species, cooked, dry heat
121
0.0
24.0
2.0
44
77
520
12
34
0.53
0.037
0.53
0.020
228
46.8
Rolls, hamburger or hotdog, plain
19.5
279
49.5
9.5
4.3
0
479
94
138
21
3.32
0.220
0.66
0.272
62
Rutabagas, boiled, w/o salt
39
8.7
1.3
0.2
0
20
326
48
23
0.53
0.041
0.35
0.174
56
0.7
Sablefish, cooked, dry heat
250
0.0
17.2
19.6
63
72
459
45
71
1.64
0.028
0.41
0.019
215
46.8
Sablefish, smoked
257
0.0
17.7
20.1
64
737
471
50
74
1.69
0.036
0.43
0.020
222
50.2
Salami, cooked, turkey
152
0.4
15.3
9.4
76
1004
216
40
22
1.25
0.190
2.32
0.020
266
26.4
Salami, dry or hard, pork
407
1.6
22.6
33.7
79
2260
378
13
22
1.30
0.160
4.20
0.070
229
25.4
Salami, dry or hard, pork, beef
385
3.8
23.2
30.1
100
2010
378
8
17
1.51
0.080
3.23
Salami, Italian, pork
425
1.2
21.7
37.0
80
1890
340
10
22
1.52
0.160
4.20
Salmon, Atlantic, farmed, cooked, dry heat
206
0.0
22.1
12.4
63
61
384
15
30
0.34
0.049
Salmon, Atlantic, farmed, raw
183
0.0
19.9
10.9
59
59
362
12
28
0.36
0.049
Salmon, Atlantic, wild, cooked, dry heat
182
0.0
25.4
8.1
71
56
628
15
37
1.03
Salmon, Atlantic, wild, raw
142
0.0
19.8
6.3
55
44
490
12
29
Salmon, Chinook, cooked, dry heat
231
0.0
25.7
13.4
85
60
505
28
Salmon, Chinook, raw
179
0.0
19.9
10.4
50
47
394
Salmon, Chinook, smoked
117
0.0
18.3
4.3
23
784
Salmon, Chinook, smoked (lox)
117
0.0
18.3
4.3
23
Salmon, chum, cooked, dry heat
154
0.0
25.8
4.8
Salmon, coho, farmed, cooked, dry heat
178
0.0
24.3
Salmon, coho, farmed, raw
160
0.0
Salmon, coho, wild, cooked, dry heat
139
Salmon, coho, wild, raw
142
26.1
0.070
229
25.4
0.43
0.016
252
41.4
0.40
0.015
233
36.5
0.321
0.82
0.021
256
46.8
0.80
0.250
0.64
0.016
200
36.5
122
0.91
0.053
0.56
0.019
371
46.8
26
95
0.25
0.041
0.44
0.015
289
36.5
175
11
18
0.85
0.230
0.31
0.017
164
32.4
2000
175
11
18
0.85
0.230
0.31
0.017
164
38.1
95
64
550
14
28
0.71
0.071
0.60
0.019
363
46.8
8.2
63
52
460
12
34
0.39
0.089
0.47
0.021
332
14.1
21.3
7.7
51
47
450
12
31
0.34
0.048
0.43
0.012
292
12.6
0.0
23.5
4.3
55
58
434
45
33
0.61
0.071
0.56
0.019
322
38.0
146
0.0
21.6
5.9
45
46
423
36
31
0.56
0.051
0.41
0.014
262
36.5
Salmon, pink, cooked, dry heat
149
0.0
25.6
4.4
67
86
414
17
33
0.99
0.099
0.71
0.019
295
57.2
Salmon, pink, raw
116
0.0
19.9
3.5
52
67
323
13
26
0.77
0.077
0.55
0.015
230
44.6
Salmon, sockeye, cooked, dry heat
216
0.0
27.3
11.0
87
66
375
7
31
0.55
0.067
0.51
0.020
276
37.8
Salmon, sockeye, raw
168
0.0
21.3
8.6
62
47
391
6
24
0.47
0.052
0.54
0.014
215
33.7
Sausage, chicken, beef, pork, skinless, smoked
216
8.1
13.6
14.3
120
1034
246
100
14
4.80
0.063
2.68
0.015
132
20.2
Sausage, Italian, pork, cooked
344
4.3
19.1
27.3
57
1207
304
21
18
1.43
0.080
2.39
Sausage, Italian, sweet, links
149
2.1
16.1
8.4
30
570
194
25
12
1.19
0.040
1.52
0.007
170
22.0
103
10.8
Nutrient Values of Foods
Food description
7-29 Energy kcal/ 100 g
Carb. Protein g/ g/ 100 g 100 g
Fat g/ 100 g
Chol. Na K Ca Mg Fe Cu Zn Mn P Se mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ μg/ 100 g 100 g 100 g 100g 100 g 100 g 100 g 100 g 100 g 100 g 100 g
Sausage, Polish, beef w. chicken, hot
259
3.6
17.6
19.4
66
1540
237
12
14
0.88
0.090
1.93
0.049
136
Sausage, smoked link sausage, pork & beef
320
2.4
12.0
28.7
58
911
179
12
13
0.75
0.077
1.26
0.048
121
0.0
Sausage, turkey, breakfast links, mild
235
1.6
15.4
18.1
60
585
197
32
25
1.07
0.111
2.13
0.066
185
22.2
Scallops, (bay & sea), steamed
112
0.0
23.2
1.4
53
265
476
115
55
3.00
0.300
3.00
338
27.9
Scrapple, pork
213
14.1
8.1
13.9
49
659
158
7
13
1.89
0.212
1.06
76
17.4
Sea bass, mixed species, cooked, dry heat
124
0.0
23.6
2.6
53
87
328
13
53
0.37
0.024
0.52
0.020
248
46.8
Shad, American, cooked, dry heat
252
0.0
21.7
17.7
96
65
492
60
38
1.24
0.082
0.47
0.054
349
46.8
Shark, mixed species, batter-dipped & fried
228
6.4
18.6
13.8
59
122
155
50
43
1.11
0.042
0.48
0.050
194
34.0
Shortening, frying (heavy duty), beef tallow & cottonseed Shortening, household, soybean (hydrogenated) & palm Shrimp, mixed species, cooked, moist heat
900
0.0
0.0
100.0
100
0
0
0
0
0.00
0
0.0
884
0.0
0.0
100.0
0
0
0
0
0
0.00
0.000
0.00
0.000
0
0.0
99
0.0
20.9
1.1
195
224
182
39
34
3.09
0.193
1.56
0.034
137
39.6
Shrimp, mixed species, imitation, made from surimi Shrimp, mixed species, raw
101
9.1
12.4
1.5
36
705
89
19
43
0.60
0.032
0.33
0.011
282
22.9
106
0.9
20.3
1.7
152
148
185
52
37
2.41
0.264
1.11
0.050
205
38.0
Smelt, rainbow, cooked, dry heat
124
0.0
22.6
3.1
90
77
372
77
38
1.15
0.178
2.12
0.900
295
46.8
90
2.0
16.1
1.4
50
70
382
10
250
3.50
0.400
1.00
Snapper, mixed species, cooked, dry heat
128
0.0
26.3
1.7
47
57
522
40
37
0.24
0.046
0.44
Sour cream, light
136
7.1
3.5
10.6
35
71
212
141
10
0.07
0.016
Sour cream, reduced fat
181
7.0
7.0
14.1
35
70
211
141
11
0.06
0.010
Soybeans, green, boiled, w/o salt
141
11.1
12.4
6.4
0
14
539
145
60
2.50
0.117
0.91
Soybeans, green, raw
147
11.1
13.0
6.8
0
15
620
197
65
3.55
0.128
0.99
0.547
194
1.5
Soybeans, mature cooked, boiled, w/o salt
173
9.9
16.6
9.0
0
1
515
102
86
5.14
0.407
1.15
0.824
245
7.3
Spaghetti, cooked, enriched, w. salt
157
30.6
5.8
0.9
0
128
45
7
18
1.33
0.103
0.50
0.317
58
26.4
Spaghetti, whole-wheat, cooked
124
26.5
5.3
0.5
0
3
44
15
30
1.06
0.167
0.81
1.379
89
25.9
Spinach, boiled, w/o salt
23
3.8
3.0
0.3
0
70
466
136
87
3.57
0.174
0.76
0.935
56
1.5
Spinach, raw
23
3.6
2.9
0.4
0
79
558
99
79
2.71
0.130
0.53
0.897
49
1.0
Squash, summer, all varieties, boiled, w/o salt
20
4.3
0.9
0.3
0
1
192
27
24
0.36
0.103
0.39
0.213
39
0.2
Squash, summer, all varieties, raw
16
3.4
1.2
0.2
0
2
262
15
17
0.35
0.051
0.29
0.175
38
0.2
Squash, summer, zucchini, includes skin, boiled, w/o salt Squash, summer, zucchini, includes skin, raw
16
3.9
0.6
0.1
0
3
253
13
22
0.35
0.086
0.18
0.178
40
0.2
16
3.4
1.2
0.2
0
10
262
15
17
0.35
0.051
0.29
0.175
38
0.2
Squash, winter, acorn, baked, w/o salt
56
14.6
1.1
0.1
0
4
437
44
43
0.93
0.086
0.17
0.242
45
0.7
Squash, winter, butternut, baked, w/o salt
40
10.5
0.9
0.1
0
4
284
41
29
0.60
0.065
0.13
0.172
27
0.5
Squash, winter, Hubbard, baked, w/o salt
50
10.8
2.5
0.6
0
8
358
17
22
0.47
0.045
0.15
0.170
23
0.6
Squash, zucchini, baby, raw
21
3.1
2.7
0.4
0
3
459
21
33
0.79
0.097
0.83
0.196
93
0.3
Snails, raw
Strawberries, raw
0.00
17.7
272
27.4
201
49.0
0.50
71
3.1
0.27
85
4.1
158
1.4
0.017
0.502
32
7.7
0.7
0.3
0
1
153
16
13
0.42
0.048
0.14
0.386
24
0.4
Sturgeon, mixed species, cooked, dry heat
135
0.0
20.7
5.2
77
69
364
17
45
0.90
0.053
0.54
0.030
271
16.2
Sturgeon, mixed species, raw
105
0.0
16.1
4.0
60
54
284
13
35
0.70
0.041
0.42
0.025
211
12.6
Sturgeon, mixed species, smoked
173
0.0
31.2
4.4
80
739
379
17
47
0.93
0.050
0.56
0.030
281
20.1
Sugars, brown
377
97.3
0.0
0.0
0
39
346
85
29
1.91
0.298
0.18
0.320
22
1.2
Sugars, granulated
387
100.0
0.0
0.0
0
0
2
1
0
0.01
0.000
0.00
0.000
0
0.6
Sugars, maple
354
90.9
0.1
0.2
0
11
274
90
19
1.61
0.099
6.06
4.422
3
0.8
Sweet potato, baked in skin, w/o salt
90
20.7
2.0
0.2
0
36
475
38
27
0.69
0.161
0.32
0.497
54
0.2
Sweet potato, boiled, w/o skin
76
17.7
1.4
0.1
0
27
230
27
18
0.72
0.094
0.20
0.266
32
0.2
Swordfish, cooked, dry heat
155
0.0
25.4
5.1
50
115
369
6
34
1.04
0.162
1.47
0.020
337
61.7
Swordfish, raw
121
0.0
19.8
4.0
39
90
288
4
27
0.81
0.126
1.15
0.019
263
48.1
Syrups, corn, dark
286
77.6
0.0
0.0
0
155
44
18
8
0.37
0.053
0.04
0.100
11
2.9
Syrups, corn, high-fructose
281
76.0
0.0
0.0
0
2
0
0
0
0.03
0.029
0.02
0.094
0
0.7
Syrups, maple
261
67.1
0.0
0.2
0
9
204
67
14
1.20
0.074
4.16
3.298
2
0.6
Syrups, table blends, cane & 15% maple
278
69.5
0.0
0.0
0
104
53
12
2
0.19
0.017
0.63
0.495
0
0.5
53
13.3
0.8
0.3
0
2
166
37
12
0.15
0.042
0.07
0.039
20
0.1
Tempeh, cooked
196
9.4
18.2
11.4
14
401
96
77
2.13
0.540
1.57
1.285
253
0.0
Tilefish, cooked, dry heat
147
0.0
24.5
4.7
64
59
512
26
33
0.31
0.052
0.53
0.015
236
51.5
96
0.0
17.5
2.3
50
53
433
26
28
0.25
0.041
0.37
0.010
187
36.5
Tangerines, (mandarin oranges), raw
Tilefish, raw
Nutrient Values of Foods
7-30
Food description Tofu, fried
Energy kcal/ 100 g
Carb. Protein g/ g/ 100 g 100 g
Fat g/ 100 g
Chol. Na K Ca Mg Fe Cu Zn Mn P Se mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ mg/ μg/ 100 g 100 g 100 g 100g 100 g 100 g 100 g 100 g 100 g 100 g 100 g
271
10.5
17.2
20.2
0
16
146
372
60
4.87
0.398
1.99
1.495
287
28.5
Tomato juice, canned, w. salt
17
4.2
0.8
0.1
0
269
229
10
11
0.43
0.061
0.15
0.070
18
0.3
Tomatoes, green, raw
23
5.1
1.2
0.2
0
13
204
13
10
0.51
0.090
0.07
0.100
28
0.4
Tomatoes, orange, raw
16
3.2
1.2
0.2
0
42
212
5
8
0.47
0.062
0.14
0.088
29
0.4
Tomatoes, red, ripe, cooked
18
4.0
1.0
0.1
0
11
218
11
9
0.68
0.075
0.14
0.105
28
0.5
Tomatoes, red, ripe, raw, year-round average
18
3.9
0.9
0.2
0
5
237
10
11
0.27
0.059
0.17
0.114
24
0.0
Tomatoes, sun-dried
258
55.8
14.1
3.0
0
2095
3427
110
194
9.09
1.423
1.99
1.846
356
5.5
Tomatoes, yellow, raw
15
3.0
1.0
0.3
0
23
258
11
12
0.49
0.101
0.28
0.120
36
0.4
Trout, mixed species, cooked, dry heat
190
0.0
26.6
8.5
74
67
463
55
28
1.92
0.241
0.85
1.091
314
16.2
Trout, rainbow, farmed, cooked, dry heat
169
0.0
24.3
7.2
68
42
441
86
32
0.33
0.061
0.49
0.020
266
15.0
Trout, rainbow, wild, cooked, dry heat
150
0.0
22.9
5.8
69
56
448
86
31
0.38
0.058
0.51
0.021
269
13.2
Tuna, fresh, bluefin, cooked, dry heat
184
0.0
29.9
6.3
49
50
323
10
64
1.31
0.110
0.77
0.020
326
46.8
Tuna, fresh, bluefin, raw
144
0.0
23.3
4.9
38
39
252
8
50
1.02
0.086
0.60
0.015
254
36.5
Tuna, fresh, skipjack, raw
103
0.0
22.0
1.0
47
37
407
29
34
1.25
0.086
0.82
0.015
222
36.5
Tuna, fresh, yellowfin, raw
108
0.0
23.4
1.0
45
37
444
16
50
0.73
0.064
0.52
0.015
191
36.5
Tuna, skipjack, fresh, cooked, dry heat
132
0.0
28.2
1.3
60
47
522
37
44
1.60
0.110
1.05
0.019
285
46.8
Tuna, white, canned in oil
186
0.0
26.5
8.1
31
396
333
4
34
0.65
0.130
0.47
0.016
267
60.1
Tuna, white, canned in water
128
0.0
23.6
3.0
42
377
237
14
33
0.97
0.039
0.48
0.019
217
65.7
Tuna, yellowfin, fresh, cooked, dry heat
139
0.0
30.0
1.2
58
47
569
21
64
0.94
0.082
0.67
0.019
245
46.8
Turbot, European, cooked, dry heat
122
0.0
20.6
3.8
62
192
305
23
65
0.46
0.047
0.28
0.022
165
46.8
Turkey breast meat
104
4.2
17.1
1.7
43
1015
302
8
21
1.44
0.057
1.33
0.018
162
22.8
Turkey, all classes, breast, meat & skin, roasted
189
0.0
28.7
7.4
74
63
288
21
27
1.40
0.047
2.03
0.020
210
29.1
Turkey, all classes, dark meat, meat & skin, raw
160
0.0
18.9
8.8
72
71
261
17
20
1.69
0.137
2.95
0.021
170
26.4
Turkey, all classes, leg, meat & skin, roasted
208
0.0
27.9
9.8
85
77
280
32
23
2.30
0.154
4.27
0.023
199
37.8
Turkey, all classes, meat only, roasted
170
0.0
29.3
5.0
76
70
298
25
26
1.78
0.094
3.10
0.021
213
36.8
Turkey, all classes, wing, meat & skin, roasted
229
0.0
27.4
12.4
81
61
266
24
25
1.46
0.056
2.10
0.020
197
29.9
Turnip greens, boiled, w/o salt
20
4.4
1.1
0.2
0
29
203
137
22
0.80
0.253
0.14
0.337
29
0.9
Turnips, boiled, w/o salt
22
5.1
0.7
0.1
0
16
177
33
9
0.18
0.002
0.12
0.071
26
0.2
Turnips, raw
28
6.4
0.9
0.1
0
67
191
30
11
0.30
0.085
0.27
0.134
27
0.7
Veal, composite of retail cuts, fat, cooked
642
0.0
9.4
66.7
73
57
173
4
10
1.00
0.044
0.87
0.012
116
5.5
Veal, composite of retail cuts, lean & fat, cooked
231
0.0
30.1
11.4
114
87
325
22
26
1.15
0.114
4.76
0.036
239
12.3
Veal, composite of retail cuts, lean, cooked
196
0.0
31.9
6.6
118
89
338
24
28
1.16
0.120
5.10
0.038
250
13.0
Veal, ground, broiled
172
0.0
24.4
7.6
103
83
337
17
24
0.99
0.103
3.87
0.035
217
13.7
Veal, leg (top round), lean & fat, roasted
160
0.0
27.7
4.7
103
68
389
6
28
0.91
0.129
3.04
0.030
234
11.2
Veal, loin, lean & fat, roasted
217
0.0
24.8
12.3
103
93
325
19
25
0.87
0.110
3.03
0.029
212
11.0
Veal, rib, lean & fat, roasted
228
0.0
24.0
14.0
110
92
295
11
22
0.97
0.099
4.09
0.030
197
10.5
Veal, shoulder, arm, lean & fat, roasted
183
0.0
25.5
8.3
108
90
348
26
26
1.15
0.141
4.18
0.030
221
11.1
Veal, sirloin, lean & fat, roasted
202
0.0
25.1
10.5
102
83
351
13
26
0.92
0.129
3.35
0.029
223
11.1
Veal, sirloin, lean, roasted
168
0.0
26.3
6.2
104
85
365
14
27
0.91
0.136
3.54
0.030
231
11.5
Vinegar, distilled
18
0.0
0.0
0.0
0
2
2
6
1
0.03
0.006
0.01
0.055
4
0.5
Watercress, raw
11
1.3
2.3
0.1
0
41
330
120
21
0.20
0.077
0.11
0.244
60
0.9
Watermelon, raw
30
7.6
0.6
0.2
0
1
112
7
10
0.24
0.042
0.10
0.038
11
0.4
Wheat flour, whole-grain
339
72.6
13.7
1.9
0
5
405
34
138
3.88
0.382
2.93
3.799
346
70.7
Wheat flours, bread, unenriched
361
72.5
12.0
1.7
0
2
100
15
25
0.90
0.182
0.85
0.792
97
39.7
Wolffish, Atlantic, cooked, dry heat
123
0.0
22.4
3.1
59
109
385
8
38
0.12
0.037
1.00
0.019
256
46.8 36.5
Wolffish, Atlantic, raw
96
0.0
17.5
2.4
46
85
300
6
30
0.09
0.029
0.78
0.015
200
Yam, boiled, or baked, w/o salt
116
27.6
1.5
0.1
0
8
670
14
18
0.52
0.152
0.20
0.371
49
0.7
Yellowtail, mixed species, cooked, dry heat
187
0.0
29.7
6.7
71
50
538
29
38
0.63
0.058
0.67
0.019
201
46.8
Yogurt, fruit varieties, non-fat
94
19.0
4.4
0.2
2
58
194
152
15
0.07
0.011
0.74
0.035
119
6.0
Yogurt, plain, low fat, 12 grams protein per 8 oz
63
7.0
5.3
1.6
6
70
234
183
17
0.08
0.013
0.89
0.004
144
3.3
Yogurt, plain, skim milk, 13 grams protein per 8 oz
56
7.7
5.7
0.2
2
77
255
199
19
0.09
0.015
0.97
0.005
157
3.6
Yogurt, plain, whole milk, 8 grams protein per 8 oz
61
4.7
3.5
3.3
13
46
155
121
12
0.05
0.009
0.59
0.004
95
2.2
PREPARATION OF SPECIAL ANALYTICAL REAGENTS Aluminon (qualitative test for aluminum). Aluminon is a trade name for the ammonium salt of aurintricarboxylic acid. Dissolve 1 g of the salt in 1 L of distilled water. Shake the solution well to insure thorough mixing. Bang’s reagent (for glucose estimation). Dissolve 100 g of K2CO3, 66 g of KCl and 160 g of KHCO3 in the order given in about 700 mL of water at 30°C. Add 4.4 g of CuSO4 and dilute to 1 L after the CO2 is evolved. This solution should be shaken only in such a manner as not to allow entry of air. After 24 hours 300 mL are diluted to 1 L with saturated KCl solution, shaken gently and used after 24 hours; 50 mL is equivalent to 10 mg glucose. Barfoed’s reagent (test for glucose). See Cupric acetate. Baudisch’s reagent. See Cupferron. Benedict’s solution (qualitative reagent for glucose). With the aid of heat, dissolve 173 g of sodium citrate and 100 g of Na2CO3 in 800 mL of water. Filter, if necessary, and dilute to 850 mL. Dissolve 17.3 g of CuSO4·5H2O in 100 mL of water. Pour the latter solution, with constant stirring, into the carbonate-citrate solution, and dilute to 1 L. Benzidine hydrochloride solution (for sulfite determination). Make a paste of 8 g of benzidine hydrochloride (C12H8(NH3)2·2HCl) and 20 mL of water, add 20 mL of HCl (sp. gr. 1.12) and dilute to 1 L with water. Each mL of this solution is equivalent to 0.00357 g of H2SO4. Bertrand’s reagent (glucose estimation). Consists of the following solutions: 1. Dissolve 200 g of Rochelle salt and 150 g of NaOH in sufficient water to make 1 L of solution. 2. Dissolve 40 g of CuSO4 in enough water to make 1 L of solution. 3. Dissolve 50 g of Fe2(SO4)3 and 200 g of H2SO4 (sp. gr. 1.84) in sufficient water to make 1 L of solution. 4. Dissolve 5 g of KMnO4 in sufficient water to make 1 L of solution. Bial’s reagent (for pentose). Dissolve 1 g of orcinol (5-methyl1,3-benzenediol) in 500 mL of 30% HCl to which 30 drops of a 10% solution of FeCl3 has been added. Boutron — Boudet soap solution: 1. Dissolve 100 g of pure castile soap in about 2.5 L of 56% ethanol. 2. Dissolve 0.59 g of Ba(NO3)2 in 1 L of water. Adjust the castile soap solution so that 2.4 mL of it will give a permanent lather with 40 mL of solution (b). When adjusted, 2.4 mL of soap solution is equivalent to 220 parts per million of hardness (as CaCO3) for a 40 mL sample. See also Soap solution. Brucke’s reagent (protein precipitation). See Potassium iodidemercuric iodide. Clarke’s soap solution (estimation of hardness in water). 1. Dissolve 100 g of pure powdered castile soap in 1 L of 80% ethanol and allow to stand over night. 2. Prepare a solution of CaCl2 by dissolving 0.5 g of CaCO3 in HCl (sp. gr. 1.19), neutralize with NH4OH and make slightly alkaline to litmus, and dilute to 500 mL. One mL is equivalent to 1 mg of CaCO3.
Titrate (1) against (2) and dilute (1) with 80% ethanol until 1 mL of the resulting solution is equivalent to 1 mL of (2) after making allowance for the lather factor (the amount of standard soap solution required to produce a permanent lather in 50 mL of distilled water). One mL of the adjusted solution after subtracting the lather factor is equivalent to 1 mg of CaCO3. See also Soap solution. Cobalticyanide paper (Rinnmann’s test for Zn). Dissolve 4 g of K3Co(CN)6 and 1 g of KClO3 in 100 mL of water. Soak filter paper in solution and dry at 100°C. Apply drop of zinc solution and burn in an evaporating dish. A green disk is obtained if zinc is present. Cochineal. Extract 1 g of cochineal for 4 days with 20 mL of alcohol and 60 mL of distilled water. Filter. Congo red. Dissolve 0.5 g of congo red in 90 mL of distilled water and 10 mL of alcohol. Cupferron (Baudisch’s reagent for iron analysis). Dissolve 6 g of the ammonium salt of N-hydroxy-N-nitrosoaniline (cupferron) in 100 mL of H2O. Reagent good for 1 week only and must be kept in the dark. Cupric acetate (Barfoed’s reagent for reducing monosaccharides). Dissolve 66 g of cupric acetate and 10 mL of glacial acetic acid in water and dilute to 1 L. Cupric oxide, ammoniacal; Schweitzer’s reagent (dissolves cotton, linen, and silk, but not wool). 1. Dissolve 5 g of cupric sulfate in 100 mL of boiling water, and add sodium hydroxide until precipitation is complete. Wash the precipitate well, and dissolve it in a minimum quantity of ammonium hydroxide. 2. Bubble a slow stream of air through 300 mL of strong ammonium hydroxide containing 50 g of fine copper turnings. Continue for 1 hour. Cupric sulfate in glycerin-potassium hydroxide (reagent for silk). Dissolve 10 g of cupric sulfate, CuSO4·5H2O, in 100 mL of water and add 5 g of glycerol. Add KOH solution slowly until a deep blue solution is obtained. Cupron (precipitates copper). Dissolve 5 g of benzoinoxime in 100 mL of 95% ethanol. Cuprous chloride, acidic (reagent for CO in gas analysis). 1. Cover the bottom of a 2-L flask with a layer of cupric oxide about 0.5 inch deep, suspend a coil of copper wire so as to reach from the bottom to the top of the solution, and fill the flask with hydrochloric acid (sp. gr. 1.10). Shake occasionally. When the solution becomes nearly colorless, transfer to reagent bottles, which should also contain copper wire. The stock bottle may be refilled with dilute hydrochloric acid until either the cupric oxide or the copper wire is used up. Copper sulfate may be substituted for copper oxide in the above procedure. 2. Dissolve 340 g of CuCl2·2H2O in 600 mL of conc. HCl and reduce the cupric chloride by adding 190 mL of a saturated solution of stannous chloride or until the solution is colorless. The stannous chloride is prepared by treating 300 g of metallic tin in a 500 mL flask with conc. HCl until no more tin goes into solution. 3. (Winkler method). Add a mixture of 86 g of CuO and 17 g of finely divided metallic Cu, made by the reduction of CuO with hydrogen, to a solution of HCl, made by dilut8-1
Section 8.indb 1
4/30/05 8:46:04 AM
Preparation of Special Analytical Reagents
8-2 ing 650 mL of conc. HCl with 325 mL of water. After the mixture has been added slowly and with frequent stirring, a spiral of copper wire is suspended in the bottle, reaching all the way to the bottom. Shake occasionally, and when the solution becomes colorless, it is ready for use. Cuprous chloride, ammoniacal (reagent for CO in gas analysis). 1. The acid solution of cuprous chloride as prepared above is neutralized with ammonium hydroxide until an ammonia odor persists. An excess of metallic copper must be kept in the solution. 2. Pour 800 mL of acidic cuprous chloride, prepared by the Winkler method, into about 4 L of water. Transfer the precipitate to a 250 mL graduate. After several hours, siphon off the liquid above the 50 mL mark and refill with 7.5% NH4OH solution which may be prepared by diluting 50 mL of conc. NH4OH with 150 mL of water. The solution is well shaken and allowed to stand for several hours. It should have a faint odor of ammonia. Dichlorofluorescein indicator. Dissolve 1 g in 1 L of 70% alcohol or 1 g of the sodium salt in 1 L of water. Dimethyglyoxime, 0.01 N. Dissolve 0.6 g of dimethylglyoxime (2,3-butanedione oxime) in 500 mL of 95% ethanol. This is an especially sensitive test for nickel, a very definite crimson color being produced. Diphenylamine (reagent for rayon). Dissolve 0.2 g in 100 mL of concentrated sulfuric acid. Diphenylamine sulfonate (for titration of iron with K2Cr2O7). Dissolve 0.32 g of the barium salt of diphenylamine sulfonic acid in 100 mL of water, add 0.5 g of sodium sulfate and filter off the precipitate of BaSO4. Diphenylcarbazide. Dissolve 0.2 g of diphenylcarbazide in 10 mL of glacial acetic acid and dilute to 100 mL with 95% ethanol. Esbach’s reagent (estimation of protein). To a water solution of 10 g of picric acid and 20 g of citric acid, add sufficient water to make 1 L of solution. Eschka’s compound. Two parts of calcined (“light”) magnesia are thoroughly mixed with 1 part of anhydrous sodium carbonate. Fehling’s solution (reagent for reducing sugars.) 1. Copper sulfate solution. Dissolve 34.66 g of CuSO4·5H2O in water and dilute to 500 mL. 2. Alkaline tartrate solution. Dissolve 173 g of potassium sodium tartrate (Rochelle salt, KNaC4H4O6·4H2O) and 50 g of NaOH in water and dilute when cold to 500 mL. Mix equal volumes of the two solutions at the time of using. Ferric-alum indicator. Dissolve 140 g of ferric ammonium sulfate crystals in 400 mL of hot water. When cool, filter, and make up to a volume of 500 mL with dilute nitric acid. Folin’s mixture (for uric acid). To 650 mL of water add 500 g of (NH4)2SO4, 5 g of uranium acetate, and 6 g of glacial acetic acid. Dilute to 1 L. Formaldehyde — sulfuric acid (Marquis’ reagent for alkaloids). Add 10 mL of formaldehyde solution to 50 mL of sulfuric acid. Froehde’s reagent. See Sulfomolybdic acid. Fuchsin (reagent for linen). Dissolve 1 g of fuchsin in 100 mL of alcohol.
Section 8.indb 2
Fuchsin — sulfurous acid (Schiff’s reagent for aldehydes). Dissolve 0.5 g of fuchsin and 9 g of sodium bisulfite in 500 mL of water, and add 10 mL of HCl. Keep in well-stoppered bottles and protect from light. Gunzberg’s reagent (detection of HCl in gastric juice). Prepare as needed a solution containing 4 g of phloroglucinol (1,3,5benzenetriol) and 2 g of vanillin in 100 mL of absolute ethanol. Hager’s reagent. See Picric acid. Hanus solution (for iodine number). Dissolve 13.2 g of resublimed iodine in 1 L of glacial acetic acid which will pass the dichromate test for reducible matter. Add sufficient bromine to double the halogen content, determined by titration (3 mL is about the proper amount). The iodine may be dissolved by the aid of heat, but the solution should be cold when the bromine is added. Iodine, tincture of. To 50 mL of water add 70 g of I2 and 50 g of KI. Dilute to 1 L with alcohol. Iodo-potassium iodide (Wagner’s reagent for alkaloids). Dissolve 2 g of iodine and 6 g of KI in 100 mL of water. Litmus (indicator). Extract litmus powder three times with boiling alcohol, each treatment consuming an hour. Reject the alcoholic extract. Treat residue with an equal weight of cold water and filter; then exhaust with five times its weight of boiling water, cool and filter. Combine the aqueous extracts. Magnesia mixture (reagent for phosphates and arsenates). Dissolve 55 g of magnesium chloride and 105 g of ammonium chloride in water, barely acidify with hydrochloric acid, and dilute to 1 L. The ammonium hydroxide may be omitted until just previous to use. The reagent, if completely mixed and stored for any period of time, becomes turbid. Magnesium uranyl acetate. Dissolve 100 g of UO2(C2H3O2)2·2H2O in 60 mL of glacial acetic acid and dilute to 500 mL. Dissolve 330 g of Mg(C2H3O2)2·4H2O in 60 mL of glacial acetic acid and dilute to 200 mL. Heat solutions to the boiling point until clear, pour the magnesium solution into the uranyl solution, cool and dilute to 1 L. Let stand over night and filter if necessary. Marme’s reagent. See Potassium-cadmium iodide. Marquis’ reagent. See Formaldehyde-sulfuric acid. Mayer’s reagent (white precipitate with most alkaloids in slightly acid solutions). Dissolve 1.358 g of HgCl2 in 60 mL of water and pour into a solution of 5 g of KI in 10 mL of H2O. Add sufficient water to make 100 mL. Methyl orange indicator. Dissolve 1 g of methyl orange in 1 L of water. Filter, if necessary. Methyl orange, modified. Dissolve 2 g of methyl orange and 2.8 g of xylene cyanole FF in 1 L of 50% alcohol. Methyl red indicator. Dissolve 1 g of methyl red in 600 mL of alcohol and dilute with 400 mL of water. Methyl red, modified. Dissolve 0.50 g of methyl red and 1.25 g of xylene cyanole FF in 1 L of 90% alcohol. Or, dissolve 1.25 g of methyl red and 0.825 g of methylene blue in 1 L of 90% alcohol. Millon’s reagent (for albumins and phenols). Dissolve 1 part of mercury in 1 part of cold fuming nitric acid. Dilute with twice the volume of water and decant the clear solution after several hours. Molisch’s reagent. See 1-Naphthol. 1-Naphthol (Molisch’s reagent for wool). Dissolve 15 g of 1naphthol in 100 mL of alcohol or chloroform.
4/30/05 8:46:05 AM
Preparation of Special Analytical Reagents Nessler’s reagent (for ammonia). Dissolve 50 g of KI in the smallest possible quantity of cold water (50 mL). Add a saturated solution of mercuric chloride (about 22 g in 350 mL of water will be needed) until an excess is indicated by the formation of a precipitate. Then add 200 mL of 5 N NaOH and dilute to 1 L. Let settle, and draw off the clear liquid. Nickel oxide, ammoniacal (reagent for silk). Dissolve 5 g of nickel sulfate in 100 mL of water, and add sodium hydroxide solution until nickel hydroxide is completely precipitated. Wash the precipitate well and dissolve in 25 mL of concentrated ammonium hydroxide and 25 mL of water. Nitron (detection of nitrate radical). Dissolve 10 g of nitron (1,4diphenyl-3-(phenylamino)-1,2,4-triazolium hydroxide) in 5 mL of glacial acetic acid and 95 mL of water. The solution may be filtered with slight suction through an alumdum crucible and kept in a dark bottle. 1-Nitroso-2-naphthol. Make a saturated solution in 50% acetic acid (1 part of glacial acetic acid with 1 part of water). Does not keep well. Nylander’s solution (carbohydrates). Dissolve 20 g of bismuth subnitrate and 40 g of Rochelle salt in 1 L of 8% NaOH solution. Cool and filter. Obermayer’s reagent (for indoxyl in urine). Dissolve 4 g of FeCl3 in 1 L of HCl (sp. gr. 1.19). Oxine. Dissolve 14 g of 8-hydroxyquinoline in 30 mL of glacial acetic acid. Warm slightly, if necessary. Dilute to 1 L. Oxygen absorbent. Dissolve 300 g of ammonium chloride in 1 L of water and add 1 L of concentrated ammonium hydroxide solution. Shake the solution thoroughly. For use as an oxygen absorbent, a bottle half full of copper turnings is filled nearly full with the NH4Cl-NH4OH solution and the gas passed through. Pasteur’s salt solution. To 1 L of distilled water add 2.5 g of potassium phosphate, 0.25 g of calcium phosphate, 0.25 g of magnesium sulfate, and 12.00 g of ammonium tartrate. Pavy’s solution (glucose reagent). To 120 mL of Fehling’s solution, add 300 mL of NH4OH (sp. gr. 0.88) and dilute to 1 L with water. Phenanthroline ferrous ion indicator. Dissolve 1.485 g of 1,10phenanthroline monohydrate in 100 mL of 0.025 M ferrous sulfate solution. Phenolphthalein. Dissolve 1 g of phenolphthalein in 50 mL of alcohol and add 50 mL of water. Phenolsulfonic acid (determination of nitrogen as nitrate). Dissolve 25 g of phenol in 150 mL of conc. H2SO4, add 75 mL of fuming H2SO4 (15% SO3), stir well and heat for 2 hours at 100°C. Phloroglucinol solution (pentosans). Make a 3% phloroglucinol (1,3,5-benzenetriol) solution in alcohol. Keep in a dark bottle. Phosphomolybdic acid (Sonnenschein’s reagent for alkaloids). 1. Prepare ammonium phosphomolybdate and after washing with water, boil with nitric acid and expel NH3; evaporate to dryness and dissolve in 2 M nitric acid. 2. Dissolve ammonium molybdate in HNO3 and treat with phosphoric acid. Filter, wash the precipitate, and boil with aqua regia until the ammonium salt is decomposed. Evaporate to dryness. The residue dissolved in 10% HNO3 constitutes Sonnenschein’s reagent.
Section 8.indb 3
8-3 Phosphoric acid — sulfuric acid mixture. Dilute 150 mL of conc. H2SO4 and 100 mL of conc. H3PO4 (85%) with water to a volume of 1 L. Phosphotungstic acid (Schcibicr’s reagent for alkaloids). 1. Dissolve 20 g of sodium tungstate and 15 g of sodium phosphate in 100 mL of water containing a little nitric acid. 2. The reagent is a 10% solution of phosphotungstic acid in water. Thc.phosphotungstic acid is prepared by evaporating a mixture of 10 g of sodium tungstate dissolved in 5 g of phosphoric acid (sp. gr. 1.13) and enough boiling water to effect solution. Crystals of phosphotungstic acid separate. Picric acid (Hager’s reagent for alkaloids, wool and silk). Dissolve 1 g of picric acid in 100 mL of water. Potassium antimonate (reagent for sodium). Boil 22 g of potassium antimonate with 1 L of water until nearly all of the salt has dissolved, cool quickly, and add 35 mL of 10% potassium hydroxide. Filter after standing overnight. Potassium-cadmium iodide (Marme’s reagent for alkaloids). Add 2 g of CdI2 to a boiling solution of 4 g of KI in 12 mL of water, and then mix with 12 mL of saturated KI solution. Potassium hydroxide (for CO2 absorption). Dissolve 360 g of KOH in water and dilute to 1 L. Potassium iodide — mercuric iodide (Brucke’s reagent for proteins). Dissolve 50 g of KI in 500 mL of water, and saturate with mercuric iodide (about 120 g). Dilute to 1 L. Potassium pyrogallate (for oxygen absorption). For mixtures of gases containing less than 28% oxygen, add 100 mL of KOH solution (50 g of KOH to 100 mL of water) to 5 g of pyrogallol. For mixtures containing more than 28% oxygen the KOH solution should contain 120 g of KOH to 100 mL of water. Pyrogallol, alkaline. 1. Dissolve 75 g of pyrogallic acid in 75 mL of water. 2. Dissolve 500 g of KOH in 250 mL of water. When cool, adjust until sp. gr. is 1.55. For use, add 270 mL of solution (2) to 30 mL of solution (1). Rosolic acid (indicator). Dissolve 1 g of rosolic acid in 10 mL of alcohol and add 100 mL of water. Scheibler’s reagent. See Phosphotungstic acid. Schiff’s reagent. See Fuchsin-sulfurous acid. Schweitzer’s reagent. See Cupric oxide, ammoniacal. Soap solution (reagent for hardness in water). Dissolve 100 g of dry castile soap in 1 L of 80% alcohol (5 parts alcohol to 1 part water). Allow to stand several days and dilute with 70% to 80% alcohol until 6.4 mL produces a permanent lather with 20 mL of standard calcium solution. The latter solution is made by dissolving 0.2 g of CaCO3 in a small amount of dilute HCl, evaporating to dryness and making up to 1 L. Sodium bismuthate (oxidation of manganese). Heat 20 parts of NaOH nearly to redness in an iron or nickel crucible and add slowly 10 parts of basic bismuth nitrate which has been previously dried. Add 2 parts of sodium peroxide, and pour the brownish-yellow fused mass onto an iron plate to cool. When cold, break up in a mortar, extract with water, and collect on an asbestos filter. Sodium hydroxide (for CO2 absorption). Dissolve 330 g of NaOH in water and dilute to 1 L.
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8-4 Sodium nitroprusside (reagent for hydrogen sulfide and wool). Use a freshly prepared solution of 1 g of sodium nitroferricyanide in 10 mL of water. Sodium oxalate (primary standard). Dissolve 30 g of the commercial salt in 1 L of water, make slightly alkaline with sodium hydroxide, and let stand until perfectly clear. Filter and evaporate the filtrate to 100 mL. Cool and filter. Pulverize the residue and wash it several times with small volumes of water. The procedure is repeated until the mother liquor is free from sulfate and is neutral to phenolphthalein. Sodium plumbite (reagent for wool). Dissolve 5 g of sodium hydroxide in 100 mL of water. Add 5 g of litharge (PbO) and boil until dissolved. Sodium polysulfide. Dissolve 480 g of Na2S·9H2O in 500 mL of water, add 40 g of NaOH and 18 g of sulfur. Stir thoroughly and dilute to 1 L with water. Sonnenschein’s reagent. See Phosphomolybdic acid. Starch solution. 1. Make a paste with 2 g of soluble starch and 0.01 g of HgI2 with a small amount of water. Add the mixture slowly to 1 L of boiling water and boil for a few minutes. Keep in a glass stoppered bottle. If other than soluble starch is used, the solution will not clear on boiling; it should be allowed to stand and the clear liquid decanted. 2. A solution of starch which keeps indefinitely is made as follows: Mix 500 mL of saturated NaCl solution (filtered), 80 mL of glacial acetic acid, 20 mL of water and 3 g of starch. Bring slowly to a boil and boil for 2 minutes. 3. Make a paste with 1 g of soluble starch and 5 mg of HgI2, using as little cold water as possible. Then pour about 200 mL of boiling water on the paste and stir immediately. This will give a clear solution if the paste is prepared correctly and the water actually boiling. Cool and add 4 g of KI. Starch solution decomposes on standing due to bacterial action, but this solution will keep well if stored under a layer of toluene. Stoke’s reagent. Dissolve 30 g of FeSO4 and 20 g of tartaric acid in water and dilute to 1 L. Just before using, add concentrated NH4OH until the precipitate first formed is redissolved. Sulfanilic acid (reagent for nitrites). Dissolve 0.5 g of sulfanilic acid in a mixture of 15 mL of glacial acetic acid and 135 mL of recently boiled water. Sulfomolybdic acid (Froehde’s reagent for alkaloids and glucosides). Dissolve 10 g of molybdic acid or sodium molybdate in 100 mL of conc. H2SO4. Tannic acid (reagent for albumin, alkaloids, and gelatin). Dissolve 10 g of tannic acid in 10 mL of alcohol and dilute with water to 100 mL.
Section 8.indb 4
Preparation of Special Analytical Reagents Titration mixture (residual chlorine in water analyasis). Prepare 1 L of dilute HCl (100 mL of HCl (sp. gr. 1.19) in sufficient water to make 1 L). Dissolve 1 g of o-tolidine in 100 mL of the dilute HCl and dilute to 1 L with dilute HCl solution. Trinitrophenol solution. See Picric acid. Turmeric tincture (reagent for borates). Digest ground turmeric root with several quantities of water which are discarded. Dry the residue and digest it several days with six times its weight of alcohol. Filter. Uffelmann’s reagent (turns yellow in presence of lactic acid). To a 2% solution of pure phenol in water, add a water solution of FeCl3 until the phenol solution becomes violet in color. Wagner’s reagent. See Iodo-potassium iodide. Wagner’s solution (used in phosphate rock analysis to prevent precipitation of iron and aluminum). Dissolve 25 g of citric acid and 1 g of salicylic acid in water and dilute to 1 L. Use 50 mL of the reagent. Wij’s iodine monochloride solution (for iodine number). Dissolve 13 g of resublimed iodine in 1 L of glacial acetic acid which will pass the dichromate test for reducible matter. Set aside 25 mL of this solution. Pass into the remainder of the solution dry chlorine gas (dried and washed by passing through H2SO4 (sp. gr. 1.84)) until the characteristic color of free iodine has been discharged. Now add the iodine solution which was reserved, until all free chlorine has been destroyed. A slight excess of iodine does little or no harm, but an excess of chlorine must be avoided. Preserve in well stoppered, amber colored bottles. Avoid use of solutions which have been prepared for more than 30 days. Wij’s special solution (for iodine number). To 200 mL of glacial acetic acid that will pass the dichromate test for reducible matter, add 12 g of dichloramine T (N,N-dichloro-4-methylbenzenesulfonamide), and 16.6 g of dry KI (in small quantities with continual shaking until all the KI has dissolved). Make up to 1 L with the same quality of acetic acid used above and preserve in a dark colored bottle. Zimmermann-Reinhardt reagent (determination of iron). Dissolve 70 g of MnSO4·4H2O in 500 mL of water, add 125 mL of conc. H2SO4 and 125 mL of 85% H3P04, and dilute to 1 L. Zinc chloride solution, basic (reagent for silk). Dissolve 1000 g of zinc chloride in 850 mL of water, and add 40 g of zinc oxide. Heat until solution is complete. Zinc uranyl acetate (reagent for sodium). Dissolve 10 g of UO2(C2H3O2)2·2H2O in 6 g of 30% acetic acid with heat, if necessary, and dilute to 50 mL. Dissolve 30 g of Zn(C2H3O2)2·H2O in 3 g of 30% acetic acid and dilute to 50 mL. Mix the two solutions, add 50 mg of NaCl, allow to stand overnight and filter.
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STANDARD SOLUTIONS OF ACIDS, BASES, AND SALTS For each compound listed, the last column of this table gives the mass in grams which is contained in 1 liter of a solution whose amount-of-substance concentration divided by the equivalence factor of the compound equals 0.1 mol/L. In the older literature such a solution is often referred to as a “decinormal solution” (0.1 N).
Name Acetic acid Ammonia Ammonium ion Ammonium chloride Ammonium sulfate Ammonium thiocyanate Barium Barium carbonate Barium chloride hydrate Barium hydroxide Barium oxide Bromine Calcium Calcium carbonate Calcium chloride Calcium chloride hydrate Calcium hydroxide Calcium oxide Chlorine Citric acid Cobalt Copper Copper oxide (cupric) Copper sulfate hydrate Hydrochloric acid Hydrocyanic acid Iodine Lactic acid Malic acid Magnesium Magnesium carbonate Magnesium chloride Magnesium chloride hydrate Magnesium oxide Manganese Manganese sulfate Mercuric chloride Nickel Nitric acid Oxalic acid Oxalic acid hydrate Oxalic acid anhydride Phosphoric acid Potassium Potassium bicarbonate Potassium carbonate Potassium chloride Potassium cyanide Potassium hydroxide
Formula HC2H3O2 NH3 NH4+ NH4Cl (NH4)2SO4 NH4CNS Ba BaCO3 BaCl2 · 2H2O Ba(OH)2 BaO Br Ca CaCO3 CaCl2 CaCl2 · 6H2O Ca(OH)2 CaO Cl C6H8O7 · H2O Co Cu CuO CuSO4 · 5H2O HCl HCN I C3H6O3 C4H6O5 Mg MgCO3 MgCl2 MgCl2 · 6H2O MgO Mn MnSO4 HgCl2 Ni HNO3 H2C2O4 H2C2O4 · 2H2O C2O3 H3PO4 K KHCO3 K2CO3 KCl KCN KOH
Reference Compendium of Analytical Nomenclature (IUPAC), Pergamon Press, Oxford, 1978.
Atomic or molecular weight 60.0530 17.0306 18.0386 53.4916 132.1388 76.1204 137.34 197.3494 244.2767 171.3547 153.3394 79.909 40.08 100.0894 110.9860 219.0150 74.0947 56.0794 35.453 210.1418 58.9332 63.54 79.5394 249.6783 36.4610 27.0258 126.9044 90.0795 134.0894 24.312 84.3214 95.2180 203.2370 40.3114 54.938 150.9996 271.4960 58.71 63.0129 90.0358 126.0665 72.0205 97.9953 39.102 100.1193 138.2134 74.5550 65.1199 56.1094
Equivalence factor 1 1 1 1 1/2 1 1/2 1/2 1/2 1/2 1/2 1 1/2 1/2 1/2 1/2 1/2 1/2 1 1/3 1/2 1/2 1/2 1/2 1 1 1 1 1/2 1/2 1/2 1/2 1/2 1/2 1/2 1/2 1/2 1/2 1 1/2 1/2 1/2 1/3 1 1 1/2 1 1 1
Mass in grams 6.0053 1.7031 1.8039 5.3492 6.6069 7.6120 6.867 9.8675 12.2138 8.5677 7.6670 7.9909 2.004 5.0045 5.5493 10.9508 3.7047 2.8040 3.5453 7.0047 2.9466 3.177 3.9770 12.4839 3.6461 2.7026 12.6904 9.0080 6.7045 1.2156 4.2161 4.7609 10.1623 2.0156 2.7469 7.5500 13.5748 2.9356 6.3013 4.5018 6.3033 3.6010 3.2665 3.9102 10.0119 6.9106 7.4555 6.5120 5.6109
8-5
Section 8.indb 5
4/30/05 8:46:07 AM
Standard Solutions of Acids, Bases, and Salts
8-6
Name Potassium oxide Potassium tartrate Silver Silver nitrate Sodium Sodium bicarbonate Sodium carbonate Sodium chloride Sodium hydroxide Sodium oxide Sodium sulfide Succinic acid Sulfuric acid Tartaric acid Zinc Zinc sulfate hydrate
Section 8.indb 6
Formula K2O K2H4C4O6 Ag AgNO3 Na NaHCO3 Na2CO3 NaCl NaOH Na2O Na2S H2C4H4O4 H2SO4 C4H6O6 Zn ZnSO4 ¡ 7H2O
Atomic or molecular weight 94.2034 226.2769 107.87 169.8749 22.9898 84.0071 105.9890 58.4428 39.9972 61.9790 78.0436 118.0900 98.0775 150.0888 65.37 287.5390
Equivalence factor 1/2 1/2 1 1 1 1 1/2 1 1 1/2 1/2 1/2 1/2 1/2 1/2 1/2
Mass in grams 4.7102 11.3139 10.787 16.9875 2.2990 8.4007 5.2995 5.8443 3.9997 3.0990 3.9022 5.9045 4.9039 7.5044 3.269 14.3769
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STANDARD SOLUTIONS OF OXIDATION AND REDUCTION REAGENTS For each reagent listed, the last column of this table gives the mass in grams which is contained in a solution whose amount-ofsubstance concentration divided by the equivalence factor of the compound equals 0.1 mol/L. The equivalence factor given refers to the most common reactions of the reagent. In the older literature such a solution is often called a “decinormal solution” (0.1 N).
Name Antimony Arsenic Arsenic trisulfide Arsenous oxide Barium peroxide Barium peroxide hydrate Calcium Calcium carbonate Calcium hypochlorite Calcium oxide Chlorine Chromium trioxide Ferrous ammonium sulfate Hydroferrocyanic acid Hydrogen peroxide Hydrogen sulfide Iodine Iron Iron oxide (ferrous) Iron oxide (ferric) Lead peroxide Manganese dioxide Nitric acid Nitrogen trioxide Nitrogen pentoxide Oxalic acid Oxalic acid hydrate Oxygen Potassium dichromate Potassium chlorate Potassium chromate Potassium ferrocyanide Potassium ferrocyanide hydrate Potassium iodide Potassium nitrate Potassium perchlorate Potassium permanganate Sodium chlorate Sodium nitrate Sodium thiosulfate hydrate Stannous chloride Stannous oxide Sulfur dioxide Tin
Formula Sb As As2S3 As2O3 BaO2 BaO2 · 8H2O Ca CaCO3 Ca(OCl)2 CaO Cl CrO3 FeSO4(NH4)SO4 · 6H2O H4Fe(CN)6 H2O2 H2S I Fe FeO Fe2O3 PbO2 MnO2 HNO3 N2O3 N2O5 C2H2O4 C2H2O4 · 2H2O O K2Cr2O7 KClO3 K2CrO4 K4Fe(CN)6 K4Fe(CN)6 · 3H2O KI KNO3 KClO4 KMnO4 NaClO3 NaNO3 Na2S2O3 · 5H2O SnCl2 SnO SO2 Sn
Reference Compendium of Analytical Nomenclature (IUPAC), Pergamon Press, Oxford, 1978.
Atomic or molecular weight 121.75 74.9216 246.0352 197.8414 169.3388 313.4615 40.08 100.0894 142.9848 56.0794 35.453 99.9942 392.0764 215.9860 34.0147 34.0799 126.9044 55.847 71.8464 159.6922 239.1888 86.9368 63.0129 76.0116 108.0104 90.0358 126.0665 15.9994 294.1918 122.5532 194.1076 368.3621 422.4081 166.0064 101.1069 138.5526 158.0376 106.4410 84.9947 248.1825 189.5960 134.6894 64.0628 118.69
Equivalence factor 1/2 1/2 1/4 1/4 1/2 1/2 1/2 1/2 1/4 1/2 1 1/3 1 1 1/2 1/2 1 1 1 1/2 1/2 1/2 1/3 1/4 1/6 1/2 1/2 1/2 1/6 1/6 1/3 1 1 1 1/3 1/8 1/5 1/6 1/3 1 1/2 1/2 1/2 1/2
Mass in grams 6.0875 3.7461 6.1509 4.9460 8.4669 15.6730 2.004 5.0045 3.5746 2.8040 3.5453 3.3331 39.2076 21.5986 1.7007 1.7040 12.6904 5.5847 7.1846 7.9846 11.9594 4.3468 2.1004 1.9002 1.8001 4.5018 6.3033 0.8000 4.9032 2.0425 6.4733 36.8362 42.2408 16.6006 3.3702 1.7319 3.1608 1.7740 2.8332 24.8183 9.4798 6.7345 3.2031 5.935
8-7
Section 8.indb 7
4/30/05 8:46:08 AM
ORGANIC ANALYTICAL REAGENTS FOR THE DETERMINATION OF INORGANIC SUBSTANCES G. Ackermann, L. Sommer, and D. Thorburn Burns Determination Aluminium
Alizarin Red S Aluminon
Reagents
Aluminon + Cetyltrimethylammonium bromide Chrome Azurol S Chrome Azurol S + Cetyltrimethylammonium bromide Chromazol KS + Cetylpyridinium bromide Eriochrome Cyanine R Eriochrome Cyanine R + Cetyltrimethylammonium bromide 8-Hydroxyquinoline Ammonia Antimony
Phenol + Sodium hypochlorite Brilliant Green Bromopyrogallol Red Rhodamine B
Arsenic
Silver diethyldithiocarbamate Silver diethyldithiocarbamate
Barium
Sulfonazo III
Beryllium
Beryllon II Chrome Azurol S Chrome Azurol S + Cetyltrimethylammonium bromide Eriochrome Cyanine R Eriochrome Cyanine R + Cetyltrimethylammonium bromide Dithizone Pyrocatechol Violet Pyrocatechol Violet + Cetyltrimethylammonium bromide Thiourea Xylenol Orange
Bismuth
Boron
Azomethine H Carminic acid Curcumin Methylene Blue
Bromide Cadmium
Calcium
Cerium
Fluorescein Phenol Red 2-(5-Bromo-2-pyridylazo)-5-diethylaminophenol Cadion Dithizone 4â&#x20AC;&#x201C;(2-Pyridylazo)resorcinol Chlorophosphonazo III Glyoxal-bis(2-hydroxyanil) Murexide Phthalein Purple N-benzoyl-N-phenylhydroxylamine
Ref. Onishi, Part II a, p 28. (5), Snell, Metals I, p 587. (7) Fries/Getrost, p 16. (2), Onishi, IIa, p 21. (5), Snell, Metals I, p 590. (7) Huaxue Shiji, 8, 85, (1986) Onishi, Part IIa, p 26. (5), Snell, Metals I, p 605. (7) Marczenko, p 133. (3), Snell, Metals I, p 606. (7) Analyst, 107, 428, (1982). Fries/Getrost, p 19. (2), Onishi, Part IIa, p 25. (5), Snell, Metals I, p 611. (7) Snell, Metals I, p 613. (7), Analyst, 107, 1431, (1982). Fries/Getrost, p 22. (2), Marczenko, p 131. (3), Onishi, Part IIa, p 31. (5), Snell, Metals I , p 622. (7) Boltz, p 210 (1), Marczenko, p 413. (3), Snell, Nonmetals, p 604. (9) Onishi, Part IIa, p 102. (5), Snell, Metals I, p 384. (7) Talanta, 13, 507, (1966). Fries/Getrost, p 32. (2), Marczenko, p 141. (3), Onishi, Part IIa, p 93. (5), Snell, Metals I, p 404. (7) Fries/Getrost, p 36. (2) Fries/Getrost, p 41. (2), Marczenko, p 153. (3), Onishi, Part IIa, p 153. (5), Snell, Metals I, p 370. (7) Fries/Getrost, p 46. (2), Snell, Metals II, p 1782. (8), Onishi, Part IIa, p 202. (5) Snell, Metals I, p 667. (7) Marczenko, p 163. (3), Snell, Metals I, p 672. (7) Marczenko, p 164. (3), Snell, Metals I, p 673. (7) Snell, Metals I, p 675. (7), Talanta, 31, 249, (1984). Zh. Anal. Khim., 33, 1298, (1978). Onishi, Part IIa, p 262. (5), Snell, Metals I, p 303. (7) Fres. Z. Anal. Chem., 186, 418, (1962). Zh. Anal. Khim., 38, 216, (1983). Onishi, Part IIa, p 260. (5), Snell, Metals I, p 317. (7) Friez/Getrost, p 57. (2), Marczenko, p 172. (3), Snell, Metals I, p 320. (7) Snell, Nonmetals, p 165. (9) Boltz, p 14. (1), Fries/Getrost, p 65. (2), Snell, Nonmetals, p 170. (9), Williams, p 35. (11) Boltz, p 8. (1), Fries/Getrost, p 68. (2), Marczenko, p 180. (3), Snell, Nonmetals, p 180. (9), Fres. Z. Anal. Chem., 323, 266, (1986). Boltz, p 21. (1), Marczenko, p 183. (3), Snell, Nonmetals, p 205. (9), Talanta, 31, 547, (1984). Boltz, p 48. (1), Snell, Nonmetals, p 276., Fres. Z. Anal. Chem., 301, 28 (1980). Boltz, p 44. (1), Marczenko, p 190. (3), Snell, Nonmetals, p 28. (9) Marczenko, p 197. (3) Onishi, Part IIa, p 323. (5) Fries/Getrost, p 78. (2), Onishi, Part IIa, p 315. (5), Snell, Metals I, p 279. (7), West, p 25. (10). Fres. Z. Anal. Chem., 310, 51, (1982). Marczenko, p 207. (3), Snell, Metals II, p 1744. (8) Fries/Getrost, p 86. (2), Onishi, Part IIa, p 352. (5), Snell, Metals I, p 1762. (8) Onishi, Part IIa, p 357. (5), Snell, Metals II, p 1769. (8) Anal. Chim. Acta, 34, 71 (1966). Anal. Chim. Acta, 48, 155, (1969).
8-8
Section 8.indb 8
4/30/05 8:46:09 AM
Organic Analytical Reagents for the Determination of Inorganic Substances Determination
8-Hydroxyquinoline
Reagents
Chlorine
N,N-Diethyl-1,4-phenylenediamine
Chromium
1,5-Diphenylcarbazide
Cobalt
4-(2-Pyridylazo)resorcinol 4-(2-Pyridylazo)resorcinol + Tetradecyldimethylbenzylammonium chloride 4-(2-Pyridylazo)resorcinol + Hydrogen peroxide Nitroso-R salt 1-Nitroso-2-naphthol 2-Nitroso-1-naphthol
Copper
4-(2-Pyridylazo)resorcinol 4-(2-Pyridylazo)resorcinol + Diphenylguanidine Bathocuproine Bathocuproine disulfonic acid Dithizone Neocuproine Cuprizone
Cyanide Fluoride Gallium
Germanium Gold
4-(2-pyridylazo)resorcinol + Tetradecyldimethylbenzylammonium chloride Barbituric Acid + Pyridine Barbituric Acid + Pyridine-4-carboxylic acid Alizarin Fluorine blue + Lanthanum(III) ion Eriochrome Cyanine R + Zirconium(IV) ion Pyrocatechol violet + Diphenylguanidine 8-Hydroxyquinoline 1-(2-Pyridylazo)-2-naphthol 4-(2-Pyridylazo)resorcinol Rhodamine B Xylenol Orange Xylenol Orange + 8-Hydroxyquinoline Brilliant Green + Molybdate Phenylfluorone 5-(4-Diethylaminobenzylidene) rhodanine Rhodamine B
Hafnium Indium
Iodide Iodine Iridium Iron
Arsenazo III Bromopyrogallol Red Chrome Azurol S Chrome Azurol S + Cetyltrimethylammonium bromide Dithizone 8-Hydroxyquinoline 1-(2-Pyridylazo)-2-naphthol 4-(2-Pyridylazo)resorcinol Neocuproine + Copper(II) Starch Rhodamine 6G + Tin(II) N,N-Dimethyl-4-nitrosoaniline Bathophenanthroline Bathophenanthroline disulfonic acid
Section 8.indb 9
8-9
Ref. Fries/Getrost, p 93. (2), Marczenko, p 220. (3), Onishi, Part IIa, p 383. (7) Boltz, p 92. (1), Fries/Getrost, p 101. (2), Snell, Nonmetals, p 225. (9), Analyst, 90, 187, (1965). Fries/Getrost, p 105. (2), Onishi, Part IIa, p 412. (5), Snell, Metals I, p 714. (7), West, p 12. (10) Snell, Metals I, p 736. (7), West, p 17. (10) West, p 17. (10), Anal. Chim. Acta, 67, 297, (1973). Fres. Z. Anal. Chem., 304, 382, (1980). Fries/Getrost, p 118. (2), Onishi, Part IIa, p 454. (5), Snell, Metals I, p 953. (7) Fries/Getrost, p 111. (2), Marczenko, p 246. (3), Snell, Metals I, p 947. (5) Fries/Getrost, p 113. (2), Onishi, Part IIa, p 459. (5), Snell, Metals I, p 949. (7), West, p 45. (10) Snell, Metals I, p 969. (7), West, p 44. (10) Zh. Anal. Khim., 35, 1306, (1980). Fries/Getrost, p 135. (2), Snell, Metals I, p 148. (7) Fries/Getrost, p 137. (2), West, p 52. (10) Marczenko, p 258. (3), Onishi, Part IIa, p 529. (5), Snell, Metals I, p 199. (7) Snell, Metals I, p 217. (5), West, p 51. (10) Onishi, Part IIa, p 534. (5), Snell, Metals I, p 157. (7), West, p 53. (10) Anal. Chim. Acta, 138, 321, (1982). Fries/Getrost, p 153. (2), Snell, Nonmetals, p 653. (9) Anal. Chim. Acta, 99, 197, (1978). Boltz, p 129. (1), Fries/Getrost, p 158. (2), Snell, Nonmetals, p 333. (9), Williams, p 354. (11) Boltz, p 119. (1), Snell, Nonmetals, p 359. (2), Williams, p 357. (11) Snell, Metals I, p 500. (7) Onishi Pt IIa, p 582. (5), Snell, Metals I, p 505. (7) Snell, Metals I, p 512. (7) Snell, Metals I, p 513. (7) Marczenko, p 284. (3), Onishi, Part IIa, p 578. (5), Snell, Metals I, p 515. (7) Fries/Getrost, p 166. (2), Snell, Metals I, p 523. (7) Zh. Anal. Khim., 26, 75, (1971). Snell, Metals I, p 562. (7) Fries/Getrost, p 168. (2), Marczenko, p 292. (3), Onishi, Part IIa, p 607. (5), Snell, Metals I, p 570. (7) Fries/Getrost, p 173. (2), Onishi, Part IIa, p 631. (5), Snell, Metals II, p 1516. (8) Fries/Getrost, p 175. (2), Marczenko, p 301. (3), Onishi, Part IIa, p 637. (5), Snell, Metals II, p 513. (8) Snell, Metals II, p 1184. (8), Talanta, 19, 807, (1972). Snell, Metals I, p 469. (7) Snell, Metals I, p 474. (7) Anal. Chim. Acta, 67, 107, (1973). Fries/Getrost, p 179. (2), Onishi, Part IIa, p 672. (5), Snell, Metals I, p 474. (7) Onishi, Part IIa, p 670. (5), Snell, Metals I, p 475. (7) Snell, Metals I, p 480. (7) Marczenko, p 309. (3), Snell, Metals I, p 480. (7) Anal. Chim. Acta, 69, 321, (1974). Boltz, p 162. (1), Marczenko, p 316. (3), Snell, Nonmetals, p 307. (9) Marczenko, p 323. (3) Anal. Chem., 27, 1776, (1955). Fries/Getrost, p 189. (2), Onishi, Part IIa, p 729. (5), Snell, Metals I, p 763. (7) Fries/Getrost, p 191. (2), Snell, Metals I, p 772. (7)
4/30/05 8:46:10 AM
Organic Analytical Reagents for the Determination of Inorganic Substances
8-10 Determination
Reagents 2,2´-Bipyridyl Chrome Azurol S + Cetyltrimethylammonium bromide 1,10-Phenanthroline
Lanthanum Lead
1,10-Phenanthroline + Bromothymol Blue Ferrozine Arsenazo III Dithizone Sodium diethyldithiocarbamate 4-(2-Pyridylazo)resorcinol
Lithium
Thoron
Magnesium
Eriochrome Black T 8-Hydroxyquinoline 8-Hydroxyquinoline + Butylamine Titan Yellow Xylidyl Blue
Manganese
Formaldoxime
Mercury
Dithizone
Molybdenum
Michler’s thioketone Xylenol Orange Bromopyrogallol Red + Cetylpyridium chloride Phenylfluorone Toluene-3,4-dithiol
Nickel
2-(5-Bromo-2-pyridylazo)-5-diethylaminophenol Dimethylglyoxime Dimethylglyoxime + Oxidant 2,2´-Furildioxime 2-(2-Pyridylazo)-2-naphthol 4-(2-Pyridylazo)resorcinol
Niobium
Nitrate
N-Benzoyl-N-phenylhydroxylamine Pyrocatechol + EDTA or 2,2´Bipyridyl or 1-(2-thenoyl)3,3,3,-trifluoroacetone Bromopyrogallol red Bromopyrogallol red + Cetylpyridinium chloride 4-(2-Pyridylazo)resorcinol Sulfochlorophenol S Xylenol Orange Brucine Chromotropic acid
Nitrite
Sulfanilamide + N-(1-Naphthyl)ethylenediamine dihydrochloride Sulfanilamide + N-(1-Naphthyl)ethylenediamine dihydrochlorine Sulfanilic acid + 1-Naphthylamine
Osmium Palladium
1,5-Diphenylcarbazide 2-(5 Bromo-2-pyridylazo)-5-diethylaminophenol
Section 8.indb 10
Ref. Snell, Metals I, p 750. (7) Snell, Metals I, p 757. (7), Coll. Czech. Chem. Comm., 45, 2656, (1980). Fries/Getrost, p 199. (2), Marczenko, p 331. (3), Onishi, Part IIa, p 725. (5), Snell, Metals I, p 795. (7) Zh. Anal. Khim., 25, 1348, (1970). Onishi, Part IIa, p 730. (5), Snell, Metals I, p 783. (7) Marczenko, p 468. (3), Snell, Metals II, p 1910. (8) Fries/Getrost, p 207. (2), Onishi, Part IIa, p 824. (5), Snell, Metals I, p 2. (7), West, p 34. (10) Fries/Getrost, p 214. (2), Snell, Metals I, p 27. (7) Fries/Getrost, p 220. (2), Marczenko, p 347. (3), Snell, Metals I, p 34. (7) Onishi, Part IIa, p 863. (5), Snell, Metals II, p 1726. (8), Talanta, 30, 587, (1983). Fries/Getrost, p 226. (2), Marczenko, p 355. (3), Onishi, Part IIb, p 13. (6), Snell, Metals II, p 1932. (8) Onishi, Part IIb, p 11. (6), Snell, Metals II, p 1938. (8) Fries/Getrost, p 228. (2), Snell, Metals II, p 1938. (8) Fries/Getrost, p 234. (2), Marczenko, p 352. (3), Snell, Metals II, p 1945. (8) Fries/Getrost, p 231. (2), Onishi, Part IIb, p 14. (6), Snell, Metals II, p 1950. (8) Fries/Getrost, p 236. (2), Marczenko, p 364. (3), Onishi Part IIb, p 38. (6), Snell, Metals II, 1010. (8) Fries/Getrost, p 243. (2), Marczenko, p 373. (3), Onishi, Part IIb, p 66. (6), Snell, Metals I, p 107. (7), West, p 29. (10) Marczenko, p 375. (3), Snell, Metals I, p 126. (7) Talanta, 16, 1023, (1969) West, p 58. (10) Snell, Metals II, p 1311. (8), Microchem. J., 31, 56, (1985). Fries/Getrost, p 251. (2), Marczenko, p 384. (3), Onishi, Part IIb, p 96. (6), Snell, Metals II, p 1301. (8) Marczenko, p 397. (3), Talanta 28, 189, (1981). Fries/Getrost, p 263. (2), Marczenko, p 393. (3), Onishi, Part IIb, p 125. (6), Snell, Metals I, p 887. (7) Fries/Getrost, p 263. (2), Onishi, Part IIb, p 125. (6), Snell, Metals I, p 887. (7) Marczenko, p 396. (3), Snell, Metals I, p 904. (7) Snell, Metals I, p 910. (7) Snell, Metals I, p 911. (7), West, p 39. (10), Anal. Chim. Acta, 82, 431, (1976). Snell, Metals II, p 1425. (8) Snell, Metals II, p 1427. (8) Marczenko, p 407. (3), Snell, Metals II, p 1426. (8) Talanta, 32, 189, (1985). Fries/Getrost, p 274. (2), Marczenko, p 406. (3), Onishi, Part IIb, p 160. (7), Snell, Metals II, p 1447. (8) Onishi, Part IIb, p 161. (7), Snell, Metals II, p 1430. (8) Onishi, Part IIb, p 164. (7) Boltz, p 227. (1), Fries/Getrost, p 280. (2), Snell, Nonmetals, p 546. (9) Boltz, p 229. (1), Fries/Getrost, p 281. (2), Snell, Nonmetals, p 548. (9), Williams, p 132. (11), Fres. Z. Anal. Chem., 320, 490, (1985). Fries/Getrost, p 279. (2), Snell, Nonmetals, p 559. (9) Boltz, p 241. (1), Snell, Nonmetals, p 585. (8), Analyst, 109, 1281, (1984). Boltz, p 237. (1), Fries/Getrost, p 285. (2), Marczenko, p 419. (3), Snell, Nonmetals, p 586. (9) Marczenko, p 428. (3) Talanta, 33, 939, (1986).
4/30/05 8:46:10 AM
Organic Analytical Reagents for the Determination of Inorganic Substances Determination
Dithizone
Reagents
2-Nitroso-1-naphthol Phosphate Platinum
Rare Earths
4-(2-Pyridylazo)resorcinol Rhodamine B + Molybdate Malachite Green + Molybdate Sulfochlorophenolazorhodamine Dithizone 2-Mercaptobenzothiazole Arsenazo I Arsenazo III
Rhenium Rhodium Ruthenium
Scandium
Xylenol Orange 2,2´-Furildioxime 1-(2-Pyridylazo)-2-naphthol 1,10-Phenanthroline Thiourea 1,4-Diphenylthiosemicarbazide Alizarin red S Arsenazo III Chrome Azurol S Xylenol Orange
Selenium
3,3´-Diaminobenzidine
Silver
2,3-Diaminonaphthaline Dithizone
Sulfate Sulfide
Eosin + 1,10-Phenanthroline Methylthymol blue + Barium (II) N,N,-Dimethyl-1,4-phenylenediamine
Sulfite
Pararosaniline + Formaldehyde
Tantalum
Tellurium
Methyl Violet 4-(2-Pyridylazo)resorcinol Phenylfluorone Diethyldithiocarbamate
Thallium
Bismuthiol II Brilliant green Dithizone Rhodamine B
Thorium
Arsenazo III Thoron
Tin
Section 8.indb 11
Xylenol Orange Xylenol Orange + Cetyltrimethylammonium bromide Pyrocatechol violet (and + Cetyltrimethylammonium bromide) Gallein Phenylfluorone
8-11
Ref. Marczenko, p 440. (3), Onishi, Part IIb, p 227. (6), Snell, Metals II, p 1577. (8) Fries/Getrost, p 294. (2), Onishi, Part IIb, p 226. (6), Snell, Metals II, p 1581. (8) Snell, Metals II, p 1583. (8) Analyst, 107, 708, (1982). Snell, Nonmetals, p 103. (9) Snell, Nonmetals, p 12. (9), Analyst, 108, 361, (1983). Onishi, Part IIb, p 253. (6), Talanta, 34, 87, (1987). Fries/Getrost, p 300. (2), Onishi, Part IIb, p 253. (6), Snell, Metals II, p 1534. (8) Fries/Getrost, p 302. (2), Zh. Anal. Khim., 24, 1172, (1969). Marczenko, p 470. (3), Onishi, Part IIa, p 785. (5), Snell, Metals II, p 1857. (8) Fries/Getrost, p 309. (2), Marczenko, p 468. (3), Onishi, Part IIa, p 786. (5), Snell, Metals II, p 1862. (8) Onishi, Part IIa, p 787. (5), Snell, Metals II, p 1874. (8) Fries/Getrost, p 310. (2), Marczenko, p 481. (3), Onishi, Part IIb, p 288. (6), Snell, Metals II, p 1659. (8) Fries/Getrost, p 311. (2), Snell, Metals II, p 1553. (8) Onishi, Part IIb, p 331. (6), Snell, Metals II, p 1623. (8) Fries/Getrost, p 318. (2), Onishi, Part IIb, 329. (6), Snell, Metals II, p 1626. (8) Marczenko, p 493. (3), Onishi, Part IIb, p 330. (8) Fries/Getrost, p 319. (2), Onishi, Part IIb, p 360. (6), Snell, Metals I, p 536. (7) Onishi, Part IIb, p 359. (6), Snell, Metals I, p 539. (7) Snell, Metals I, p 551. (7), Anal. Chim. Acta, 159, 309, (1984). Marczenko, p 501. (3), Onishi, Part IIb, p 357. (6), Snell, Metals I, p 547. (7) Boltz, p 391. (1), Fries/Getrost, p 323. (2), Marczenko, p 508. (3), Snell, Nonmetals, p 490. (9), West, p 4. (10). Snell, Nonmetals, p 501. (9) Fries/Getrost, p 328. (2), Marczenko, p 524. (3), Onishi, Part IIb, p 379. (6), Snell, Metals I, p 82. (7) Snell, Metals I, p 93. (7) Snell, Nonmetals, p 457. (9) Boltz, p 483. (1), Fries/Getrost, p 344. (2), Snell, Nonmetals, p 400. (9), Williams, p 578. (11) Boltz, p 478. (1), Marczenko, p 540. (3), Snell, Nonmetals, p 430. (9), Williams, p 591. (11) Marczenko, p 551. (3), Snell, Metals II, p 1485. (8) Snell, Metals II, p 1488. (8) Onishi, Part IIb, p 166. (6), Snell, Metals II, p 1486. (8) Boltz, p 402. (1), Fries/Getrost, p 348. (2), Snell, Nonmetals, p 533. (9), Williams, p 220. (10) Boltz, p 401. (1), Marczenko, p 557. (3), Snell, Nonmetals, p 524. (9) Fries/Getrost, p 352. (2), Marczenko, p 567. (3), Onishi, Part IIb, p 426. (6), Snell, Metals I, p 45. (7) Fries/Getrost, p 355. (2), Onishi, Part IIb, p 426. (6), Snell, Metals I, p 54. (7) Fries/Getrost, p 354. (2), Marczenko, p 566. (3), Onishi, Part IIb, p 424. (6), Snell, Metals I, p 63. (7) Fries/Getrost, p 360. (2), Marczenko, p 575. (3), Onishi, Part IIb, p 460. (6), Snell, Metals II, p 1820. (8) Marczenko, p 574. (3), Onishi, Part IIb, p 463. (6), Snell, Metals I, p 1835. (7) Snell, Metals I, p 1852. (7) Talanta, 26, 499, (1979). Marczenko, p 585. (3), Onishi, Part IIb, p 501. (6), Snell, Metals I, p 422. (7) Onishi, Part IIb, p 507, 510. (6), Snell, Metals I, p 432. (7) Fries/Getrost, p 368. (2), Marczenko, p 582. (3), Onishi, Part IIb, p 497. (6), Snell, Metals I, p 444. (7)
4/30/05 8:46:10 AM
Organic Analytical Reagents for the Determination of Inorganic Substances
8-12 Determination
Reagents Toluene-3,4-dithiol + Dispersant
Titanium
Chromotropic acid Diantipyrinylmethane Tiron
Tungsten
Pyrocatechol Violet Tetraphenylarsonium chloride + Thiocyanate Toluene-3,5-dithiol
Uranium
Arsenazo III 2-(5-Bromo-2-pyridylazo)diethylaminophenol Chlorophosphonazo III 1-(2-Pyridylazo)-2-naphthol
Vanadium
N-Benzoyl-N-phenylhydroxylamine 8-Hydroxyquinoline 4-(2-pyridylazo)resorcinol
Yttrium
Alizarin Red S Arsenazo III Xylenol Orange
Zinc
Dithizone 1-(2-Pyridylazo)-2-naphthol Xylenol Orange Zircon
Zirconium
Alizarin Red S Arsenazo III Pyrocatechol Violet Morin Xylenol Orange
Reviews Sommer, L, Ackermann, G., Thorburn Burns, D., and Savvin, S. B., Pure and Applied Chem., 62, 2147, 1990. Sommer, L., Ackermann, G., and Thorburn Burns, D., Pure and Applied Chem., 62, 2323, 1990) Sommer, L., Komarek, J., and Thorburn Burns, D., Pure and Applied Chem., 64, 213, 1992. Savvin, S. B., Crit. Rev. Anal. Chem., 8, 55, 1979.
Monographs 1. Boltz, D. F., and Howell, J. A., Colorimetric Determination of Nonmetals, 2nd ed, Wiley, New York, 1978. 2. Fries, J. and Getrost, H., Organic Reagents for Trace Analysis, E Merck, Darmstadt, 1977. 3. Marczenko, Z., Separation and Spectrophotometric Determination of Elements, Ellis Horwood, Chichester, 1986.
Section 8.indb 12
Ref. Fries/Getrost, p 366. (2), Onishi, Part IIb, p 502. (6), Snell, Metals I, p 427. (7) Marczenko, p 593. (3), Onishi, Part IIb, p 551. (6), Snell, Metals II, p 1080. (8) Onishi, Part IIb, p 545. (6), Snell, Metals II, 1085. (8) Fries/Getrost, p 376. (2), Onishi, Part IIb, p 549. (6), Snell, Metals II, p 1114. (8) Snell, Metals II, p 1265. (8) Onishi, Part IIb, p 596. (6), Snell, Metals II, p 1278. (8) Marczenko, p 605. (3), Onishi, Part IIb, p 590. (6), Snell, Metals II, p 1267. (8) Marczenko, p 611. (3), Onishi, Part IIb, p 627. (6), Snell, Metals II, p 1356. (8) Fries/Getrost, p 388. (2), Onishi, Part IIb, p 625. (6) Snell, Metals II, p 1367. (8), Fres. Z. Anal. Chem., 306, 110, (1981). Fries/Getrost, p 386. (2), Onishi, Part IIb, p 625. (6), Snell, Metals II, p 1387. (8) Fries/Getrost, p 395. (2), Marczenko, p 625. (3), Snell, Metals II, p 1196. (8) Marczenko, p 623. (3), Snell, Metals II, p 1209. (8) Fries/Getrost, p 404. (2), Marczenko, p 628. (3), Onishi, Part IIb, p 625. (6), Snell, Metals II, p 1226. (8) Fries/Getrost, p 406. (2), Onishi, Part IIa, p 784. (5), Snell, Metals II, p 1919. (8) Marczenko, p 468. (3), Onishi, Part IIa, p 786. (5), Snell, Metals II, p 1921. (8) Fries/Getrost, p 406. (2), Onishi, Part IIa, p 787. (5), Snell, Metals II, p 1923. (8) Fries/Getrost, p 408. (2), Marczenko, p 637. (3), Onishi, Part IIb, p 708. (6), Snell, Metals II, p 1042. (8) Marczenko, p 639. (3), Onishi, Part IIb, p 719. (6), Snell, Metals II, p 1056. (8) Fries/Getrost, p 417. (2), Snell, Metals II, p 1062. (8), Talanta, 26, 693, (1979). Fries/Getrost, p 412. (2), Onishi, Part IIb, p 719. (6), Snell, Metals II, p 1063. (8), West, p 23. (10) Fries/Getrost, p 421. (2), Marczenko, p 647. (3), Onishi, Part IIb, p 763. (6), Snell, Metals II, p 1136. (8) Fries/Getrost, p 421. (2), Onishi, Part IIb, p 770. (6), Snell, Metals II, p 1143. (8) Onishi, Part IIb, p 771. (6), Snell, Metals II, p 1149. (8) Fries/Getrost, p 424. (2), Onishi, Part IIb, p 765. (6), Snell, Metals II, p 1158. (8) Fries/Getrost, p 419. (2), Marczenko, p 648. (3), Onishi, Part IIb, p 767. (6), Snell, Metals II, p 1167. (8) 4. Sandell, E. B. and Onishi, H., Photometric Determination of Traces of Metals. General Aspects, Part I, 4th ed, J. Wiley, New York, 1978. 5. Onishi, H., Photometric Determination of Traces of Metals. Part IIa: Individual Metals, Aluminium to Lithium, 4th ed, J. Wiley, New York, 1986. 6. Onishi, H., Photometric Determination of Traces of Metals. Part IIb: Individual Metals, Magnesium to Zinc, 4th ed, J. Wiley, New York, 1989. 7. Snell, F. D., Photometric and Fluorimetric Methods of Analysis, Metals Part 1, J. Wiley, New York, 1978. 8. Snell, F. D., Photometric and Fluorimetric Methods of Analysis, Metals Part 2, J. Wiley, New York, 1978. 9. Snell, F. D., Photometric and Fluorimetric Methods of Analysis, Nonmetals, J. Wiley, New York, 1981. 10. West, T. S. and NĂźrnberg, H. W., Eds., The Determination of Trace Metals in Natural Waters, Blackwell, Oxford, 1988. 11. Williams, W. J., Handbook of Anion Determination, Butterworth, London, 1979. 12. Townshend, A., Burns, D. T., Guilbault, G. G., Lobinski, R., Marczenko, Z., Newman, E., and Onishi, H., Dictionary of Analytical Reagents, Chapman & Hall, London, 1993.
4/30/05 8:46:11 AM
ACID-BASE INDICATORS A. K. Covington The first part of this table lists some common acid-base indicators in alphabetical order along with the approximate pH range(s) at which a color change occurs. Following this is a table of the same indicators ordered by pH range, which includes the nature of the color change, instructions on preparation of the indicator solution, and the acid dissociation constant pK, when available.
The color code is: C = colorless Pk = pink R = red O = orange
A = amber Y = yellow B = blue
B/G = blue-green V = violet P = purple
Reference Bishop, E., Ed., Indicators, Pergamon, Oxford, 1972. Indicator Alizarin Alizarin Red S Alizarin Yellow R Benzopurpurine 4B 4,4’-Bis(2-amino-1naphthylazo)-2,2’stilbenedisulfonic acid 4,4’-Bis(4-amino-1naphthylazo)-2,2’stilbenedisulfonic acid Brilliant Yellow Bromocresol Green Bromocresol Purple Bromophenol Blue Bromothymol Blue Chlorophenol Red Clayton Yellow Congo Red o-Cresolphthalein Cresol Red Crystal Violet Curcumin (Turmaric) p-(2,4-Dihydroxyphenylazo) benzenesulfonic acid, sodium salt p-Dimethylaminoazobenzene 4-(4-Dimethylamino-1-naphylazo)-3methoxybenzenesulfonic acid 2-(p-Dimethylamino-phenylazo)pyridine N,N-Dimethyl-p-(m-tolylazo)aniline 2,4-Dinitrophenol 2-(2,4 Dinitrophenylazo)-1-naphthol-3,6disulfonic acid, disodium salt 6,8-Dinitro-2,4-(1H)quinazolinedione Erythrosin, disodium salt 4-(p-Ethoxyphenylazo)-m-phenylene-diamine monohydrochloride
pH Range 5.6-7.2; 11.0-12.4 4.6-6.0 10.1-12.0 2.2-4.2 3.0-4.0 8.0-9.0 6.6-7.8 3.8-5.4 5.2-6.8 3.0-4.6 6.0-7.6 5.2-6.8 12.2-13.2 3.0-5.0 8.2-9.8 0.0-1.0; 7.0-8.8 0.0-1.8 7.4-8.6 11.4-12.6 2.8-4.4 3.5-4.8 0.2-1.8; 4.4-5.6 2.6-4.8 2.0-4.7 6.0-7.0 6.4-8.0 2.2-3.6
Indicator Ethyl bis(2,4-dimethylphenyl)ethanoate Ethyl Orange Ethyl Red Ethyl Violet 5,5’-Indigodisulfonic acid, disodium salt Malachite Green Metacresol Purple Metanil Yellow Methyl Green Methyl Orange Methyl Red Methyl Violet p-Naphtholbenzein Neutral Red p-Nitrophenol m-Nitrophenol Orange IV Paramethyl Red Phenolphthalein Phenol Red 4-Phenylazodiphenylamine 4-Phenylazo-1-naphthylamine Propyl Red Quinaldine Red Resazurin Resorcin Blue Tetrabromophenolphthalein ethyl ester, potassium salt Thymol Blue Thymolphthalein 4-o-Tolylazo-o-toluidine 1,3,5-Trinitrobenzene 2,4,6-Trinitrotoluene Turmaric
pH Range 8.4-9.6 3.4-4.8 4.0-5.8 0.0-2.4 11.4-13.0 0.2-1.8 1.2-2.8; 7.4-9.0 1.2-2.4 0.2-1.8 3.2-4.4 4.8-6.0 0.0-1.6 8.2-10.0 6.8-8.0 5.4-6.6 6.8-8.6 1.4-2.8 1.0-3.0 8.2-10.0 6.6-8.0 1.2-2.6 4.0-5.6 4.8-6.6 1.4-3.2 3.8-6.4 4.4-6.2 3.0-4.2 1.2-2.8; 8.0-9.6 9.4-10.6 1.4-2.8 12.0-14.0 11.5-13.0 7.4-8.6
4.4-5.8
8-15
Section 8.indb 15
4/30/05 8:46:12 AM
Acid-Base Indicators
8-16
Section 8.indb 16
pH range 0.0-1.0 0.0-1.6 0.0-1.8 0.0-2.4 0.2-1.8 0.2-1.8 0.2-1.8 1.0-3.0 1.2-2.4 1.2-2.6 1.2-2.8 1.2-2.8 1.4-2.8 1.4-2.8 1.4-3.2 2.0-4.7 2.2-3.6 2.2-4.2 2.6-4.8 2.8-4.4 3.0-4.0
Color change R-Y Y-B Y-B Y-B Y-B/G Y-B Y-R R-Y R-Y R-Y R-Y R-Y R-Y O-Y C-R C-Y O-R V-R R-Y R-Y P-R
3.0-4.2
Y-B
3.0-4.6 3.0-5.0 3.2-4.4 3.4-4.8 3.5-4.8
Y-B B-R R-Y R-Y V-Y
3.8-5.4 3.8-6.4 4.0-5.6 4.0-5.8 4.4-5.6 4.4-5.8
Y-B O-V R-Y C-R R-Y O-Y
4.4-6.2 4.6-6.0 4.8-6.0 4.8-6.6 5.2-6.8 5.2-6.8 5.4-6.6 5.6-7.2 6.0-7.0
R-B Y-R R-Y R-Y Y-P Y-R C-Y Y-R Y-B
6.0-7.6 6.4-8.0 6.6-7.8 6.6-8.0 6.8-8.0 6.8-8.6 7.0-8.8 7.4-8.6 7.4-9.0 8.0-9.0
Y-B C-Y Y-R Y-R R-A C-Y Y-R Y-R Y-P B-R
8.0-9.6 8.2-10.0
Y-B O-B
Indicator Cresol Red Methyl Violet Crystal Violet Ethyl Violet Malachite Green Methyl Green 2-(p-Dimethylaminophenylazo)pyridine Paramethyl Red Metanil Yellow 4-Phenylazodiphenylamine Thymol Blue Metacresol Purple Orange IV 4-o-Tolylazo-o-toluidine Quinaldine Red 2,4-Dinitrophenol Erythrosin, disodium salt Benzopurpurine 4B N,N-Dimethyl-p-(m-tolylazo)aniline p-Dimethylaminoazobenzene 4,4’-Bis(2-amino-1-naphthylazo)-2,2’stilbenedisulfonic acid Tetrabromophenolphthalein ethyl ester, potassium salt Bromophenol Blue Congo Red Methyl Orange Ethyl Orange 4-(4-Dimethylamino-1-naphylazo)-3methoxybenzenesulfonic acid Bromocresol Green Resazurin 4-Phenylazo-1-naphthylamine Ethyl Red 2-(p-Dimethylaminophenylazo)pyridine 4-(p-Ethoxyphenylazo)-m-phenylenediamine monohydrochloride Resorcin Blue Alizarin Red S Methyl Red Propyl Red Bromocresol Purple Chlorophenol Red p-Nitrophenol Alizarin 2-(2,4-Dinitrophenylazo)-1-naphthol-3,6disulfonic acid, disodium salt Bromothymol Blue 6,8-Dinitro-2,4-(1H)quinazolinedione Brilliant Yellow Phenol Red Neutral Red m-Nitrophenol Cresol Red Turmaric (Curcumin) Metacresol Purple 4,4’-Bis(4-amino-1-naphthylazo)-2,2’stilbenedisulfonic acid Thymol Blue p-Naphtholbenzein
pK
1.3
1.65 1.51
2.63 3.96
Preparation 0.1 g in 26.2 mL 0.01 M NaOH + 223.8 mL water 0.01-0.05% in water 0.02% in water 0.1 g in 50 mL 50% v/v methanol-water water 0.1% in water 0.1% in ethanol ethanol 0.01% in water 0.01 g in 1 mL 1 M HCl + 50 mL ethanol + 49 mL water 0.1 g in 21.5 mL 0.01 M NaOH + 228.5 mL water 0.1 g in 26.2 mL 0.01 M NaOH + 223.8 mL water 0.01% in water water 1% in ethanol sat. solution in water 0.1% in water 0.1% in water 0.1% in water 0.1 g in 100 mL 90% v/v ethanol-water 0.1 g in 5.9 mL 0.05 M NaOH + 94.1 mL water 0.1% in ethanol
4.10 3.46 4.34 4.90
5.42
5.00 5.48 6.40 6.25 7.15
7.30
8.00 8.28 8.46 8.3 9.20
0.1 g in 14.9 mL 0.01 M NaOH + 235.1 mL water 0.1% in water 0.1% in water 0.05-0.2% in water or aqueous ethanol 0.1% in 60% ethanol-water 0.1 g in 14.3 mL 0.01 M NaOH + 235.7 mL water water 0.1% in ethanol 0.1 g in 100 mL 50% v/v methanol-water 0.1% in ethanol 0.1% in ethanol 0.1% in water 0.2% in ethanol water 0.02 g in 100 mL 60% v/v ethanol-water ethanol 0.1 g in 18.5 mL 0.01 M NaOH + 231.5 mL water 0.1 g in 23.6 mL 0.01 M NaOH + 226.4 mL water 0.1% in water 0.1% in methanol 0.1% in water 0.1 g in 16 mL 0.01 M NaOH + 234 mL water 25 g in 115 mL 1 M NaOH + 50 mL water at 100°C 1% in water 0.1 g in 28.2 mL 0.01 M NaOH + 221.8 mL water 0.01 g in 100 mL 50% v/v ethanol-water 0.3% in water 0.1 g in 26.2 mL 0.01 M NaOH + 223.8 mL water ethanol 0.1 g in 26.2 mL 0.01 M NaOH + 223.8 mL water 0.1 g in 5.9 mL 0.05 M NaOH + 94.1 mL water 0.1 g in 21.5 mL 0.01 M NaOH + 228.5 mL water 1% in dil. alkali
4/30/05 8:46:13 AM
Acid-Base Indicators
Section 8.indb 17
pH range 8.2-10.0 8.2-9.8 8.4-9.6 9.4-10.6 10.1-12.0 11.0-12.4 11.4-12.6
Color change C-Pk C-R C-B C-B Y-R R-P Y-O
11.4-13.0 11.5-13.0 12.0-14.0 12.2-13.2
B-Y C-O C-O Y-A
8-17 Indicator Phenolphthalein o-Cresolphthalein Ethyl bis(2,4-dimethylphenyl)ethanoate Thymolphthalein Alizarin Yellow R Alizarin p-(2,4-Dihydroxyphenylazo) benzenesulfonic acid, sodium salt 5,5â&#x20AC;&#x2122;-Indigodisulfonic acid, disodium salt 2,4,6-Trinitrotoluene 1,3,5-Trinitrobenzene Clayton Yellow
pK 9.5
Preparation 0.5 g in 100 mL 50% v/v ethanol-water 0.04% in ethanol sat. solution in 50% acetone-ethanol 0.04 g in 100 mL 50% v/v ethanol-water 0.01% in water 0.1% in methanol 0.1% in water water 0.1-0.5% in ethanol 0.1-0.5% in ethanol 0.1% in water
4/30/05 8:46:13 AM
FLUORESCENT INDICATORS Jack DeMent Fluorescent indicators are substances which show definite changes in fluorescence with change in pH. Some fluorescent materials are not suitable for indicators since their change in fluorescence is too gradual. Fluorescent indicators find greatest utility in the titration of opaque, highly turbid or deeply colored solutions. A long wavelength ultraviolet (“black light”) lamp in a dimly lighted room provides the best environment for titrations involving fluorescent indictors, although bright daylight is sometimes sufficient to evoke a response in the bright green, yellow and orange fluores-
cent indicators. Titrations are carried out in non-fluorescent glassware. One should check the glassware prior to use to make certain that it does not fluoresce due to the wavelengths of light involved in the titration. The meniscus of the liquid in the burette can be followed when a few particles of an insoluble fluorescent solid are dropped onto its surface. In this table the indicators are arranged by approximate pH range covered. In the case of some of the dyestuffs the end point may vary slightly with the source or manufacturer.
Indicator Benzoflavine 3,6-Dioxyphthalimide Eosine YS Erythrosine Esculin 4-Ethoxyacridone 3,6-Tetramethyldiaminooxanthone
C.I. — — 768 772 — — —
pH 0 to 2 From pH 0.3, yellow fl. 0, blue fl. 0,yellow colored 0, yellow colored 1.5, colorless 1.2, green fl. 1.2, green fl.
To pH 1.7, green fl. 2.4, green fl. 3.0, yellow fl. 3.6, yellow fl. 2, blue fl. 3.2, blue fl. 3.4, blue fl.
Chromotropic acid Fluorescein Magdala Red α-Naphthylamine β-Naphthylamine Phloxine Salicylic acid
— 766 — — — 774 —
pH 2 to 4 3.5, colorless 4, colorless 3.0, purple colored 3.4, colorless 2.8, colorless 3.4, colorless 2.5, colorless
4.5, blue fl 4.5, green fl. 4.0, fl 4.8, blue fl. 4.4, violet fl. 5.0, bright yellow fl. 3.5, blue fl.
Acridine Dichlorofluorescein 3,6-Dioxyxanthone Erythrosine β-Methylesculetin Neville-Winther acid Resorufin Quininic acid Quinine [first end point]
788 — — 772 — — — — —
pH 4 to 6 4.9, green fl. 4.0, colorless 5.4, colorless 4.0, colorless 4.0, colorless 6.0, colorless 4.4, yellow fl 4.4, yellow colored 5.0, blue fl.
5.1, violet colored 5.0, green fl. 7.6, blue-violet fl. 4.5, yellow-green fl. 6.2, blue fl 6.5, blue fl. 6.4, weak orange fl. 5.0, blue fl. 6.1, violet fl.
Acid R Phosphine Brilliant Diazol Yellow Cleves acid Coumaric acid 3,6-Dioxyphthalic dinitrile Magnesium 8-hydrozyquinolinate β-Methylumbelliferone 1-Naphthol-4-sulfonic acid Orcinaurine Patent Phosphine Thioflavine Umbelliferone
— — — — — — — — — 789 816 —
Acridine Orange Ethoxyphenylnaphthostilbazonium chloride
788 —
pH 6 to 8
(claimed for range pH 6.0–7.0) 7.5, violet, fl. 6.5, colorless 7.5, green fl. 6.5, colorless 9.0, green fl. 7.2, colorless 8.2, green fl. 5.8, blue fl. 7.5, golden fl. 6.5, colorless 7.5, blue fl. 7.0, colorless 6.5, blue fl. 6.0, colorless 8.0, green fl. 6.5, colorless (for the range pH 6.0–7.0, green-yellow fl.) (for the region pH 6.5–7.0, yellow fl.) 7.6, blue fl. 6.5, colorless
pH 8 to 10 8.4, orange colored 9, green fl.
10.4, green fl. 11, non-fl.
8-18
Section 8.indb 18
4/30/05 8:46:14 AM
Fluorescent Indicators
8-19
G Salt Naphthazol derivatives α-Naphthionic acid 2-Naphthol-3,6-disulfonic acid β-Naphthol α-Naphtholsulfonic acid 1,4-Naphtholsulfonic acid Orcinsulfonphthalein Quinine [second end point] R-Salt Sodium 1-naphthol-2-sulfonate
— — — — — — — — — — —
Courmarin Eosine BN Papaverine (permanganate oxidized) Schaffers Salt SS-Acid (sodium salt)
— 771
Cotarnine α-Naphthionic acid β-Naphthionic acid
— — —
Section 8.indb 19
— — —
9.0, dull blue fl. 8.2, colorless 9, blue fl. 9.5, dark blue fl 8.6, colorless 8.0, dark blue fl. 8.2, dark blue fl. 8.6, yellow colored 9.5, violet fl. 9.0, dull blue fl. 9.0, dark blue fl. pH 10 to 12 9.8, deep green fl. 10.5, colorless 9.5, yellow fl. 5.0, violet fl. 10.0, violet fl. pH 12 to 14 12.0, yellow fl. 12, blue fl. 12, blue fl.
9.5, bright blue fl. 10.0, yellow or green fl. 11, green fl. Light blue fl. at higher pH Blue fl. at higher pH 9.0, bright violet fl. Light blue fl. at higher pH 10.0 fl. 10.0, colorless 9.5, bright blue fl. 10.0, bright violet fl. 12, light green fl. 14.0, yellow fl. 11.0, blue fl. 11.0, green-blue fl. 12.0, yellow-colored 13.0, white fl. 13, green fl. 13, violet fl.
4/30/05 8:46:25 AM
CONVERSION FORMULAS FOR CONCENTRATION OF SOLUTIONS A = Weight percent of solute B = Molecular weight of solvent E = Molecular weight of solute F = Grams of solute per liter of solution Concentration of solute—SOUGHT
Section 8.indb 19
G = Molality M = Molarity N = Mole fraction R = Density of solution in grams per milliliter Concentration of solute—GIVEN
A
G
M
F
100G × E 1000 + G × E
M×E 10 R
F 10 R
—
B×G B × G + 1000
B× M M( B − E ) + 1000 R
B×F F ( B − E ) + 1000 R × E
1000 A E (100 − A)
1000N B−N ×B
—
1000 M 1000 R − ( M × E )
1000 F E (1000 R − F )
M
10R × A E
1000 R × N N × E + (1 − N )B
—
F E
F
10AR
1000 R × N × E N × E + (1 − N )B
M×E
—
A
—
N
A E A 100 − A + E B
G
N 100 N × E N × E + (1 − N )B
1000 R × G 1000 + E × G 1000 R × G × E 1000 + G × E
4/30/05 8:46:25 AM
Electrochemical Series Petr Vanýsek There are three tables for this electrochemical series. Each table lists standard reduction potentials, E° values, at 298.15 K (25°C), and at a pressure of 101.325 kPa (1 atm). Table 1 is an alphabetical listing of the elements, according to the symbol of the elements. Thus, data for silver (Ag) precedes those for aluminum (Al). Table 2 lists only those reduction reactions which have E° values positive in respect to the standard hydrogen electrode. In Table 2, the reactions are listed in the order of increasing positive potential, and they range from 0.0000 V to + 3.4 V. Table 3 lists only those reduction potentials which have E° negative with respect to the standard hydrogen electrode. In Table 3, the reactions are listed in the order of decreasing potential and range from 0.0000 V to –4.10 V. The reliability of the potentials is not the same for all the data. Typically, the values with fewer significant figures have lower
reliability. The values of reduction potentials, in particular those of less common reactions, are not definite; they are subject to occasional revisions. Abbreviations: ac = acetate; bipy = 2,2´-dipyridine, or bipyridine; en = ethylenediamine; phen = 1,10-phenanthroline.
References 1. Milazzo, G., Caroli, S., and Sharma, V. K. Tables of Standard Electrode Potentials, Wiley, Chichester, 1978. 2. Bard, A. J., Parsons, R., and Jordan, J. Standard Potentials in Aqueous Solutions, Marcel Dekker, New York, 1985. 3. Bratsch, S. G. J. Phys. Chem. Ref. Data, 18, 1–21, 1989.
TABLE 1. Alphabetical Listing Reaction Ac3+ + 3 e ⇌ Ac Ag+ + e ⇌ Ag Ag2+ + e ⇌ Ag+ Ag(ac) + e ⇌ Ag + (ac)– AgBr + e ⇌ Ag + Br– AgBrO3 + e ⇌ Ag + BrO3– Ag2C2O4 + 2 e ⇌ 2 Ag + C2O42– AgCl + e ⇌ Ag + Cl– AgCN + e ⇌ Ag + CN– Ag2CO3 + 2 e ⇌ 2 Ag + CO32– Ag2CrO4 + 2 e ⇌ 2 Ag + CrO42– AgF + e ⇌ Ag + F– Ag4[Fe(CN)6] + 4 e ⇌ 4 Ag + [Fe(CN)6]4– AgI + e ⇌ Ag + I– AgIO3 + e ⇌ Ag + IO3– Ag2MoO4 + 2 e ⇌ 2 Ag + MoO42– AgNO2 + e ⇌ Ag + 2 NO2– Ag2O + H2O + 2 e ⇌ 2 Ag + 2 OH– Ag2O3 + H2O + 2 e ⇌ 2 AgO + 2 OH– Ag3+ + 2 e ⇌ Ag+ Ag3+ + e ⇌ Ag2+ Ag2O2 + 4 H+ + e ⇌ 2 Ag + 2 H2O 2 AgO + H2O + 2 e ⇌ Ag2O + 2 OH– AgOCN + e ⇌ Ag + OCN– Ag2S + 2 e ⇌ 2 Ag + S2– Ag2S + 2 H+ + 2 e ⇌ 2 Ag + H2S AgSCN + e ⇌ Ag + SCN– Ag2SeO3 + 2 e ⇌ 2 Ag + SeO42– Ag2SO4 + 2 e ⇌ 2 Ag + SO42– Ag2WO4 + 2 e ⇌ 2 Ag + WO42– Al3+ + 3 e ⇌ Al Al(OH)3 + 3 e ⇌ Al + 3 OH– Al(OH)4– + 3 e ⇌ Al + 4 OH– H2AlO3– + H2O + 3 e ⇌ Al + 4 OH– AlF63– + 3 e ⇌ Al + 6 F– Am4+ + e ⇌ Am3+ Am2+ + 2 e ⇌ Am Am3+ + 3 e ⇌ Am Am3+ + e ⇌ Am2+
8-20
E°/V –2.20 0.7996 1.980 0.643 0.07133 0.546 0.4647 0.22233 –0.017 0.47 0.4470 0.779 0.1478 –0.15224 0.354 0.4573 0.564 0.342 0.739 1.9 1.8 1.802 0.607 0.41 –0.691 –0.0366 0.08951 0.3629 0.654 0.4660 –1.662 –2.31 –2.328 –2.33 –2.069 2.60 –1.9 –2.048 –2.3
Reaction As + 3 H+ + 3 e ⇌ AsH3 As2O3 + 6 H+ + 6 e ⇌ 2 As + 3 H2O HAsO2 + 3 H+ + 3 e ⇌ As + 2 H2O AsO2– + 2 H2O + 3 e ⇌ As + 4 OH– H3AsO4 + 2 H+ + 2 e– ⇌ HAsO2 + 2 H2O AsO43– + 2 H2O + 2 e ⇌ AsO2– + 4 OH– At2 + 2 e ⇌ 2 At– Au+ + e ⇌ Au Au3+ + 2 e ⇌ Au+ Au3+ + 3 e ⇌ Au Au2+ + e – ⇌ Au+ AuOH2+ + H+ + 2 e ⇌ Au+ + H2O AuBr2– + e ⇌ Au + 2 Br– AuBr4– + 3 e ⇌ Au + 4 Br– AuCl4– + 3 e ⇌ Au + 4 Cl– Au(OH)3 + 3 H+ + 3 e ⇌ Au + 3 H2O H2BO3– + 5 H2O + 8 e ⇌ BH4– + 8 OH– H2BO3– + H2O + 3 e ⇌ B + 4 OH– H3BO3 + 3 H+ + 3 e ⇌ B + 3 H2O B(OH)3 + 7 H+ + 8 e ⇌ BH4– + 3 H2O Ba2+ + 2 e ⇌ Ba Ba2+ + 2 e ⇌ Ba(Hg) Ba(OH)2 + 2 e ⇌ Ba + 2 OH– Be2+ + 2 e ⇌ Be Be2O32– + 3 H2O + 4 e ⇌ 2 Be + 6 OH– p–benzoquinone + 2 H+ + 2 e ⇌ hydroquinone Bi+ + e ⇌ Bi Bi3+ + 3 e ⇌ Bi Bi3+ + 2 e ⇌ Bi+ Bi + 3 H+ + 3 e ⇌ BiH3 BiCl4– + 3 e ⇌ Bi + 4 Cl– Bi2O3 + 3 H2O + 6 e ⇌ 2 Bi + 6 OH– Bi2O4 + 4 H+ + 2 e ⇌ 2 BiO+ + 2 H2O BiO+ + 2 H+ + 3 e ⇌ Bi + H2O BiOCl + 2 H+ + 3 e ⇌ Bi + Cl– + H2O Bk4+ + e ⇌ Bk3+ Bk2+ + 2 e ⇌ Bk Bk3+ + e ⇌ Bk2+
E°/V –0.608 0.234 0.248 –0.68 0.560 –0.71 0.3 1.692 1.401 1.498 1.8 1.32 0.959 0.854 1.002 1.45 –1.24 –1.79 –0.8698 –0.481 –2.912 –1.570 –2.99 –1.847 –2.63 0.6992 0.5 0.308 0.2 –0.8 0.16 –0.46 1.593 0.320 0.1583 1.67 –1.6 –2.8
Electrochemical Series Reaction Br2(aq) + 2 e ⇌ 2 Br– Br2(l) + 2 e ⇌ 2 Br– HBrO + H+ + 2 e ⇌ Br– + H2O HBrO + H+ + e ⇌ 1/2 Br2(aq) + H2O HBrO + H+ + e ⇌ 1/2 Br2(l) + H2O BrO– + H2O + 2 e ⇌ Br– + 2 OH– BrO3– + 6 H+ + 5 e ⇌ 1/2 Br2 + 3 H2O BrO3– + 6 H+ + 6 e ⇌ Br– + 3 H2O BrO3– + 3 H2O + 6 e ⇌ Br– + 6 OH– (CN)2 + 2 H+ + 2 e ⇌ 2 HCN 2 HCNO + 2 H+ + 2 e ⇌ (CN)2 + 2 H2O (CNS)2 + 2 e ⇌ 2 CNS – CO2 + 2 H+ + 2 e ⇌ HCOOH Ca+ + e ⇌ Ca Ca2+ + 2 e ⇌ Ca Ca(OH)2 + 2 e ⇌ Ca + 2 OH– Calomel electrode, 1 molal KCl Calomel electrode, 1 molar KCl (NCE) Calomel electrode, 0.1 molar KCl Calomel electrode, saturated KCl (SCE) Calomel electrode, saturated NaCl (SSCE) Cd2+ + 2 e ⇌ Cd Cd2+ + 2 e ⇌ Cd(Hg) Cd(OH)2 + 2 e ⇌ Cd(Hg) + 2 OH– CdSO4 + 2 e ⇌ Cd + SO42– Cd(OH)42– + 2 e ⇌ Cd + 4 OH– CdO + H2O + 2 e ⇌ Cd + 2 OH– Ce3+ + 3 e ⇌ Ce Ce3+ + 3 e ⇌ Ce(Hg) Ce4+ + e ⇌ Ce3+ CeOH3+ + H+ + e ⇌ Ce3+ + H2O Cf4+ + e ⇌ Cf3+ Cf3+ + e ⇌ Cf2+ Cf3+ + 3 e ⇌ Cf Cf2+ + 2 e ⇌ Cf Cl2(g) + 2 e ⇌ 2 Cl– HClO + H + + e ⇌ 1/2 Cl2 + H2O HClO + H+ + 2 e ⇌ Cl– + H2O ClO– + H2O + 2 e ⇌ Cl– + 2 OH– ClO2 + H+ + e ⇌ HClO2 HClO2 + 2 H+ + 2 e ⇌ HClO + H2O HClO2 + 3 H+ + 3 e ⇌ 1/2 Cl2 + 2 H2O HClO2 + 3 H+ + 4 e ⇌ Cl– + 2 H2O ClO2– + H2O + 2 e ⇌ ClO– + 2 OH– ClO2– + 2 H2O + 4 e ⇌ Cl– + 4 OH– ClO2(aq) + e ⇌ ClO2– ClO3– + 2 H+ + e ⇌ ClO2 + H2O ClO3– + 3 H+ + 2 e ⇌ HClO2 + H2O ClO3– + 6 H+ + 5 e ⇌ 1/2 Cl2 + 3 H2O ClO3– + 6 H+ + 6 e ⇌ Cl– + 3 H2O ClO3– + H2O + 2 e ⇌ ClO2– + 2 OH– ClO3– + 3 H2O + 6 e ⇌ Cl– + 6 OH– ClO4– + 2 H+ + 2 e ⇌ ClO3– H2O ClO4– + 8 H+ + 7 e ⇌ 1/2 Cl2 + 4 H2O ClO4– + 8 H+ + 8 e ⇌ Cl– + 4 H2O ClO4– + H2O + 2 e ⇌ ClO3– + 2 OH– Cm4+ + e ⇌ Cm3+ Cm3+ + 3 e ⇌ Cm Co2+ + 2 e ⇌ Co Co3+ + e ⇌ Co2+
8-21 E°/V 1.0873 1.066 1.331 1.574 1.596 0.761 1.482 1.423 0.61 0.373 0.330 0.77 –0.199 –3.80 –2.868 –3.02 0.2800 0.2801 0.3337 0.2412 0.2360 –0.4030 –0.3521 –0.809 –0.246 –0.658 –0.783 –2.336 –1.4373 1.72 1.715 3.3 –1.6 –1.94 –2.12 1.35827 1.611 1.482 0.81 1.277 1.645 1.628 1.570 0.66 0.76 0.954 1.152 1.214 1.47 1.451 0.33 0.62 1.189 1.39 1.389 0.36 3.0 –2.04 –0.28 1.92
Reaction [Co(NH3)6]3+ + e ⇌ [Co(NH3)6]2+ Co(OH)2 + 2 e ⇌ Co + 2 OH– Co(OH)3 + e ⇌ Co(OH)2 + OH– Cr2+ + 2 e ⇌ Cr Cr3+ + e ⇌ Cr2+ Cr3+ + 3 e ⇌ Cr Cr2O72– + 14 H+ + 6 e ⇌ 2 Cr3+ + 7 H2O CrO2– + 2 H2O + 3 e ⇌ Cr + 4 OH– HCrO4– + 7 H+ + 3 e ⇌ Cr3+ + 4 H2O CrO2 + 4 H+ + e ⇌ Cr3+ + 2H2O Cr(V) + e ⇌ Cr(IV) CrO42– + 4 H2O + 3 e ⇌ Cr(OH)3 + 5 OH– Cr(OH)3 + 3 e ⇌ Cr + 3 OH– Cs+ + e ⇌ Cs Cu+ + e ⇌ Cu Cu2+ + e ⇌ Cu+ Cu2+ + 2 e ⇌ Cu Cu2+ + 2 e ⇌ Cu(Hg) Cu3+ + e ⇌ Cu2+ Cu2O3 + 6 H+ + 2e ⇌ 2Cu2+ + 3 H2O Cu2+ + 2 CN– + e ⇌ [Cu(CN)2]– CuI2– + e ⇌ Cu + 2 I– Cu2O + H2O + 2 e ⇌ 2 Cu + 2 OH– Cu(OH)2 + 2 e ⇌ Cu + 2 OH– 2 Cu(OH)2 + 2 e ⇌ Cu2O + 2 OH– + H2O 2 D+ + 2 e ⇌ D2 Dy2+ + 2 e ⇌ Dy Dy3+ + 3 e ⇌ Dy Dy3+ + e ⇌ Dy2+ Er2+ + 2 e ⇌ Er Er3+ + 3 e ⇌ Er Er3+ + e ⇌ Er2+ Es3+ + e ⇌ Es2+ Es3+ + 3 e ⇌ Es Es2+ + 2 e ⇌ Es Eu2+ + 2 e ⇌ Eu Eu3+ + 3 e ⇌ Eu Eu3+ + e ⇌ Eu2+ F2 + 2 H+ + 2 e ⇌ 2 HF F2 + 2 e ⇌ 2 F– F2O + 2 H+ + 4 e ⇌ H2O + 2 F– Fe2+ + 2 e ⇌ Fe Fe3+ + 3 e ⇌ Fe Fe3+ + e ⇌ Fe2+ 2 HFeO4– + 8 H+ + 6 e ⇌ Fe2O3 + 5 H2O HFeO4– + 4 H+ + 3 e ⇌ FeOOH + 2 H2O HFeO4– + 7 H+ + 3 e ⇌ Fe3+ + 4 H2O Fe2O3 + 4 H+ + 2 e ⇌ 2 FeOH+ + H2O [Fe(CN)6]3– + e ⇌ [Fe(CN)6]4– FeO42– + 8 H+ + 3 e Fe3+ + 4 H2O [Fe(bipy)2]3+ + e ⇌ Fe(bipy)2]2+ [Fe(bipy)3]3+ + e ⇌ Fe(bipy)3]2+ Fe(OH)3 + e ⇌ Fe(OH)2 + OH– [Fe(phen)3]3+ + e ⇌ [Fe(phen)3]2+ [Fe(phen)3]3+ + e ⇌ [Fe(phen)3]2+ (1 molar H2SO4) [Ferricinium]+ + e ⇌ ferrocene Fm3++ e ⇌ Fm2+ Fm3+ + 3 e ⇌ Fm Fm2+ + 2 e ⇌ Fm
E°/V 0.108 –0.73 0.17 –0.913 –0.407 –0.744 1.36 –1.2 1.350 1.48 1.34 –0.13 –1.48 –3.026 0.521 0.153 0.3419 0.345 2.4 2.0 1.103 0.00 –0.360 –0.222 –0.080 –0.013 –2.2 –2.295 –2.6 –2.0 –2.331 –3.0 –1.3 –1.91 –2.23 –2.812 –1.991 –0.36 3.053 2.866 2.153 –0.447 –0.037 0.771 2.09 2.08 2.07 0.16 0.358 2.20 0.78 1.03 –0.56 1.147 1.06 0.400 –1.1 –1.89 –2.30
Electrochemical Series
8-22 Reaction Fr+ + e ⇌ Fr Ga3+ + 3 e ⇌ Ga Ga+ + e ⇌ Ga GaOH2+ + H+ + 3 e ⇌ Ga + H2O H2GaO–3 + H2O + 3 e ⇌ Ga + 4 OH– Gd3+ + 3 e ⇌ Gd Ge2+ + 2 e ⇌ Ge Ge4+ + 4 e ⇌ Ge Ge4+ + 2 e ⇌ Ge2+ GeO2 + 2 H+ + 2 e ⇌ GeO + H2O H2GeO3 + 4 H+ + 4 e ⇌ Ge + 3 H2O 2 H+ + 2 e v H2 H2 + 2 e ⇌ 2 H– HO2 + H+ + e ⇌ H2O2 2 H2O + 2 e ⇌ H2 + 2 OH– H2O2 + 2 H+ + 2 e ⇌ 2 H2O Hf4+ + 4 e ⇌ Hf HfO2+ + 2 H+ + 4 e ⇌ Hf + H2O HfO2 + 4 H+ + 4 e ⇌ Hf + 2 H2O HfO(OH)2 + H2O + 4 e ⇌ Hf + 4 OH– Hg2+ + 2 e ⇌ Hg 2 Hg2+ + 2 e ⇌ Hg22+ Hg22+ + 2 e ⇌ 2 Hg Hg2(ac)2 + 2 e ⇌ 2 Hg + 2(ac)– Hg2Br2 + 2 e ⇌ 2 Hg + 2 Br– Hg2Cl2 + 2 e ⇌ 2 Hg + 2 Cl– Hg2HPO4 + 2 e ⇌ 2 Hg + HPO42– Hg2I2 + 2 e ⇌ 2 Hg + 2 I– Hg2O + H2O + 2 e ⇌ 2 Hg + 2 OH– HgO + H2O + 2 e ⇌ Hg + 2 OH– Hg(OH)2 + 2 H+ + 2 e ⇌ Hg + 2 H2O Hg2SO4 + 2 e ⇌ 2 Hg + SO42– Ho2+ + 2 e ⇌ Ho Ho3+ + 3 e ⇌ Ho Ho3+ + e ⇌ Ho2+ I2 + 2 e ⇌ 2 I– I3– + 2 e ⇌ 3 I– H3IO62– + 2 e ⇌ IO–3 + 3 OH– H5IO6 + H+ + 2 e ⇌ IO3– + 3 H2O 2 HIO + 2 H+ + 2 e ⇌ I2 + 2 H2O HIO + H+ + 2 e ⇌ I– + H2O IO– + H2O + 2 e ⇌ I– + 2 OH– 2 IO3– + 12 H+ + 10 e ⇌ I2 + 6 H2O IO3– + 6 H+ + 6 e ⇌ I– + 3 H2O IO3– + 2 H2O + 4 e ⇌ IO– + 4 OH– IO3– + 3 H2O + 6 e ⇌ IO– + 6 OH– In+ + e ⇌ In In2+ + e ⇌ In+ In3+ + e ⇌ In2+ In3+ + 2 e ⇌ In+ In3+ + 3 e ⇌ In In(OH)3 + 3 e ⇌ In + 3 OH– In(OH)4– + 3 e ⇌ In + 4 OH– In2O3 + 3 H2O + 6 e ⇌ 2 In + 6 OH– Ir3+ + 3 e ⇌ Ir [IrCl6]2– + e ⇌ [IrCl6]3– [IrCl6]3– + 3 e ⇌ Ir + 6 Cl– Ir2O3 + 3 H2O + 6 e ⇌ 2 Ir + 6 OH– K+ + e ⇌ K La3+ + 3 e ⇌ La
E°/V –2.9 –0.549 –0.2 –0.498 –1.219 –2.279 0.24 0.124 0.00 –0.118 –0.182 0.00000 –2.23 1.495 –0.8277 1.776 –1.55 –1.724 –1.505 –2.50 0.851 0.920 0.7973 0.51163 0.13923 0.26808 0.6359 –0.0405 0.123 0.0977 1.034 0.6125 –2.1 –2.33 –2.8 0.5355 0.536 0.7 1.601 1.439 0.987 0.485 1.195 1.085 0.15 0.26 –0.14 –0.40 –0.49 –0.443 –0.3382 –0.99 –1.007 –1.034 1.156 0.8665 0.77 0.098 –2.931 –2.379
Reaction La(OH)3 + 3 e ⇌ La + 3 OH– Li+ + e ⇌ Li Lr3+ + 3 e ⇌ Lr Lu3+ + 3 e ⇌ Lu Md3+ + e ⇌ Md2+ Md3+ + 3 e ⇌ Md Md2+ + 2 e ⇌ Md Mg+ + e ⇌ Mg Mg2+ + 2 e ⇌ Mg Mg(OH)2 + 2 e ⇌ Mg + 2 OH– Mn2+ + 2 e ⇌ Mn Mn3+ + e ⇌ Mn2+ MnO2 + 4 H+ + 2 e ⇌ Mn2+ + 2 H2O MnO4– + e ⇌ MnO42– MnO4– + 4 H+ + 3 e ⇌ MnO2 + 2 H2O MnO4– + 8 H+ + 5 e ⇌ Mn2+ + 4 H2O MnO4– + 2 H2O + 3 e ⇌ MnO2 + 4 OH– MnO42– + 2 H2O + 2 e ⇌ MnO2 + 4 OH– Mn(OH)2 + 2 e ⇌ Mn + 2 OH– Mn(OH)3 + e ⇌ Mn(OH)2 + OH– Mn2O3 + 6 H+ + e ⇌ 2 Mn2+ + 3 H2O Mo3+ + 3 e ⇌ Mo MoO2 + 4 H+ + 4 e ⇌ Mo + 4 H2O H3Mo7O243– + 45 H+ + 42 e ⇌ 7 Mo + 24 H2O MoO3 + 6 H+ + 6 e ⇌ Mo + 3 H2O N2 + 2 H2O + 6 H+ + 6 e ⇌ 2 NH4OH 3 N2 + 2 H+ + 2 e ⇌ 2 HN3 N5+ + 3 H+ + 2 e ⇌ 2 NH4+ N2O + 2 H+ + 2 e ⇌ N2 + H2O H2N2O2 + 2 H+ + 2 e ⇌ N2 + 2 H2O N2O4 + 2 e ⇌ 2 NO2– N2O4 + 2 H+ + 2 e ⇌ 2 NHO2 N2O4 + 4 H+ + 4 e ⇌ 2 NO + 2 H2O 2 NH3OH+ + H+ + 2 e ⇌ N2H5+ + 2 H2O 2 NO + 2 H+ + 2 e ⇌ N2O + H2O 2 NO + H2O + 2 e ⇌ N2O + 2 OH– HNO2 + H+ + e ⇌ NO + H2O 2 HNO2 + 4 H+ + 4 e ⇌ H2N2O2 + 2 H2O 2 HNO2 + 4 H+ + 4 e ⇌ N2O + 3 H2O NO2– + H2O + e ⇌ NO + 2 OH– 2 NO2– + 2 H2O + 4 e ⇌ N2O22– + 4 OH– 2 NO2– + 3 H2O + 4 e ⇌ N2O + 6 OH– NO3– + 3 H+ + 2 e ⇌ HNO2 + H2O NO3– + 4 H+ + 3 e ⇌ NO + 2 H2O 2 NO3– + 4 H+ + 2 e ⇌ N2O4 + 2 H2O NO3– + H2O + 2 e ⇌ NO2– + 2 OH– 2 NO3– + 2 H2O + 2 e ⇌ N2O4 + 4 OH– Na+ + e ⇌ Na Nb3+ + 3 e ⇌ Nb NbO2 + 2 H+ + 2 e ⇌ NbO + H2O NbO2 + 4 H+ + 4 e ⇌ Nb + 2 H2O NbO + 2 H+ + 2 e ⇌ Nb + H2O Nb2O5 + 10 H+ + 10 e ⇌ 2 Nb + 5 H2O Nd3+ + 3 e ⇌ Nd Nd2+ + 2 e ⇌ Nd Nd3+ + e ⇌ Nd2+ Ni2+ + 2 e ⇌ Ni Ni(OH)2 + 2 e ⇌ Ni + 2 OH– NiO2 + 4 H+ + 2 e ⇌ Ni2+ + 2 H2O NiO2 + 2 H2O + 2 e ⇌ Ni(OH)2 + 2 OH–
E°/V –2.90 –3.0401 –1.96 –2.28 –0.1 –1.65 –2.40 –2.70 –2.372 –2.690 –1.185 1.5415 1.224 0.558 1.679 1.507 0.595 0.60 –1.56 0.15 1.485 –0.200 –0.152 0.082 0.075 0.092 –3.09 1.275 1.766 2.65 0.867 1.065 1.035 1.42 1.591 0.76 0.983 0.86 1.297 –0.46 –0.18 0.15 0.934 0.957 0.803 0.01 –0.85 –2.71 –1.099 –0.646 –0.690 –0.733 –0.644 –2.323 –2.1 –2.7 –0.257 –0.72 1.678 –0.490
Electrochemical Series Reaction No3+ + e ⇌ No2+ No3+ + 3 e ⇌ No No2+ + 2 e ⇌ No Np3+ + 3 e ⇌ Np Np4+ + e ⇌ Np3+ NpO2 + H2O + H+ + e ⇌ Np(OH)3 O2 + 2 H+ + 2 e ⇌ H2O2 O2 + 4 H+ + 4 e ⇌ 2 H2O O2 + H2O + 2 e ⇌ HO2– + OH– O2 + 2 H2O + 2 e ⇌ H2O2 + 2 OH– O2 + 2 H2O + 4 e ⇌ 4 OH– O3 + 2 H+ + 2 e ⇌ O2 + H2O O3 + H2O + 2 e ⇌ O2 + 2 OH– O(g) + 2 H+ + 2 e ⇌ H2O OH + e ⇌ OH– HO2– + H2O + 2 e ⇌ 3 OH– OsO4 + 8 H+ + 8 e ⇌ Os + 4 H2O OsO4 + 4 H+ + 4 e ⇌ OsO2 + 2 H2O [Os(bipy)2]3+ + e ⇌ [Os(bipy)2]2+ [Os(bipy)3]3+ + e ⇌ [Os(bipy)3]2+ P(red) + 3 H+ + 3 e ⇌ PH3(g) P(white) + 3 H+ + 3 e ⇌ PH3(g) P + 3 H2O + 3 e ⇌ PH3(g) + 3 OH– H2P2– + e ⇌ P + 2 OH– H3PO2 + H+ + e ⇌ P + 2 H2O H3PO3 + 2 H+ + 2 e ⇌ H3PO2 + H2O H3PO3 + 3 H+ + 3 e ⇌ P + 3 H2O HPO32– + 2 H2O + 2 e ⇌ H2PO2– + 3 OH– HPO32– + 2 H2O + 3 e ⇌ P + 5 OH– H3PO4 + 2 H+ + 2 e ⇌ H3PO3 + H2O PO43– + 2 H2O + 2 e ⇌ HPO32– + 3 OH– Pa3+ + 3 e ⇌ Pa Pa4+ + 4 e ⇌ Pa Pa4+ + e ⇌ Pa3+ Pb2+ + 2 e ⇌ Pb Pb2+ + 2 e ⇌ Pb(Hg) PbBr2 + 2 e ⇌ Pb + 2 Br– PbCl2 + 2 e ⇌ Pb + 2 Cl– PbF2 + 2 e ⇌ Pb + 2 F– PbHPO4 + 2 e ⇌ Pb + HPO42– PbI2 + 2 e ⇌ Pb + 2 I– PbO + H2O + 2 e ⇌ Pb + 2 OH– PbO2 + 4 H+ + 2 e ⇌ Pb2+ + 2 H2O HPbO2– + H2O + 2 e ⇌ Pb + 3 OH– PbO2 + H2O + 2 e ⇌ PbO + 2 OH– PbO2 + SO42– + 4 H+ + 2 e ⇌ PbSO4 + 2 H2O PbSO4 + 2 e ⇌ Pb + SO42– PbSO4 + 2 e ⇌ Pb(Hg) + SO42– Pd2+ + 2 e ⇌ Pd [PdCl4]2– + 2 e ⇌ Pd + 4 Cl– [PdCl6]2– + 2 e ⇌ [PdCl4]2– + 2 Cl– Pd(OH)2 + 2 e ⇌ Pd + 2 OH– Pm2+ + 2 e ⇌ Pm Pm3+ + 3 e ⇌ Pm Pm3+ + e ⇌ Pm2+ Po4+ + 2 e ⇌ Po2+ Po4+ + 4 e ⇌ Po Pr4+ + e ⇌ Pr3+ Pr2+ + 2 e ⇌ Pr Pr3+ + 3 e ⇌ Pr
8-23 E°/V 1.4 –1.20 –2.50 –1.856 0.147 –0.962 0.695 1.229 –0.076 –0.146 0.401 2.076 1.24 2.421 2.02 0.878 0.838 1.02 0.81 0.80 –0.111 –0.063 –0.87 –1.82 –0.508 –0.499 –0.454 –1.65 –1.71 –0.276 –1.05 –1.34 –1.49 –1.9 –0.1262 –0.1205 –0.284 –0.2675 –0.3444 –0.465 –0.365 –0.580 1.455 –0.537 0.247 1.6913 –0.3588 –0.3505 0.951 0.591 1.288 0.07 –2.2 –2.30 –2.6 0.9 0.76 3.2 –2.0 –2.353
Reaction Pr3+ + e ⇌ Pr2+ Pt2+ + 2 e ⇌ Pt [PtCl4]2– + 2 e ⇌ Pt + 4 Cl– [PtCl6]2– + 2 e ⇌ [PtCl4]2– + 2 Cl– Pt(OH)2 + 2 e ⇌ Pt + 2 OH– PtO3 + 2 H+ + 2 e ⇌ PtO2 + H2O PtO3 + 4 H+ + 2 e ⇌ Pt(OH)22+ + H2O PtOH+ + H+ + 2 e ⇌ Pt + H2O PtO2 + 2 H+ + 2 e ⇌ PtO + H2O PtO2 + 4 H+ + 4 e ⇌ Pt + 2 H2O Pu3+ + 3 e ⇌ Pu Pu4+ + e ⇌ Pu3+ Pu5+ + e ⇌ Pu4+ PuO2(OH)2 + 2 H+ + 2 e ⇌ Pu(OH)4 PuO2(OH)2 + H+ + e ⇌ PuO2OH + H2O Ra2+ + 2 e ⇌ Ra Rb+ + e ⇌ Rb Re3+ + 3 e ⇌ Re ReO4– + 4 H+ + 3 e ⇌ ReO2 + 2 H2O ReO2 + 4 H+ + 4 e ⇌ Re + 2 H2O ReO4– + 2 H+ + e ⇌ ReO3 + H2O ReO4– + 4 H2O + 7 e ⇌ Re + 8 OH– ReO4– + 8 H+ + 7 e ⇀ Re + 4 H2O Rh+ + e ⇌ Rh Rh3+ + 3 e ⇌ Rh [RhCl6]3– + 3 e ⇌ Rh + 6 Cl– RhOH2+ + H+ + 3 e ⇌ Rh + H2O Ru2+ + 2 e ⇌ Ru Ru3+ + e ⇌ Ru2+ RuO2 + 4 H+ + 2 e ⇌ Ru2+ + 2 H2O RuO4– + e ⇌ RuO42– RuO4 + e ⇌ RuO4– RuO4 + 6 H+ + 4 e ⇌ Ru(OH)22+ + 2 H2O RuO4 + 8 H+ + 8 e ⇌ Ru + 4 H2O [Ru(bipy)3)3+ + e– ⇌ [Ru(bipy)3]2+ [Ru(H2O)6]3+ + e– ⇌ [Ru(H2O)6]2+ [Ru(NH3)6]3+ + e– ⇌ [Ru(NH3)6]2+ [Ru(en)3]3+ + e – ⇌ [Ru(en)3]2+ [Ru(CN)6]3– + e– ⇌ [Ru(CN)6]4– S + 2 e ⇌ S2– S + 2H+ + 2 e ⇌ H2S(aq) S + H2O + 2 e ⇌ SH– + OH– 2 S + 2 e ⇌ S22– S2O62– + 4 H+ + 2 e ⇌ 2 H2SO3 S2O82– + 2 e ⇌ 2 SO42– S2O82– + 2 H+ + 2 e ⇌ 2 HSO4– S4O62– + 2 e ⇌ 2 S2O32– 2 H2SO3 + H+ + 2 e ⇌ HS2O4– + 2 H2O H2SO3 + 4 H+ + 4 e ⇌ S + 3 H2O 2 SO32– + 2 H2O + 2 e ⇌ S2O42– + 4 OH– 2 SO32– + 3 H2O + 4 e ⇌ S2O32– + 6 OH– SO42– + 4 H+ + 2 e ⇌ H2SO3 + H2O 2 SO42– + 4 H+ + 2 e ⇌ S2O62– + H2O SO42– + H2O + 2 e ⇌ SO32– + 2 OH– Sb + 3 H+ + 3 e ⇌ SbH3 Sb2O3 + 6 H+ + 6 e ⇌ 2 Sb + 3 H2O Sb2O5 (senarmontite) + 4 H+ + 4 e ⇌ Sb2O3 + 2 H2O Sb2O5 (valentinite) + 4 H+ + 4 e ⇌ Sb2O3 + 2 H2O
E°/V –3.1 1.18 0.755 0.68 0.14 1.7 1.5 1.2 1.01 1.00 –2.031 1.006 1.099 1.325 1.062 –2.8 –2.98 0.300 0.510 0.2513 0.768 –0.584 0.368 0.600 0.758 0.431 0.83 0.455 0.2487 1.120 0.59 1.00 1.40 1.038 1.24 0.23 0.10 0.210 0.86 –0.47627 0.142 –0.478 –0.42836 0.564 2.010 2.123 0.08 –0.056 0.449 –1.12 –0.571 0.172 –0.22 –0.93 –0.510 0.152 0.671 0.649
Electrochemical Series
8-24 Reaction Sb2O5 + 6 H+ + 4 e ⇌ 2 SbO+ + 3 H2O SbO+ + 2 H+ + 3 e ⇌ Sb + 2 H2O SbO2– + 2 H2O + 3 e ⇌ Sb + 4 OH– SbO3– + H2O + 2 e ⇌ SbO2– + 2 OH– Sc3+ + 3 e ⇌ Sc Se + 2 e ⇌ Se2– Se + 2 H+ + 2 e ⇌ H2Se(aq) H2SeO3 + 4 H+ + 4 e ⇌ Se + 3 H2O Se + 2 H+ + 2 e ⇌ H2Se SeO32– + 3 H2O + 4 e ⇌ Se + 6 OH– SeO42– + 4 H+ + 2 e ⇌ H2SeO3 + H2O SeO42– + H2O + 2 e ⇌ SeO32– + 2 OH– SiF62– + 4 e ⇌ Si + 6 F– SiO + 2 H+ + 2 e ⇌ Si + H2O SiO2 (quartz) + 4 H+ + 4 e ⇌ Si + 2 H2O SiO32– + 3 H2O + 4 e ⇌ Si + 6 OH– Sm3+ + e ⇌ Sm2+ Sm3+ + 3 e ⇌ Sm Sm2+ + 2 e ⇌ Sm Sn2+ + 2 e ⇌ Sn Sn4+ + 2 e ⇀ Sn2+ Sn(OH)3+ + 3 H+ + 2 e ⇌ Sn2+ + 3 H2O SnO2 + 4 H+ + 2 e– ⇌ Sn2+ + 2 H2O SnO2 + 4 H+ + 4 e ⇌ Sn + 2 H2O SnO2 + 3 H+ + 2 e ⇌ SnOH+ + H2O SnO2 + 2 H2O + 4 e ⇌ Sn + 4 OH– HSnO2– + H2O + 2 e ⇌ Sn + 3 OH– Sn(OH)62– + 2 e ⇌ HSnO2– + 3 OH– + H2O Sr+ + e ⇌ Sr Sr2+ + 2 e ⇌ Sr Sr2+ + 2 e ⇌ Sr(Hg) Sr(OH)2 + 2 e ⇌ Sr + 2 OH– Ta2O5 + 10 H+ + 10 e ⇌ 2 Ta + 5 H2O Ta3+ + 3 e ⇌ Ta Tc2+ + 2 e ⇌ Tc TcO4– + 4 H+ + 3 e ⇌ TcO2 + 2 H2O Tc3+ + e ⇌ Tc2+ TcO4– + 8 H+ + 7 e ⇌ Tc + 4 H2O Tb4+ + e ⇌ Tb3+ Tb3+ + 3 e ⇌ Tb Te + 2 e ⇌ Te2– Te + 2 H+ + 2 e ⇌ H2Te Te4+ + 4 e ⇌ Te TeO2 + 4 H+ + 4 e ⇌ Te + 2 H2O TeO32– + 3 H2O + 4 e ⇌ Te + 6 OH– TeO4– + 8 H+ + 7 e ⇌ Te + 4 H2O H6TeO6 + 2 H+ + 2 e ⇌ TeO2 + 4 H2O Th4+ + 4 e ⇌ Th ThO2 + 4 H+ + 4 e ⇌ Th + 2 H2O Th(OH)4 + 4 e ⇌ Th + 4 OH– Ti2+ + 2 e ⇌ Ti Ti3+ + e ⇌ Ti2+ TiO2 + 4 H+ + 2 e ⇌ Ti2+ + 2 H2O Ti3+ + 3 e ⇌ Ti TiOH3+ + H+ + e ⇌ Ti3+ + H2O
E°/V 0.581 0.212 –0.66 –0.59 –2.077 –0.924 –0.399 0.74 –0.082 –0.366 1.151 0.05 –1.24 –0.8 0.857 –1.697 –1.55 –2.304 –2.68 –0.1375 0.151 0.142 –0.094 –0.117 –0.194 –0.945 –0.909 –0.93 –4.10 –2.899 –1.793 –2.88 –0.750 –0.6 0.400 0.782 0.3 0.472 3.1 –2.28 –1.143 –0.793 0.568 0.593 –0.57 0.472 1.02 –1.899 –1.789 –2.48 –1.630 –0.9 –0.502 –1.37 –0.055
Reaction Tl+ + e ⇌ Tl Tl+ + e ⇌ Tl(Hg) Tl3+ + 2 e ⇌ Tl+ Tl3+ + 3 e ⇌ Tl TlBr + e ⇌ Tl + Br– TlCl + e ⇌ Tl + Cl– TlI + e ⇌ Tl + I– Tl2O3 + 3 H2O + 4 e ⇌ 2 Tl+ + 6 OH– TlOH + e ⇌ Tl + OH– Tl(OH)3 + 2 e ⇌ TlOH + 2 OH– Tl2SO4 + 2 e ⇌ Tl + SO42– Tm3+ + e ⇌ Tm2+ Tm3+ + 3 e ⇌ Tm Tm2+ + 2 e ⇌ Tm U3+ + 3 e ⇌ U U4+ + e ⇌ U3+ UO2+ + 4 H+ + e ⇌ U4+ + 2 H2O UO22+ + e ⇌ UO+2 UO22+ + 4 H+ + 2 e ⇌ U4+ + 2 H2O UO22+ + 4 H+ + 6 e ⇌ U + 2 H2O V2+ + 2 e ⇌ V V3+ + e ⇌ V2+ VO2+ + 2 H+ + e ⇌ V3+ + H2O VO2+ + 2 H+ + e ⇌ VO2+ + H2O V2O5 + 6 H+ + 2 e ⇌ 2 VO2+ + 3 H2O V2O5 + 10 H+ + 10 e ⇌ 2 V + 5 H2O V(OH)4+ + 2 H+ + e ⇌ VO2+ + 3 H2O V(OH)4+ + 4 H+ + 5 e ⇌ V + 4 H2O [V(phen)3]3+ + e ⇌ [V(phen)3]2+ W3+ + 3 e ⇌ W W2O5 + 2 H+ + 2 e ⇌ 2 WO2 + H2O WO2 + 4 H+ + 4 e ⇌ W + 2 H2O WO3 + 6 H+ + 6 e ⇌ W + 3 H2O WO3 + 2 H+ + 2 e ⇌ WO2 + H2O 2 WO3 + 2 H+ + 2 e ⇌ W2O5 + H2O H4XeO6 + 2 H+ + 2 e ⇌ XeO3 + 3 H2O XeO3 + 6 H+ + 6 e ⇌ Xe + 3 H2O XeF + e ⇌ Xe + F– Y3+ + 3 e ⇌ Y Yb3+ + e ⇌ Yb2+ Yb3+ + 3 e ⇌ Yb Yb2+ + 2 e ⇌ Yb Zn2+ + 2 e ⇌ Zn Zn2+ + 2 e ⇌ Zn(Hg) ZnO22– + 2 H2O + 2 e ⇌ Zn + 4 OH– ZnSO4 · 7 H2O + 2 e = Zn(Hg) + SO42– + 7 H2O (Saturated ZnSO4) ZnOH+ + H+ + 2 e ⇌ Zn + H2O Zn(OH)42– + 2 e ⇌ Zn + 4 OH– Zn(OH)2 + 2 e ⇌ Zn + 2 OH– ZnO + H2O + 2 e ⇌ Zn + 2 OH– ZrO2 + 4 H+ + 4 e ⇌ Zr + 2 H2O ZrO(OH)2 + H2O + 4 e ⇌ Zr + 4 OH– Zr4+ + 4 e ⇌ Zr
E°/V –0.336 –0.3338 1.252 0.741 –0.658 –0.5568 –0.752 0.02 –0.34 –0.05 –0.4360 –2.2 –2.319 –2.4 –1.798 –0.607 0.612 0.062 0.327 –1.444 –1.175 –0.255 0.337 0.991 0.957 –0.242 1.00 –0.254 0.14 0.1 –0.031 –0.119 –0.090 0.036 –0.029 2.42 2.10 3.4 –2.372 –1.05 –2.19 –2.76 –0.7618 –0.7628 –1.215 –0.7993 –0.497 –1.199 –1.249 –1.260 –1.553 –2.36 –1.45
Electrochemical Series
8-25
TABLE 2. Reduction Reactions Having E° Values More Positive than That of the Standard Hydrogen Electrode Reaction 2 H+ + 2 e ⇌ H2 CuI2– + e ⇌ Cu + 2 I– Ge4+ + 2 e ⇌ Ge2+ NO3– + H2O + 2 e ⇌ NO2– + 2 OH– Tl2O3 + 3 H2O + 4 e ⇌ 2 Tl+ + 6 OH– SeO42– + H2O + 2 e ⇌ SeO32– + 2 OH– WO3 + 2 H+ + 2 e ⇌ WO2 + H2O UO22+ + e = UO2+ Pd(OH)2 + 2 e ⇌ Pd + 2 OH– AgBr + e ⇌ Ag + Br– MoO3 + 6 H+ + 6 e ⇌ Mo + 3 H2O S4O62– + 2 e ⇌ 2 S2O32– H3Mo7O243– + 45 H+ + 42 e ⇌ 7 Mo + 24 H2O AgSCN + e ⇌ Ag + SCN– N2 + 2 H2O + 6 H+ + 6 e ⇌ 2 NH4OH HgO + H2O + 2 e ⇌ Hg + 2 OH– Ir2O3 + 3 H2O + 6 e ⇌ 2 Ir + 6 OH– 2 NO + 2 e ⇌ N2O22– [Ru(NH3)6]3+ + e ⇌ [Ru(NH3)6]2+ W3+ + 3 e ⇌ W [Co(NH3)6]3+ + e ⇌ [Co(NH3)6]2+ Hg2O + H2O + 2 e ⇌ 2 Hg + 2 OH– Ge4+ + 4 e ⇌ Ge Hg2Br2 + 2 e ⇌ 2 Hg + 2 Br– Pt(OH)2 + 2 e ⇌ Pt + 2 OH– [V(phen)3]3+ + e ⇌ [V(phen)3]2+ S + 2H+ + 2 e ⇌ H2S(aq) Sn(OH)3+ + 3 H+ + 2 e ⇌ Sn2+ + 3 H2O Np4+ + e ⇌ Np3+ Ag4[Fe(CN)6] + 4 e ⇌ 4 Ag + [Fe(CN)6]4– IO3– + 2 H2O + 4 e ⇌ IO– + 4 OH– Mn(OH)3 + e ⇌ Mn(OH)2 + OH– 2 NO2– + 3 H2O + 4 e ⇌ N2O + 6 OH– Sn4+ + 2 e ⇌ Sn2+ Sb2O3 + 6 H+ + 6 e ⇌ 2 Sb + 3 H2O Cu2+ + e ⇌ Cu+ BiOCl + 2 H+ + 3 e ⇌ Bi + Cl– + H2O BiCl4– + 3 e ⇌ Bi + 4 Cl– Fe2O3 + 4 H+ + 2 e ⇌ 2 FeOH+ + H2O Co(OH)3 + e ⇌ Co(OH)2 + OH– SO42– + 4 H+ + 2 e ⇌ H2SO3 + H2O Bi3+ + 2 e ⇌ Bi+ [Ru(en)3]3+ + e ⇌ [Ru(en)3]2+ SbO+ + 2 H+ + 3 e ⇌ Sb + 2 H2O AgCl + e ⇌ Ag + Cl– [Ru(H2O)6]3+ + e ⇌ [Ru(H2O)6]2+ As2O3 + 6 H+ + 6 e ⇌ 2 As + 3 H2O Calomel electrode, saturated NaCl (SSCE) Ge2+ + 2 e ⇌ Ge Ru3+ + e ⇌ Ru2+ Calomel electrode, saturated KCl PbO2 + H2O + 2 e ⇌ PbO + 2 OH– HAsO2 + 3 H+ + 3 e ⇌ As + 2 H2O Ru3+ + e ⇀ Ru2+ ReO2 + 4 H+ + 4 e ⇌ Re + 2 H2O IO3– + 3 H2O + 6 e ⇌ I– + OH–
E°/V 0.00000 0.00 0.00 0.01 0.02 0.05 0.036 0.062 0.07 0.07133 0.075 0.08 0.082 0.8951 0.092 0.0977 0.098 0.10 0.10 0.1 0.108 0.123 0.124 0.13923 0.14 0.14 0.142 0.142 0.147 0.1478 0.15 0.15 0.15 0.151 0.152 0.153 0.1583 0.16 0.16 0.17 0.172 0.2 0.210 0.212 0.22233 0.23 0.234 0.2360 0.24 0.24 0.2412 0.247 0.248 0.2487 0.2513 0.26
Reaction Hg2Cl2 + 2 e ⇌ 2 Hg + 2 Cl– Calomel electrode, 1 molal KCl Calomel electrode, 1 molar KCl (NCE) At2 + 2 e ⇌ 2 At– Re3+ + 3 e ⇌ Re Tc3+ + e ⇌ Tc2+ Bi3+ + 3 e ⇌ Bi BiO+ + 2 H+ + 3 e ⇌ Bi + H2O
UO22+ + 4 H+ + 2 e ⇌ U4+ + 2 H2O ClO3– + H2O + 2 e ⇌ ClO2– + 2 OH– 2 HCNO + 2 H+ + 2 e ⇌ (CN)2 + 2 H2O Calomel electrode, 0.1 molar KCl VO2+ + 2 H+ + e ⇌ V3+ + H2O Cu2+ + 2 e ⇌ Cu Ag2O + H2O + 2 e ⇌ 2 Ag + 2 OH– Cu2+ + 2 e ⇌ Cu(Hg) AgIO3 + e ⇌ Ag + IO3– [Fe(CN)6]3– + e ⇌ [Fe(CN)6]4– ClO4– + H2O + 2 e ⇌ ClO–3 + 2 OH– Ag2SeO3 + 2 e ⇌ 2 Ag + SeO32– ReO4– + 8 H+ + 7 e ⇌ Re + 4 H2O (CN)2 + 2 H+ + 2 e ⇌ 2 HCN [Ferricinium]+ + e ⇌ ferrocene Tc2+ + 2 e ⇌ Tc O2 + 2 H2O + 4 e ⇌ 4 OH– AgOCN + e ⇌ Ag + OCN– [RhCl6]3– + 3 e ⇌ Rh + 6 Cl– Ag2CrO4 + 2 e ⇌ 2 Ag + CrO42– H2SO3 + 4 H+ + 4 e ⇌ S + 3 H2O Ru2+ + 2 e ⇌ Ru Ag2MoO4 + 2 e ⇌ 2 Ag + MoO42– Ag2C2O4 + 2 e ⇌ 2 Ag + C2O42– Ag2WO4 + 2 e ⇌ 2 Ag + WO42– Ag2CO3 + 2 e ⇌ 2 Ag + CO32– TcO4– + 8 H+ + 7 e ⇌ Tc + 4 H2O TeO4– + 8 H+ + 7 e ⇌ Te + 4 H2O IO– + H2O + 2 e ⇌ I– + 2 OH– NiO2 + 2 H2O + 2 e ⇌ Ni(OH)2 + 2 OH– Bi+ + e ⇌ Bi ReO4– + 4 H+ + 3 e ⇌ ReO2 + 2 H2O Hg2(ac)2 + 2 e ⇌ 2 Hg + 2(ac)– Cu+ + e ⇌ Cu I2 + 2 e ⇌ 2 I– I3– + 2 e ⇌ 3 I– AgBrO3 + e ⇌ Ag + BrO3– MnO4– + e ⇌ MnO4– H3AsO4 + 2 H+ + 2 e ⇌ HAsO2 + 2 H2O S2O62– + 4 H+ + 2 e ⇌ 2 H2SO3 AgNO2 + e ⇌ Ag + NO2– Te4+ + 4 e ⇌ Te Sb2O5 + 6 H+ + 4 e ⇌ 2 SbO+ + 3 H2O RuO4– + e ⇌ RuO42– [PdCl4]2– + 2 e ⇌ Pd + 4 Cl– TeO2 + 4 H+ + 4 e ⇌ Te + 2 H2O MnO4– + 2 H2O + 3 e ⇌ MnO2 + 4 OH– Rh2+ + 2 e ⇌ Rh
E°/V 0.26808 0.2800 0.2801 0.3 0.300 0.3 0.308 0.320 0.327 0.33 0.330 0.3337 0.337 0.3419 0.342 0.345 0.354 0.358 0.36 0.3629 0.368 0.373 0.400 0.400 0.401 0.41 0.431 0.4470 0.449 0.455 0.4573 0.4647 0.4660 0.47 0.472 0.472 0.485 0.490 0.5 0.510 0.51163 0.521 0.5355 0.536 0.546 0.558 0.560 0.564 0.564 0.568 0.581 0.59 0.591 0.593 0.595 0.600
Electrochemical Series
8-26 Reaction Rh+ + e ⇌ Rh MnO42– + 2 H2O + 2 e ⇌ MnO2 + 4 OH– 2 AgO + H2O + 2 e ⇌ Ag2O + 2 OH– BrO3– + 3 H2O + 6 e ⇌ Br– + 6 OH– UO2+ + 4 H+ + e ⇌ U4+ + 2 H2O Hg2SO4 + 2 e ⇌ 2 Hg + SO42– ClO3– + 3 H2O + 6 e ⇌ Cl– + 6 OH– Hg2HPO4 + 2 e ⇌ 2 Hg + HPO42– Ag(ac) + e ⇌ Ag + (ac)– Sb2O5(valentinite) + 4 H+ + 4 e ⇌ Sb2O3 + 2 H2O Ag2SO4 + 2 e ⇌ 2 Ag + SO42– ClO2– + H2O + 2 e ⇌ ClO– + 2 OH– Sb2O5(senarmontite) + 4 H+ + 4 e ⇌ Sb2O5 + 2 H2O [PtCl6]2– + 2 e ⇌ [PtCl4]2– + 2 Cl– O2 + 2 H+ + 2 e ⇌ H2O2 p–benzoquinone + 2 H+ + 2 e ⇌⇌ hydroquinone H3IO62– + 2 e ⇌ IO3– + 3 OH– Ag2O3+ H2O + 2 e ⇌ 2 AgO + 2 OH– Tl3+ + 3 e ⇌ Tl [PtCl4]2– + 2 e ⇌ Pt + 4 Cl– Rh3+ + 3 e ⇌ Rh ClO2– + 2 H2O + 4 e ⇌ Cl– + 4 OH– 2 NO + H2O + 2 e ⇌ N2O + 2 OH– Po4+ + 4 e ⇌ Po BrO– + H2O + 2 e ⇌ Br– + 2 OH– ReO4– + 2 H+ +e ⇌ ReO3 + H2O (CNS)2 + 2 e ⇌ 2 CNS – [IrCl6]3– + 3 e ⇌ Ir + 6 Cl– Fe3+ + e ⇌ Fe2+ AgF + e ⇌ Ag + F– [Fe(bipy)2]3+ + e ⇌ [Fe(bipy)2]2+ TcO4– + 4 H+ + 3 e ⇌ TcO2 + 2 H2O Hg22+ + 2 e ⇌ 2 Hg Ag+ + e ⇌ Ag [Os(bipy)3]3+ + e ⇌ [Os(bipy)3]2+ 2 NO3– + 4 H+ + 2 e ⇌ N2O4 + 2 H2O [Os(bipy)2]3+ + e ⇌ [Os(bipy)2]2+ RhOH2+ + H + 3 e ⇌ Rh + H2O OsO4 + 8 H+ + 8 e ⇌ Os + 4 H2O ClO– + H2O + 2 e ⇌ Cl– + 2 OH– Hg2+ + 2 e ⇌ Hg AuBr4– + 3 e ⇌ Au + 4 Br– SiO2(quartz) + 4 H+ + 4 e ⇌ Si + 2 H2O 2 HNO2 + 4 H+ + 4 e ⇌ H2N2O2 + H2O [Ru(CN)6]3– + e– ⇌ [Ru(CN)6]4– [IrCl6]2– + e ⇌ [IrCl6]3– N2O4 + 2 e ⇌ 2 NO2– HO2– + H2O + 2 e ⇌ 3 OH– Po4+ + 2 e ⇌ Po2+ 2 Hg2+ + 2 e ⇌ Hg22+ NO3– + 3 H+ + 2 e ⇌ HNO2 + H2O Pd2+ + 2 e ⇌ Pd ClO2(aq) + e ⇌ ClO2– NO3– + 4 H+ + 3 e ⇌ NO + 2 H2O V2O5 + 6 H+ + 2 e ⇌ 2 VO2+ + 3 H2O AuBr2– + e ⇌ Au + 2 Br– HNO2 + H+ + e ⇌ NO + H2O
E°/V 0.600 0.60 0.607 0.61 0.612 0.6125 0.62 0.6359 0.643 0.649 0.654 0.66 0.671 0.68 0.695 0.6992 0.7 0.739 0.741 0.755 0.758 0.76 0.76 0.76 0.761 0.768 0.77 0.77 0.771 0.779 0.78 0.782 0.7973 0.7996 0.80 0.803 0.81 0.83 0.838 0.841 0.851 0.854 0.857 0.86 0.86 0.8665 0.867 0.878 0.9 0.920 0.934 0.951 0.954 0.957 0.957 0.959 0.983
Reaction HIO + H+ + 2 e ⇌ I– + H2O VO2+ + 2 H+ + e ⇌ VO2+ + H2O PtO2 + 4 H+ + 4 e ⇌ Pt + 2 H2O RuO4 + e ⇌ RuO4– V(OH)4+ + 2 H+ + e ⇌ VO2+ + 3 H2O AuCl4– + 3 e ⇌ Au + 4 Cl– Pu4+ + e ⇌ Pu3+ PtO2 + 2 H+ + 2 e ⇌ PtO + H2O OsO4 + 4 H + 4 e ⇌ OsO2 + 2 H2O H6TeO6 + 2 H+ + 2 e ⇌ TeO2 + 4 H2O [Fe(bipy)3]3+ + e ⇌ [Fe(bipy)3]2+ Hg(OH)2 + 2 H+ + 2 e ⇌ Hg + 2 H2O N2O4 + 4 H+ + 4 e ⇌ 2 NO + 2 H2O RuO4 + 8 H+ + 8 e ⇌ Ru + 4H2O [Fe(phen)3]3+ + e ⇌ [Fe(phen)3]2+ (1 molar H2SO4) PuO2(OH)2 + H+ + e ⇌ PuO2OH + H2O N2O4 + 2 H+ + 2 e ⇌ 2 HNO2 Br2(l) + 2 e ⇌ 2Br– IO3– + 6 H+ + 6 e ⇌ I– + 3 H2O Br2(aq) + 2 e ⇌ 2Br– Pu5+ + e ⇌ Pu4+ Cu2+ + 2 CN– + e ⇌ [Cu(CN)2]– RuO2 + 4 H+ + 2 e ⇌ Ru2+ + 2 H2O [Fe(phen)3]3+ + e ⇌⇀ [Fe(phen)3]2+ SeO42– + 4 H+ + 2 e ⇌ H2SeO3 + H2O ClO3– + 2 H+ + e ⇌ ClO2 + H2O Ir3+ + 3 e ⇀ Ir Pt2+ + 2 e ⇌ Pt ClO4– + 2 H+ + 2 e ⇌ ClO3– + H2O 2 IO3– + 12 H+ + 10 e ⇌ I2 + 6 H2O PtOH+ + H+ + 2 e ⇌ Pt + H2O ClO3– + 3 H+ + 2 e ⇌ HClO2 + H2O MnO2 + 4 H+ + 2 e ⇌ Mn2+ + 2 H2O O2 + 4 H+ + 4 e ⇌ 2 H2O O3 + H2O + 2 e ⇌ O2 + 2 OH– [Ru(bipy)3]3+ + e ⇌ [Ru(bipy)3]2+ Tl3+ + 2 e ⇌ Tl+ N2H5+ + 3 H+ + 2 e ⇌ 2 NH4+ ClO2 + H+ + e ⇌ HClO2 [PdCl6]2– + 2 e ⇌ [PdCl4]2– + 2 Cl– 2 HNO2 + 4 H+ + 4 e ⇌ N2O + 3 H2O AuOH2+ + H+ + 2 e ⇌ Au+ + H2O PuO2(OH)2 + 2 H– + 2 e ⇌ Pu(OH)4 HBrO + H+ + 2 e ⇌ Br– + H2O Cr(V) + e ⇌ Cr(IV) HCrO4– + 7 H+ + 3 e ⇌ Cr3+ + 4 H2O Cl2(g) + 2 e ⇌ 2Cl– Cr2O72– + 14 H+ + 6 e ⇌ 2 Cr3+ + 7 H2O ClO4– + 8 H+ + 8 e ⇌ Cl– + 4 H2O ClO4– + 8 H+ + 7 e ⇌ 1/2 Cl2 + 4 H2O No3+ + e ⇌ No2+ RuO4 + 6 H+ + 4 e ⇌ Ru(OH)22+ + 2 H2O Au3+ + 2 e ⇌ Au+ 2 NH3OH+ + H+ + 2 e ⇌ N2H5+ + 2 H2O BrO3– + 6 H+ + 6 e ⇌ Br– + 3 H2O 2 HIO + 2 H+ + 2 e ⇌ I2 + 2 H2O Au(OH)3 + 3 H+ + 3 e ⇌ Au– + 3 H2O
E°/V 0.987 0.991 1.00 1.00 1.00 1.002 1.006 1.01 1.02 1.02 1.03 1.034 1.035 1.038 1.06 1.062 1.065 1.066 1.085 1.0873 1.099 1.103 1.120 1.147 1.151 1.152 1.156 1.18 1.189 1.195 1.2 1.214 1.224 1.229 1.24 1.24 1.252 1.275 1.277 1.288 1.297 1.32 1.325 1.331 1.34 1.350 1.35827 1.36 1.389 1.39 1.4 1.40 1.401 1.42 1.423 1.439 1.45
Electrochemical Series Reaction 3IO3– + 6 H+ + 6 e ⇌ Cl– + 3 H2O PbO2 +4 H+ + 2 e ⇌ Pb2+ + 2 H2O ClO3– + 6 H+ + 5 e ⇌ 1/2 Cl2 + 3 H2O CrO2 + 4 H+ + e ⇌ Cr3+ + 2 H2O BrO3– + 6 H+ + 5 e ⇌ 1/2 Br2 + 3 H2O HClO + H+ + 2 e ⇌ Cl– + H2O Mn2O3 + 6 H+ + e ⇌ 2 Mn2+ + 3 H2O HO2 + H+ + e ⇌ H2O2 Au3+ + 3 e ⇌ Au PtO3 + 4 H+ + 2 e ⇌ Pt(OH)22+ + H2O MnO4– + 8 H+ + 5 e ⇌ Mn2+ + 4 H2O Mn3+ + e ⇌ Mn2– HClO2 + 3 H+ + 4 e ⇌ Cl– + 2 H2O HBrO + H+ + e ⇌ 1/2 Br2(aq) + H2O 2 NO + 2 H+ + 2 e ⇌ N2O + H2O Bi2O4 + 4 H+ + 2 e ⇌ 2 BiO+ + 2 H2O HBrO + H+ + e ⇌ 1/2 Br2(l) + H2O H5IO6 + H+ + 2 e ⇌ IO3– + 3 H2O HClO + H+ + e ⇌ 1/2 Cl2 + H2O HClO2 + 3 H+ + 3 e ⇌ 1/2 Cl2 + 2 H2O HClO2 + 2 H+ + 2 e ⇌ HClO + H2O Bk4+ + e ⇌ Bk3+ NiO2 + 4 H+ + 2 e ⇌ Ni2+ + 2 H2O MnO4– + 4 H+ + 3 e ⇀ MnO2 + 2 H2O PbO2 + SO42– + 4 H+ + 2 e ⇌ PbSO4 + 2 H2O Au+ + e ⇌ Au PtO3 + 2 H+ + 2 e ⇌ PtO2 + H2O CeOH3+ + H+ + e ⇌ Ce3+ + H2O Ce4+ + e ⇌ Ce3+ N2O + 2 H+ + 2 e⇌ N2 + H2O H2O2 + 2 H+ + 2 e ⇌ 2 H2O
8-27 E°/V 1.451 1.455 1.47 1.48 1.482 1.482 1.485 1.495 1.498 1.5 1.507 1.5415 1.570 1.574 1.591 1.593 1.596 1.601 1.611 1.628 1.645 1.67 1.678 1.679 1.6913 1.692 1.7 1.715 1.72 1.766 1.776
Reaction Ag3+ + e ⇌ Ag2+ Au2+ + e– ⇌ Au+ Ag2O2 + 4 H+ + e ⇌ 2 Ag + 2 H2O Co3+ + e ⇌ Co2–(2 molar H2SO4) Ag3+ + 2 e ⇌ Ag+ Co3+ + e ⇌ Co2+ Ag2+ + e ⇌ Ag+ Cu2O3 + 6 H+ + 2 e ⇌ 2 Cu2+ + 3 H2O S2O82– + 2 e ⇌ 2 SO42– OH + e ⇌ OH– HFeO4– + 7 H+ + 3 e ⇌ Fe3+ + 4 H2O O3 + 2 H+ + 2 e ⇌ O2 + H2O HFeO4– + 4 H+ + 3 e ⇌ FeOOH + 2 H2O 2 HFeO4– + 8 H+ + 6 e ⇌ Fe2O3 + 5 H2O XeO3 + 6 H+ + 6 e ⇌ Xe + 3 H2O S2O82– + 2 H+ + 2 e ⇌ 2 HSO4– F2O + 2 H+ + 4 e ⇌ H2O + 2 F– FeO42– + 8 H+ + 3 e ⇌ Fe3+ + 4 H2O Cu3+ + e ⇌ Cu2+ H4XeO6 + 2 H+ + 2 e ⇌ XeO3 + 3 H2O O(g) + 2 H+ + 2 e ⇌ H2O Am4+ + e ⇌ Am3+ H2N2O2 + 2 H+ + 2 e ⇌ N2 + 2 H2O F2 + 2 e ⇌ 2 F– Cm4+ + e ⇌ Cm3+ F2 + 2 H+ + 2 e ⇌ 2 HF Tb4+ + e ⇌ Tb3+ Pr4+ + e ⇌ Pr3+ Cf4+ + e ⇌ Cf3+ XeF + e ⇌ Xe + F–
E°/V 1.8 1.8 1.802 1.83 1.9 1.92 1.980 2.0 2.010 2.02 2.07 2.076 2.08 2.09 2.10 2.123 2.153 2.20 2.4 2.42 2.421 2.60 2.65 2.866 3.0 3.053 3.1 3.2 3.3 3.4
TABLE 3. Reduction Reactions Having E° Values More Negative than That of the Standard Hydrogen Electrode Reaction 2 H+ + 2 e ⇌ H2 2 D+ + 2 e ⇌ D2 AgCN + e ⇌ Ag + CN– 2 WO3 + 2 H+ + 2 e ⇌ W2O5 + H2O W2O5 + 2 H+ + 2 e ⇌ 2 WO2 + H2O Ag2S + 2 H+ + 2 e ⇌ 2 Ag + H2S Fe3+ + 3 e ⇌ Fe Hg2I2 + 2 e ⇌ 2 Hg + 2 I– Tl(OH)3 + 2 e ⇌ TlOH + 2 OH– TiOH3+ + H+ + e ⇌ Ti3+ + H2O 2 H2SO3 + H+ + 2 e ⇌ HS2O4– + 2 H2O P(white) + 3 H+ + 3 e ⇌ PH3(g) O2 + H2O + 2 e ⇌ HO2– + OH– 2 Cu(OH)2 + 2 e ⇌ Cu2O + 2 OH– + H2O Se + 2 H+ + 2 e ⇌ H2Se WO3 + 6 H+ + 6 e ⇌ W + 3 H2O SnO2 + 4 H+ + 2 e ⇌ Sn2+ + 2 H2O Md3+ + e ⇌ Md2+ P(red) + 3 H+ + 3 e ⇌ PH3(g) SnO2 + 4 H+ + 4 e ⇌ Sn + 2 H2O GeO2 + 2 H+ + 2 e ⇌ GeO + H2O
E°/V 0.00000 –0.013 –0.017 –0.029 –0.031 –0.0366 –0.037 –0.0405 –0.05 –0.055 –0.056 –0.063 –0.076 –0.080 –0.082 –0.090 –0.094 –0.1 –0.111 –0.117 –0.118
Reaction WO2 + 4 H+ + 4 e ⇌ W + 2 H2O Pb2+ + 2 e ⇌ Pb(Hg) Pb2+ + 2 e ⇌ Pb CrO42– + 4 H2O + 3 e ⇌ Cr(OH)3 + 5 OH– Sn2– + 2 e ⇌ Sn In+ + e ⇌ In O2 + 2 H2O + 2 e ⇌ H2O2 + 2 OH– MoO2 + 4 H+ + 4 e ⇌ Mo + 4 H2O AgI + e ⇌ Ag + I– 2 NO2– + 2 H2O + 4 e ⇌ N2O22– + 4 OH– H2GeO3 + 4 H+ + 4 e ⇌ Ge + 3 H2O SnO2 + 3 H+ + 2 e ⇌ SnOH+ + H2O CO2 + 2 H+ + 2 e ⇌ HCOOH Mo3+ + 3 e ⇌ Mo Ga+ + e ⇌ Ga 2 SO22– + 4 H+ + 2 e ⇌ S2O62– + H2O Cu(OH)2 + 2 e ⇌ Cu + 2 OH– V2O5 + 10 H+ + 10 e ⇌ 2 V + 5 H2O CdSO4 + 2 e ⇌ Cd + SO42– V(OH)4+ + 4 H+ + 5 e ⇌ V + 4 H2O V3+ + e ⇌ V2+
E°/V –0.119 –0.1205 –0.1262 –0.13 –0.1375 –0.14 –0.146 –0.152 –0.15224 –0.18 –0.182 –0.194 –0.199 –0.200 –0.2 –0.22 –0.222 –0.242 –0.246 –0.254 –0.255
Electrochemical Series
8-28 Reaction Ni2+ + 2 e ⇌ Ni PbCl2 + 2 e ⇌ Pb + 2 Cl– H3PO4 + 2 H+ + 2 e ⇌ H3PO3 + H2O Co2+ + 2 e ⇌ Co PbBr2 + 2 e ⇌ Pb + 2 Br– Tl+ + e ⇌ Tl(Hg) Tl+ + e ⇌ Tl In3+ + 3 e ⇌ In TlOH + e ⇌ Tl + OH– PbF2 + 2 e ⇌ Pb + 2 F– PbSO4 + 2 e ⇌ Pb(Hg) + SO42– Cd2+ + 2 e ⇌ Cd(Hg) PbSO4 + 2 e ⇌ Pb + SO42– Cu2O + H2O + 2 e ⇌ 2 Cu + 2 OH– Eu3+ + e ⇌ Eu2+ PbI2 + 2 e ⇌ Pb + 2 I– SeO32– + 3 H2O + 4 e ⇌ Se + 6 OH– Se + 2 H+ + 2 e ⇌ H2Se(aq) In2+ + e ⇌ In+ Cd2+ + 2 e ⇌ Cd Cr3+ + e ⇌ Cr2+ 2 S + 2 e ⇌ S22– Tl2SO4 + 2 e ⇌ Tl + SO42– In3+ + 2 e ⇌ In+ Fe2+ + 2 e ⇌ Fe H3PO3 + 3 H+ + 3 e ⇌ P + 3 H2O Bi2O3 + 3 H2O + 6 e ⇌ 2 Bi + 6 OH– NO2– + H2O + e ⇌ NO + 2 OH PbHPO4 + 2 e ⇌ Pb + HPO42– S + 2 e ⇌ S2– S + H2O + 2 e ⇌ HS – + OH– B(OH)3 + 7 H+ + 8 e ⇌ BH4– + 3 H2O In3+ + e ⇌ In2+ ZnOH+ + H+ + 2 e ⇌ Zn + H2O GaOH2+ + H+ + 3 e ⇌ Ga + H2O H3PO3 + 2 H+ + 2 e ⇌ H3PO2 + H2O TiO2 + 4 H+ + 2 e ⇌ Ti2+ + 2 H2O H3PO2 + H+ + e ⇌ P + 2 H2O Sb + 3 H+ + 3 e ⇌ SbH3 HPbO2– + H2O + 2 e ⇌ Pb + 3 OH– Ga3+ + 3 e ⇌ Ga TlCl + e ⇌ Tl + Cl– Fe(OH)3 + e ⇌ Fe(OH)2 + OH– TeO32– + 3 H2O + 4 e ⇌ Te + 6 OH– 2 SO32– + 3 H2O + 4 e ⇌ S2O32– + 6 OH– PbO + H2O + 2 e ⇌ Pb + 2 OH– ReO2– + 4 H2O + 7 e ⇌ Re + 8 OH– SbO3– + H2O + 2 e ⇌ SbO2– + 2 OH– Ta3+ + 3 e ⇌ Ta U4+ + e ⇌ U3+ As + 3 H+ + 3 e ⇌ AsH3 Nb2O5 + 10 H+ + 10 e ⇌ 2 Nb + 5 H2O NbO2 + 2 H+ + 2 e ⇌ NbO + H2O Cd(OH)42– + 2 e ⇌ Cd + 4 OH– TlBr + e ⇌ Tl + Br– SbO2– + 2 H2O + 3 e ⇌ Sb + 4 OH– AsO2– + 2 H2O + 3 e ⇌ As + 4 OH–
E°/V –0.257 –0.2675 –0.276 –0.28 –0.284 –0.3338 –0.336 –0.3382 –0.34 –0.3444 –0.3505 –0.3521 –0.3588 –0.360 –0.36 –0.365 –0.366 –0.399 –0.40 –0.4030 –0.407 –0.42836 –0.4360 –0.443 –0.447 –0.454 –0.46 –0.46 –0.465 –0.47627 –0.478 –0.481 –0.49 –0.497 –0.498 –0.499 –0.502 –0.508 –0.510 –0.537 –0.549 –0.5568 –0.56 –0.57 –0.571 –0.580 –0.584 –0.59 –0.6 –0.607 –0.608 –0.644 –0.646 –0.658 –0.658 –0.66 –0.68
Reaction NbO2 + 4 H+ + 4 e ⇌ Nb + 2 H2O Ag2S + 2 e ⇌ 2 Ag + S2– AsO43– + 2 H2O + 2 e ⇌ AsO2– + 4 OH– Ni(OH)2 + 2 e ⇌ Ni + 2 OH– Co(OH)2 + 2 e ⇌ Co + 2 OH– NbO + 2 H+ + 2 e ⇌ Nb + H2O H2SeO3 + 4 H+ + 4 e ⇌ Se + 3 H2O Cr3+ + 3 e ⇌ Cr Ta2O5 + 10 H+ + 10 e ⇌ 2 Ta + 5 H2O TlI + e ⇌ Tl + I– Zn2+ + 2 e ⇌ Zn Zn2+ + 2 e ⇌ Zn(Hg) CdO + H2O + 2 e ⇌ Cd + 2 OH– Te + 2 H+ + 2 e ⇌ H2Te ZnSO4.7H2O + 2 e ⇌ Zn(Hg) + SO42– + 7 H2O (Saturated ZnSO4) Bi + 3 H+ + 3 e ⇌ BiH3 SiO + 2 H+ + 2 e ⇌ Si + H2O Cd(OH)2 + 2 e ⇌ Cd(Hg) + 2 OH– 2 H2O + 2 e ⇌ H2 + 2 OH– 2 NO–3 + 2 H2O + 2 e ⇌ N2O4 + 4 OH– H3BO3 + 3 H+ + 3 e ⇌ B + 3 H2O P + 3 H2O + 3 e ⇌ PH3(g) + 3 OH– Ti3+ + e ⇌ Ti2+ HSnO2– + H2O + 2 e ⇌ Sn + 3 OH– Cr2+ + 2 e ⇌ Cr Se + 2 e ⇌ Se2– SO42– + H2O + 2 e ⇌ SO32– + 2 OH– Sn(OH)62– + 2 e ⇌ HSnO2– + 3 OH– + H2O SnO2 + 2 H2O + 4 e ⇌ Sn + 4 OH– In(OH)3 + 3 e ⇌ In + 3 OH– NpO2 + H2O + H+ + e ⇌ Np(OH)3 In(OH)4– + 3 e ⇌ In + 4 OH– In2O3 + 3 H2O + 6 e ⇌ 2 In + 6 OH– PO43– + 2 H2O + 2 e ⇌ HPO32– + 3 OH– Yb3+ + e ⇌ Yb2+ Nb3+ + 3 e ⇌ Nb Fm3+ + e ⇌ Fm2+ 2 SO32– + 2 H2O + 2 e ⇌ S2O42– + 4 OH– Te + 2 e ⇌ Te2– V2+ + 2 e ⇌ V Mn2+ + 2 e ⇌ Mn Zn(OH)42– + 2 e ⇌ Zn + 4 OH– CrO2 + 2 H2O + 3 e ⇌ Cr + 4 OH– No3+ + 3 e ⇌ No ZnO2– + 2 H2O + 2 e ⇌ Zn + 4 OH– H2GaO3– + H2O + 3 e ⇌ Ga + 4 OH– H2BO3– + 5 H2O + 8 e ⇌ BH4– + 8 OH– SiF62– + 4 e ⇌ Si + 6 F– Zn(OH)2 + 2 e ⇌ Zn + 2 OH– ZnO + H2O + 2 e ⇌ Zn + 2 OH– Es3+ + e ⇌ Es2+ Pa3+ + 3 e ⇌ Pa Ti3+ + 3 e ⇌ Ti Ce3+ + 3 e ⇌ Ce(Hg) UO22+ + 4 H+ + 6 e ⇌ U + 2 H2O Zr4+ + 4 e ⇌ Zr
E°/V –0.690 –0.691 –0.71 –0.72 –0.73 –0.733 –0.74 –0.744 –0.750 –0.752 –0.7618 –0.7628 –0.783 –0.793 –0.7993 –0.8 –0.8 –0.809 –0.8277 –0.85 –0.8698 –0.87 –0.9 –0.909 –0.913 –0.924 –0.93 –0.93 –0.945 –0.99 –0.962 –1.007 –1.034 –1.05 –1.05 –1.099 –1.1 –1.12 –1.143 –1.175 –1.185 –1.199 –1.2 –1.20 –1.215 –1.219 –1.24 –1.24 –1.249 –1.260 –1.3 –1.34 –1.37 –1.4373 –1.444 –1.45
Electrochemical Series Reaction Cr(OH)3 + 3 e ⇌ Cr + 3 OH– Pa4+ + 4 e ⇌ Pa HfO2 + 4 H+ + 4 e ⇌ Hf + 2 H2O Hf4+ + 4 e ⇌ Hf Sm3+ + e ⇌ Sm2+ ZrO2 + 4 H+ + 4 e ⇌ Zr + 2 H2O Mn(OH)2 + 2 e ⇌ Mn + 2 OH– Ba2+ + 2 e ⇌ Ba(Hg) Bk2+ + 2 e ⇌ Bk Cf3+ + e ⇌ Cf2+ Ti2+ + 2 e ⇌ Ti Md3+ + 3 e ⇌ Md HPO32– + 2 H2O + 2 e ⇌ H2PO2– + 3 OH– Al3+ + 3 e ⇌ Al SiO32– + H2O + 4 e ⇌ Si + 6 OH– HPO32– + 2 H2O + 3 e ⇌ P + 5 OH– HfO2+ + 2 H+ + 4 e ⇌ Hf + H2O ThO2 + 4 H+ + 4 e ⇌ Th + 2 H2O H2BO3– + H2O + 3 e ⇌ B + 4 OH– Sr2+ + 2 e ⇌ Sr(Hg) U3+ + 3 e ⇌ U H2PO–2 + e ⇌ P + 2 OH– Be2+ + 2 e ⇌ Be Np3+ + 3 e ⇌ Np Fm3+ + 3 e ⇌ Fm Th4+ + 4 e ⇌ Th Am2+ + 2 e ⇌ Am Pa4+ + e ⇌ Pa3+ Es3+ + 3 e ⇌ Es Cf3+ + 3 e ⇌ Cf Lr3+ + 3 e ⇌ Lr Eu3+ + 3 e ⇌ Eu Er2+ + 2 e ⇌ Er Pr2+ + 2 e ⇌ Pr Pu3+ + 3 e ⇌ Pu Cm3+ + 3 e ⇌ Cm Am3+ + 3 e ⇌ Am AlF63– + 3 e ⇌ Al + 6 F– Sc3+ + 3 e ⇌ Sc Ho2+ + 2 e ⇌ Ho Nd2+ + 2 e ⇌ Nd Cf2+ + 2 e ⇌ Cf Yb3+ + 3 e ⇌ Yb Ac3+ + 3 e ⇌ Ac Dy2+ + 2 e ⇌ Dy Tm3+ + e ⇌ Tm2+ Pm2+ + 2 e ⇌ Pm Es2+ + 2 e ⇌ Es H2 + 2 e ⇌ 2 H– Gd3+ + 3 e ⇌ Gd Tb3+ + 3 e ⇌ Tb Lu3+ + 3 e ⇌ Lu Dy3+ + 3 e ⇌ Dy
8-29 E°/V –1.48 –1.49 –1.505 –1.55 –1.55 –1.553 –1.56 –1.570 –1.6 –1.6 –1.630 –1.65 –1.65 –1.662 –1.697 –1.71 –1.724 –1.789 –1.79 –1.793 –1.798 –1.82 –1.847 –1.856 –1.89 –1.899 –1.9 –1.9 –1.91 –1.94 –1.96 –1.991 –2.0 –2.0 –2.031 –2.04 –2.048 –2.069 –2.077 –2.1 –2.1 –2.12 –2.19 –2.20 –2.2 –2.2 –2.2 –2.23 –2.23 –2.279 –2.28 –2.28 –2.295
Reaction Am3+ + e ⇌ Am2+ Fm2+ + 2 e ⇌ Fm Pm3+ + 3 e ⇌ Pm Sm3+ + 3 e ⇌ Sm Al(OH)3 + 3 e ⇌ Al + 3 OH– Tm3+ + 3 e ⇌ Tm Nd3+ + 3 e ⇌ Nd Al(OH)– + 3 e ⇌ Al + 4 OH– H2AlO3– + H2O + 3 e ⇌ Al + 4 OH– Ho3+ + 3 e ⇌ Ho Er3+ + 3 e ⇌ Er Ce3+ + 3 e ⇌ Ce Pr3+ + 3 e ⇌ Pr ZrO(OH)2 + H2O + 4 e ⇌ Zr + 4 OH– Mg2+ + 2 e ⇌ Mg Y3+ + 3 e ⇌ Y La3+ + 3 e ⇌ La Tm2+ + 2 e ⇌ Tm Md2+ + 2 e ⇌ Md Th(OH)4 + 4 e ⇌ Th + 4 OH– HfO(OH)2 + H2O + 4 e ⇌ Hf + 4 OH– No2+ + 2 e ⇌ No Dy3+ + e ⇌ Dy2+ Pm3+ + e ⇌ Pm2+ Be2O32– + 3 H2O + 4 e ⇌ 2 Be + 6 OH– Sm2+ + 2 e ⇌ Sm Mg(OH)2 + 2 e ⇌ Mg + 2 OH– Nd3+ + e ⇌ Nd2+ Mg+ + e ⇌ Mg Na+ + e ⇌ Na Yb2+ + 2 e ⇌ Yb Bk3+ + e ⇌ Bk2+ Ho3+ + e ⇌ Ho2+ Ra2+ + 2 e ⇌ Ra Eu2+ + 2 e ⇌ Eu Ca2+ + 2 e ⇌ Ca Sr(OH)2 + 2 e ⇌ Sr + 2 OH– Sr2+ + 2 e ⇌ Sr Fr+ + e ⇌ Fr La(OH)3 + 3 e ⇌ La + 3 OH– Ba2+ + 2 e ⇌ Ba K+ + e ⇌ K Rb+ + e ⇌ Rb Ba(OH)2 + 2 e ⇌ Ba + 2 OH– Er3+ + e ⇌ Er2+ Ca(OH)2 + 2 e ⇌ Ca + 2 OH– Cs+ + e ⇌ Cs Li+ + e ⇌ Li 3 N2 + 2 H+ + 2 e ⇌ 2 HN3 Pr3+ + e ⇌ Pr2+ Ca+ + e ⇌ Ca Sr+ + e ⇌ Sr
E°/V –2.3 –2.30 –2.30 –2.304 –2.31 –2.319 –2.323 –2.328 –2.33 –2.33 –2.331 –2.336 –2.353 –2.36 –2.372 –2.372 –2.379 –2.4 –2.40 –2.48 –2.50 –2.50 –2.6 –2.6 –2.63 –2.68 –2.690 –2.7 –2.70 –2.71 –2.76 –2.8 –2.8 –2.8 –2.812 –2.868 –2.88 –2.899 –2.9 –2.90 –2.912 –2.931 –2.98 –2.99 –3.0 –3.02 –3.026 –3.0401 –3.09 –3.1 –3.80 –4.10
REDUCTION AND OXIDATION POTENTIALS FOR CERTAIN ION RADICALS Petr Vanýsek
There are two tables for ion radicals. The first table lists reduction potentials for organic compounds which produce anion radicals during reduction, a process described as A + e– A–.. The second table lists oxidation potentials for organic compounds which produce cation radicals during oxidation, a process described as A A+. + e–. To obtain reduction potential for a reverse reaction, the sign for the potential is changed. Unlike the table of the Electrochemical Series, which lists standard potentials, values for radicals are experimental values with experimental conditions given in the second column. Since the measurements leading to potentials for ion radicals are very dependent on conditions, an attempt to report standard potentials for radicals would serve no useful purpose. For the same reason, the potentials are also reported as experimental values, usually a half-wave potential (E1/2 in polarography) or a peak potential (Ep in cyclic voltammetry). Unless otherwise stated, the values are reported vs. SCE (saturated calomel electrode). To obtain a value vs.
normal hydrogen electrode, 0.241 V has to be added to the SCE values. All the ion radicals chosen for inclusion in the tables result from electrochemically reversible reactions. More detailed data on ion radicals can be found in the Encyclopedia of Electrochemistry of Elements, (A. J. Bard, Ed.), Vol. XI and XII in particular, Marcel Dekker, New York, 1978. Abbreviations are: CV — cyclic voltammetry; DMF — N,NDimethylformamide; E swp — potential sweep; E° — standard potential; Ep — peak potential; Ep/2 — half-peak potential; E1/2 — half wave potential; M — mol/L; MeCN — acetonitrile; pol — polarography; rot Pt dsk — rotated Pt disk; SCE — saturated calomel electrode; TBABF4 — tetrabutylammonium tetrafluoroborate; TBAI — tetrabutylammonium iodide; TBAP — tetrabutylammonium perchlorate; TEABr — tetraethylammonium bromide; TEAP — tetraethylammonium perchlorate; THF — tetrahydrofuran; TPACF3SO3 — tetrapropylammonium trifluoromethanesulfite; TPAP — tetrapropylammonium perchlorate; and wr — wire.
Reduction Potentials (Products are Anion Radicals) Substance Acetone 1-Naphthyphenylacetylene 1-Naphthalenecarboxyaldehyde 2-Naphthalenecarboxyaldehyde 2-Phenanthrenecarboxaldehyde 3-Phenanthrenecarboxaldehyde 9-Phenanthrenecarboxaldehyde 1-Anthracenecarboxaldehyde 1-Pyrenecarboxaldehyde 2-Pyrenecarboxaldehyde Anthracene
9,10-Dimethylanthracene 1-Phenylanthracene 2-Phenylanthracene 8-Phenylanthracene 9-Phenylanthracene 1,8-Diphenylanthracene 1,9-Diphenylanthracene 1,10-Diphenylanthracene 8,9-Diphenylanthracene 9,10-Diphenylanthracene 1,8,9-Triphenylanthracene 1,8,10-Triphenylanthracene 9,10-Dibiphenylanthracene Benz(a)anthracene Azulene Annulene Benzaldehyde Benzil Benzophenone Chrysene Fluoranthrene Cyclohexanone
Conditions/electrode/technique DMF, 0.1 M TEABr/Hg/pol DMF, 0.03 M TBAI/Hg/pol -/Hg/pol -/Hg/pol -/Hg/pol -/Hg/pol -/Hg/pol -/Hg/pol -/Hg/pol -/Hg/pol DMF, 0.1 M TBAP/Pt dsk/CV DMF, 0.5 M TBABF4/Hg/CV MeCN, 0.1 M TEAP/Hg/CV DMF, 0.1 M TBAI/Hg/pol DMF, 0.1 M TBAP/Pt/CV MeCN, 0.1 M TBAP/Pt/CV DMF, 0.5 M TBABF2/Hg/CV DMF, 0.1 M TBAI/Hg/pol DMF, 0.1 M TBAI/Hg/pol DMF, 0.5 M TBABF4/Hg/CV DMF, 0.5 M TBABF4/Hg/CV DMF, 0.1 M TBAI/Hg/pol DMF, 0.5 M TBABF4/Hg/CV DMF, 0.1 M TBAI/Hg/pol DMF, 0.1 M TBAI/Hg/pol DMF, 0.5 M TBABF4/Hg/CV MeCN, 0.1 M TBAP/rot Pt/E swp DMF, 0.1 M TBAI/Hg/pol DMF, 0.5 M TBABF4/Hg/CV DMF, 0.5 M TBABF4/Hg/CV MeCN, 0.1 M TBAP/rot Pt/E swp MeCN, 0.1 M TEAP/Hg/CV MeCN, 0.1 M TEAP/Hg/pol DMF, 0.1 M TBAI/Hg/pol DMF, 0.5 M TBAP 0°C/Hg/pol DMF, 0.1 M TBAP/Hg/pol DMSO, 0.1 M TBAP/Hg/pol -/Hg/pol DMF/Pt dsk/CV MeCN, 0.1 M TEAP/Hg/pol DMF, 0.1 M TBAP/Pt dsk/CV DMF, 0.1 M TEABr/Hg/pol
Potential V (vs. SCE) E1/2 = –2.84 E1/2 = –1.91 E1/2 = –0.91 E1/2 = –0.96 E1/2 = –1.00 E1/2 = –0.94 E1/2 = –0.83 E1/2 = –0.75 E1/2 = –0.76 E1/2 = –1.00 Ep = –2.00 E1/2 = –1.93 E1/2 = –2.07 E1/2 = –1.92 Ep = –2.08 Ep = –2.10 E1/2 = –1.91 E1/2 = –1.878 E1/2 = –1.875 E1/2 = –1.91 E1/2 = –1.93 E1/2 = –1.863 E1/2 = –1.88 E1/2 = –1.846 E1/2 = –1.786 E1/2 = –1.90 E1/2 = –1.83 E1/2 = –1.835 E1/2 = –1.85 E1/2 = –1.81 E1/2 = –1.94 E1/2 = –2.11 E1/2 = –2.40a E1/2 = –1.10c E1/2 = –1.23 E1/2 = –1.67 E1/2 = –1.04 E1/2 = –1.80 E° = –1.72 E1/2 = –2.73a Ep = –1.76 E1/2 = –2.79
8-30
Section 8.indb 30
4/30/05 8:46:39 AM
Reduction and Oxidation Potentials for Certain Ion Radicals Substance 5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one 1,2,3-Indanetrione hydrate (ninhydrin) Naphthacene Naphthalene
1-Phenylnaphthalene 1,2-Diphenylnaphthalene Cyclopentanone Phenanthrene Pentacene Perylene 1,3-Diphenyl-1,3-propanedione 2,2-Dimethyl-1,3-diphenyl-1,3 propanedione Pyrene Diphenylsulfone Triphenylene 9,10-Anthraquinone 1,4-Benzoquinone 1,4-Naphthohydroquinone, dipotassium salt Rubrene Benzocyclooctatetraene sym-Dibenzocyclooctatetraene Ubiquinone-6 (9-Phenyl-fluorenyl)+ (Triphenylcyclopropenyl)+ (Triphenylmethyl)+ (Tribiphenylmethyl)+ (Tri-4-t-butyl-5-phenylmethyl)+ (Tri-4-isopropylphenylmethyl)+ (Tri-4-methylphenylmethyl)+ (Tri-4-cyclopropylphenylmethyl)+ (Tropylium)+
Anthracene 9,10-Dimethylanthracene 9,10-Dipropylanthracene 1,8-Diphenylanthracene 8,9-Diphenylanthracene 9,10-Diphenylanthracene Perylene Pyrene Rubrene Tetracene 1,4-Dithiabenzene 1,4-Dithianaphthalene Thianthrene a b c d e
Section 8.indb 31
Conditions/electrode/technique DMF, 0.5 M/Hg/pol DMF, 0.2 M NaNO3/Hg/pol DMF, 0.1 M TBAI/Hg/pol DMF, 0.1 M TBAP/Pt dsk/CV DMF, 0.5 M TBABF4/Hg/CV DMF, MeCN, 0.1 M TEAP/Hg/CV DMF, 0.1 M TBAI/Hg/pol DMF, 0.5 M TBABF4/Hg/CV DMF, 0.5 M TBABF4/Hg/CV DMF, 0.1 M TEABr/Hg/pol MeCN, 0.1 M TBAP/Pt wr/CV MeCN, 0.1 M TEAP/Hg/pol THF, 0.1 M TBAP/rot Pt dsk/E swp MeCN, 0.1 M TEAP/Hg/CV DMSO, 0.2 M TBAP/Hg/CV DMSO, TBAP/Hg/CV DMF, 0.1 M TBAP/Pt/CV MeCN, 0.1 M TEAP/Hg/pol DMF, TEABr MeCN, 0.1 M TEAP/Hg/pol DMF, 0.5 M TBAP, 20°/Pt dsk/CV MeCN, 0.1 M TEAP/Pt/CV DMF, 0.5 M TBAP, 20°/Pt dsk/CV DMF, 0.1 M TBAP/Pt dsk/CV DMF, 0.1 M TBAI/Hg/pol THF, 0.1 M TBAP/Hg/pol THF, 0.1 M TBAP/Hg/pol MeCN, 0.1 M TEAP/Pt/CV 10.2 M H2SO4/Hg/CV MeCN, 0.1 M TEAP/Hg/CV MeCN, 0.1 M TBAP/Hg/pol H2SO4, 10.2 M/Hg/CV MeCN, 0.1 M TBAP/Hg/pol MeCN, 0.1 M TBAP/Hg/pol MeCN, 0.1 M TBAP/Hg/pol MeCN, 0.1 M TBAP/Hg/pol MeCN, 0.1 M TBAP/Hg/pol MeCN, 0.1 M TBAP/Hg/pol DMF, 0.15 M TBAI/Hg/pol DMF, 0.15 M TBAI/Hg/pol DMF, 0.15 M TBAI/Hg/pol DMF, 0.15 M TBAI/Hg/pol DMF, 0.15 M TBAI/Hg/pol DMF, 0.15 M TBAI/Hg/pol DMF, 0.15 M TBAI/Hg/pol
Oxidation Potentials (Products are Cation Radicals)
CH2Cl2, 0.2 M TBABF4, –70°C/Pt dsk/CV MeCN, 0.1 M LiClO4/Pt wr/CV MeCN, 0.1 M TEAP/Pt/CV CH2Cl2, 0.2 M TPrACF3SO3/rot Pt wr/E swp CH2Cl2, 0.2 M TPrACF3SO3/rot Pt wr/E swp MeCN/Pt/CV MeCN, 0.1 M TBAP/Pt/CV DMF, 0.1 M TBAP/Pt dsk/CV DMF, 0.1 M TBAP/Pt dsk/CV CH2Cl2, 0.2 M TBABF4, –70°C/Pt wr/CV MeCN, 0.1 M TEAP/Pt dsk/rot MeCN, 0.1 M TEAP/Pt dsk/rot 0.1 M TPAP/Pt/CV
8-31 Potential V (vs. SCE) E1/2 = –1.71 E1/2 = –0.039 E1/2 = –1.53 Ep = –2.55 E1/2 = –2.56 E1/2 = –2.63 E1/2 = –2.50 E1/2 = –2.36 E1/2 = –2.25 E1/2 = –2.82 E1/2 = –2.47 E1/2 = –2.88a E1/2 = –1.40 E1/2 = –1.73 E1/2 = –1.42 E1/2 = –1.80 Ep = –2.14 E1/2 = –2.49a E1/2 = –2.16 E1/2 = –2.87a E1/2 = –1.01 Ep = –0.54 E1/2 = –1.55 Ep = –1.48 E1/2 = –1.410 E1/2 = –2.13 E1/2 = –2.29 Ep = –1.05e Ep = –0.01b Ep = –1.87 E1/2 = 0.27 Ep = –0.58b E1/2 = 0.19 E1/2 = 0.13 E1/2 = 0.07 E1/2 = 0.05 E1/2 = 0.01 E1/2 = –0.17 E1/2 = –1.55 E1/2 = –1.55 E1/2 = –1.57 E1/2 = –1.60 E1/2 = –1.87 E1/2 = –1.96 E1/2 = –2.05 Ep = +0.73d Ep = +1.0 Ep = +1.08 E1/2 = +1.34 E1/2 = +1.30 Ep = +1.22 Ep = +1.34 Ep = +1.25 Ep = +1.10 Ep = +0.35d E1/2 = +0.69 E1/2 = +0.80 E1/2 = +1.28
vs 0.01 M Ag/AgClO4 vs. Hg/Hg2SO4, 17 M H2SO4 vs Hg pool vs Ag/saturated AgNO3 vs Ag/0.01 M Ag+
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pH SCALE FOR AQUEOUS SOLUTIONS A.K. Covington A Working Party of IUPAC, after extensive considerations over five years, has recently produced a report (1) which sets pH firmly within the International System of Units (SI). A summary of these important developments is given below. The concept of pH is unique amongst the commonly encountered physicochemical quantities in that, in terms of its definition, pH = − lg aH
(1)
1
/2 H2 + AgCl → Ag(s) + H+ + Cl-
yields the potential difference EI of the cell (corrected to 1 atm (101.325 kPa), the partial pressure of hydrogen gas used in electrochemistry in preference to 100 kPa) as EI= Eo – (RT /F)ln 10 lg [(mHγH/mo)(mClγCl/mo)]
(3)
which can be rearranged, since aH = mHγH/mo, to give the acidity function
it involves a single ion quantity, the activity of the hydrogen ion, which is immeasurable by any thermodynamically valid method and requires a convention for its evaluation. pH was originally defined by Sørensen (2) in terms of the concentration of hydrogen ions (in modern nomenclature) as pH = − lg (cH/co) where cH is the hydrogen ion concentration in mol dm-3, and co = 1 mol dm-3 is the standard amount concentration. Subsequently (3), it was accepted as more satisfactory to define pH in terms of the relative activity of hydrogen ions in solution
where Eo is the standard potential difference of the cell, and hence of the silver-silver chloride electrode, and γCl is the activity coefficient of the chloride ion. The standard potential difference of the silver/silver chloride electrode, Eo, is determined from a Harned cell in which only HCl is present at a fixed molality (e.g. m = 0.01 mol kg-1)
pH = − lg aH = − lg (mHγH /mo)
Pt | H2 | HCl (m)| AgCl | Ag
(2)
where aH is the relative (molality basis) activity and γH is the molal activity coefficient of the hydrogen ion H+ at the molality mH , and mo the standard molality. The quantity pH is intended to be a measure of the activity of hydrogen ions in solution. However, since it is defined in terms of a quantity that cannot be measured by a thermodynamically valid method, eqn.(2) can only be considered a notional definition of pH. pH being a single ion quantity, it is not determinable in terms of a fundamental (or base) unit of any measurement system, and there is difficulty providing a proper basis for the traceability of pH measurements. A satisfactory approach is now available in that pH determinations can be incorporated into the International System (SI) if they can be traced to measurements made using a method that fulfils the definition of a ‘primary method of measurement’ (4). The essential feature of a primary method is that it must operate according to a well-defined measurement equation in which all of the variables can be determined experimentally in terms of SI units. Any limitation in the determination of the experimental variables, or in the theory, must be included within the estimated uncertainty of the method if traceability to the SI is to be established. If a convention were used without an estimate of its uncertainty, true traceability to SI would not be established. The electrochemical cell without liquid junction, known as the Harned cell (5), fulfils the definition of a primary method for the measurement of the acidity function, p(aHγCl), and subsequently of the pH of buffer solutions. The Harned cell is written as Pt | H2 | buffer S, Cl- | AgCl | Ag
Cell I
and contains a standard buffer, S, with chloride ions, as potassium or sodium chloride, added in order to use the silver-silver chloride electrode as reference electrode. The application of the Nernst equation to the spontaneous cell reaction of Cell I:
8-32
p(aH γCl) = − lg(aHγCl) = (EI – Eo)/[(RT/F)ln10] + lg(mCl/mo) (4)
Cell Ia
The application of the Nernst equation to the HCl cell (Ia) gives EIa = Eo – (2RT /F)ln 10 lg[(mHCl/mo)(γ±HCl)]
(5)
where EIa has been corrected to 1 atmosphere partial pressure of hydrogen gas (101.325 kPa) and γ±HCl is the mean ionic activity coefficient of HCl. Values of the activity coefficient (γ±HCl) at molality 0.01 mol kg-1 and various temperatures were given by Bates and Robinson (6). The standard potential difference depends on the method of preparation of the electrodes, but individual determinations of the activity coefficient of HCl at 0.01 mol kg-1 are more uniform than values of Eo. Hence the practical determination of the potential difference of the cell with HCl at 0.01 mol kg-1 is recommended at 298.15 K at which the mean ionic activity coefficient is 0.904. (It is unnecessary to repeat the measurement of Eo at other temperatures but simply to correct published smoothed values by the observed difference in E0 at 298.15 K) In national metrology institutes (NMIs), measurements of Cells I and Ia are often done simultaneously in a thermostat bath. Subtracting eqn.(5) from (3) gives ∆E = EI - EIa = − (RT /F)ln 10{lg[(mHγH/mo)(mClγCl/mo)] − lg[(mHCl/mo) 2γ2±HCl]}
(6)
which is independent of the standard potential difference. Therefore, the subsequently calculated pH does not depend on the standard potential difference and hence does not depend on the assumption that the standard potential of the hydrogen electrode is zero at all temperatures. Therefore, the Harned cell gives an exact comparison between hydrogen ion activities at different temperatures. The quantity p(aHγCl) = − lg (aHγCl), on the left hand side of (4), is called the acidity function (5). To obtain the quantity pH according to eqn. (2) from the acidity function, it is necessary to evaluate lg γCl independently. This is done in two steps: (i) the
8-33
pH Scale for Aqueous Solutions
value of lg (aHgCl) at zero chloride molality, lg (aHgCl)o, is evaluated and (ii) a value for the activity of the chloride ion goCl , at zero chloride molality (sometimes referred to as the limiting or ‘trace’ activity coefficient) is calculated using the Bates-Guggenheim convention (7). The value of lg (aHgCl)o corresponding to zero chloride molality is determined by linear extrapolation of measurements using Harned cells with at least three added molalities of sodium or potassium chloride (I < 0.1 mol kg-1). The value of lg (aHgCl)o corresponding to zero chloride molality is determined by linear extrapolation of measurements using Harned cells with at least three added molalities of sodium or potassium chloride (I < 0.1 mol kg-1) in accord with eqn. (7): - lg (aHgCl) = - lg (aHgCl)o + SmCl
(7)
where S is an empirical, temperature dependent, constant. The Bates-Guggenheim convention (7) assumes that the trace activity coefficient of the chloride ion goCl is given by lg goCl = - A I 1/2 / ( 1 + Ba I 1/2)
(8)
where A is the Debye-Hückel temperature dependent constant (limiting slope), a is the mean distance of closest approach of the ions (ion size parameter), Ba is set equal to 1.5 (mol kg-1)-1/2 at all temperatures in the range 5-50 o C, and I is the ionic strength of the buffer (which for its evaluation requires knowledge of appropriate acid dissociation constants). The various stages in the assignment of primary standard pH values are combined in eqn. (9), which is derived from eqns. (4), (5) and (8) pH(PS) = lim mCl Æ 0 {(EI – Eo)/[(RT /F)ln 10] + lg (mCl/mo)} - AI1/2/[1 + 1.5 (I/mo)1/2] (9) In order for a particular buffer solution to be considered a primary buffer solution, it must be of the “highest metrological” quality (4) in accordance with the definition of a primary standard. It is recommended that it have the following attributes (9): 1. High buffer value in the range 0.016-0.07 (mol OH–)/ pH. 2. Small dilution value at half concentration (change in pH with change in buffer concentration) in the range 0.01-0.20. 3. Small dependence of pH on temperature less than ± 0.01 K-1. 4. Low residual liquid junction potential < 0.01 in pH. 5. Ionic strength ≤0.1 mol kg-1 to permit applicability of Bates-Guggenheim convention. 6. NMI certificate for specific batch. 7. Reproducible purity of preparation (lot to lot differences of |DpH(PS)| < 0.003). 8. Long term stability of stored solid material. Values for the above and other important parameters for the primary and secondary buffer materials are given in Table 1.
Primary Standard Buffers As there can be significant variations in the purity of samples of a buffer of the same nominal chemical composition, it is essential that the primary buffer material used has been certified with values that have been measured with Cell I. The Harned cell is used
by many national metrological institutes for accurate measurements of pH of buffer solutions. Typical values of the pH(PS) of the seven solutions from the six accepted primary standard reference buffers, which meet the conditions stated above, are listed in Table 2. Batch-to-batch variations in purity can result in changes in the pH value of samples of at most 0.003. The typical values in Table 2 should not be used in place of the certified value (from a Harned cell measurement) for a specific batch of buffer material. The required attributes listed above effectively limit the range of primary buffers available to between pH 3 and 10 (at 25 oC). Calcium hydroxide and potassium tetraoxalate are excluded because the contribution of hydroxide or hydrogen ions to the ionic strength is significant. Also excluded are the nitrogen bases of the type BH+ (such as tris(hydroxymethyl)aminomethane and piperazine phosphate) and the zwitterionic buffers (e.g. HEPES and MOPS (10)). These do not comply because either the Bates-Guggenheim convention is not applicable, or the liquid junction potentials are high. This means the choice of primary standards is restricted to buffers derived from oxy-carbon, -phosphorus, -boron and mono, di- and tri-protic carboxylic acids. The uncertainties (11) associated with Harned cell measurements are calculated (1) to be 0.004 in pH at NMIs, with typical variation between batches of primary standard buffers of 0.003.
Secondary Standards Substances that do not fulfil all the criteria for primary standards, but to which pH values can be assigned using Cell I are considered to be secondary standards (Table 3). Reasons for their exclusion as primary standards include difficulties in achieving consistent and suitable chemical quality (e.g. acetic acid is a liquid), suspected high liquid junction potential, or inappropriateness of the Bates-Guggenheim convention (e.g. other charge-type buffers). The uncertainty is higher (e.g. 0.01) for biological buffers. Certain other substances, which cannot be used in cells containing hydrogen gas electrodes, are also classed as secondary standards. Calibration Procedures (a) One-point calibration A single point calibration is insufficient to determine both slope and one-point parameters. The theoretical value for the slope can be assumed but the practical slope may be up to 5% lower. Alternatively, a value for the practical slope can be assumed from the manufacturer’s prior calibration. The one-point calibration therefore yields only an estimate of pH(X). Since both parameters may change with age of the electrodes, this is not a reliable procedure. (b) Two-point calibration [target uncertainty: 0.02-0.03 at 25 oC] In the majority of practical applications, glass electrodes cells are calibrated by a two-point calibration, or bracketing, procedure using two standard buffer solutions, with pH values, pH(S1) and pH(S2), bracketing the unknown pH(X). Bracketing is often taken to mean that the pH(S1) and pH(S2) buffers selected from Table 2 should be those that are immediately above and below pH(X). This may not be appropriate in all situations and choice of a wider range may be better.
pH Scale for Aqueous Solutions
8-34
(c) Multi-point calibration [target uncertainty: 0.01-0.03 at 25 oC]. Multi-point calibration is carried out using up to five standard buffers . The use of more than five points yields no significant improvement in the statistical information obtainable. Details of uncertainty computations (11) have been given (1).
Measurement of pH and choice of pH Standard Solutions 1a) If pH is not required to better than ±0.05 any pH standard solution may be selected. 1b) If pH is required to ±0.002 and interpretation in terms of hydrogen ion concentration or activity is desired, choose a standard solution, pH(PS), to match X as closely as possible in terms of pH, composition and ionic strength. 2) Alternatively, a bracketing procedure may be adopted whereby two standard solutions are chosen whose pH values, pH(S1), pH(S2) are on either side of pH(X). Then if the corresponding potential difference measurements are E(S1), E(S2), E(X), then pH(X) is obtained from pH(X) = pH(S1) + [E(X) - E(S1)]/ %k where %k = 100[E(S2) - E(S1)]/[pH(S2) - pH(S1)] is the apparent percentage slope. This procedure is very easily done on some pH meters simply by adjusting downwards the slope factor control with the electrodes in S2. The purpose of the bracketing procedure is to compensate for deficiencies in the electrodes and measuring system.
Information to be given about the measurement of pH(X) The standard solutions selected for calibration of the pH meter system should be reported with the measurement as follows: System calibrated with pH(S) = .... at ...K. System calibrated with two primary standards, pH(PS1) =.... and pH(PS2) =....at ....K. System calibrated with n standards, pH(S1) =.... , pH(S2) =.... etc. at....K.
Interpretation of pH(X) in terms of hydrogen ion concentration The defined pH has no simple interpretation in terms of hydrogen ion concentration but the mean ionic activity coefficient of a typical 1:1 electrolyte can be used to obtain hydrogen ion concentration subject to an uncertainty of 3.9% in concentration, corresponding to 0.02 in pH.
References 1. Buck, R.P., Rondinini, S., Covington, A.K., Baucke, F.G.K., Brett, C.M.A., Camoes, M.F.C., Milton, M.J.T., Mussini, T., Naumann, R., Pratt, K.W., Spitzer, P., and Wilson, G.S. Pure Appl. Chem., 74, 2105, 2002. 2. Sørensen, S.P.L. Comp. Rend.Trav. Lab. Carlsberg, 8, 1, 1909. 3. Sørensen, S.P.L., and Linderstrøm-Lang, K.L., Comp. Rend. Trav. Lab. Carlsberg, 15, 1924. 4. BIPM, Com. Cons. Quantité de Matière 4, 1998. See also M.J.T. Milton and T.J. Quinn, Metrologia 38, 289, 2001. 5. Harned H.S., and Owen, B.B., The Physical Chemistry of Electrolytic Solutions, Ch 14, Reinhold, New York, 1958. 6. Bates R.G., and Robinson, R.A., J. Soln. Chem. 9, 455, 1980. 7. Bates R.G., and Guggenheim, E.A., Pure Appl. Chem. 1, 163, 1960. 8. International Vocabulary of Basic and General Terms in Metrology (VIM), Beuth, Berlin, 2nd. Edn. 1994. 9. Bates, R.G. Determination of pH, Wiley, New York, 1973. 10. Good, N.E. et al., Biochem. J. 5, 467, 1966. 11. Guide to the Expression of Uncertainty (GUM), BIPM, IEC, IFCC, ISO, IUPAC, IUPAP, OIML, 1993.
TABLE 1. Summary of Useful Properties of Some Primary and Secondary Standard Buffer Substances and Solutions
Salt or solid substance
Formula
Molality/ mol kg-1
Molar mass/ g mol–1
Density/ g/mL
Amount Buffer pH b)/ Temperature conc. at Mass/g Dilution value (b 20oC/ to make value mol OH– coefficient/ DpH1/2 mol dm–3 1 dm3 dm-3 K–1
Potassium tetroxalate dihydrate
KH3C4O8◊2H2O
0.1
254.191
1.0091
0.09875
25.101
Potassium tetraoxalate dihydrate
KH3C4O8◊2H2O
0.05
254.191
1.0032
0.04965
12.620
0.186
0.070
0.001
Potassium hydrogen tartrate (sat at 25°C)
KHC4H4O6
0.0341
188.18
1.0036
0.034
6.4
0.049
0.027
- 0.0014
Potassium dihydrogen citrate
KH2C6H5O7
0.05
230.22
1.0029
0.04958
11.41
0.024
0.034
- 0.022
Potassium hydrogen phthalate
KHC8H4O4
0.05
204.44
1.0017
0.04958
10.12
0.052
0.016
0.00012
Disodium hydrogen orthophosphate +
Na2HPO4
0.025
141.958
1.0038
0.02492
3.5379
0.080
0.029
- 0.0028
8-35
pH Scale for Aqueous Solutions
Salt or solid substance
Formula
Molality/ mol kg-1
Molar mass/ g mol–1
potassium dihydrogen orthophosphate
KH2PO4
0.025
136.085
Disodium hydrogen orthophosphate +
Na2HPO4
0.03043
141.959
potassium dihydrogen orthophosphate
KH2PO4
0.00869
136.085
Disodium tetraborate decahydrate
Na2B4O7◊10H2O
0.05
381.367
Disodium tetraborate decahydrate
Na2B4O7◊10H2O
0.01
Sodium hydrogen carbonate +
NaHCO3
sodium carbonate Calcium hydroxide (sat. at 25°C)
Density/ g/mL
Amount Buffer pH b)/ Temperature conc. at Mass/g Dilution value (b 20oC/ to make value mol OH– coefficient/ DpH1/2 mol dm–3 1 dm3 dm-3 K–1 3.3912
1.0020
0.08665
4.302
0.07
0.016
- 0.0028
0.03032
1.179
1.0075
0.04985
19.012
381.367
1.0001
0.00998
3.806
0.01
0.020
- 0.0082
0.025
84.01
1.0013
0.02492
2.092
0.079
0.029
-0.0096
Na2CO3
0.025
105.99
Ca(OH)2
0.0203
74.09
0.9991
0.02025
1.5
-0.28
0.09
-0.033
2.640
TABLE 2. Typical Values of pH(PS) for Primary Standards at 0–50°C Temperature in °C Primary standards (PS)
0
5
10
15
20
Sat. potassium hydrogen tartrate (at 25°C)
25
30
35
37
40
50
3.557
3.552
3.549
3.548
3.547
3.549
0.05 mol kg-1 potassium dihydrogen citrate
3.863
3.840
3.820
3.802
3.788
3.776
3.766
3.759
3.756
3.754
3.749
0.05 mol kg-1 potassium hydrogen phthalate
4.000
3.998
3.997
3.998
4.000
4.005
4.011
4.018
4.022
4.027
4.050
0.025 mol kg-1 disodium hydrogen phosphate + 0.025 mol kg-1 potassium dihydrogen phosphate
6.984
6.951
6.923
6.900
6.881
6.865
6.853
6.844
6.841
6.838
6.833
0.03043 mol kg-1 disodium hydrogen phosphate + 0.008695 mol kg-1 potassium dihydrogen phosphate
7.534
7.500
7.472
7.448
7.429
7.413
7.400
7.389
7.386
7.380
7.367
0.01 mol kg-1 disodium tetraborate
9.464
9.395
9.332
9.276
9.225
9.180
9.139
9.102
9.088
9.068
9.011
10.317
10.245
10.179
10.118
10.062
10.012
9.966
9.926
9.910
9.889
9.828
-1
0.025 mol kg sodium hydrogen carbonate + 0.025 mol kg-1 sodium carbonate
pH Scale for Aqueous Solutions
8-36
TABLE 3. Values of pH(SS) of Some Secondary Standards from Harned Cell I Measurements Temperature in °C Secondary standards 0.05 mol kg-1 potassium tetroxalatea 0.05 mol kg-1 sodium hydrogen diglycolateb 0.1 mol dm-3 acetic acid + 0.1 mol dm-3 sodium acetate mol dm-3 acetic acid + 0.1 mol dm-3 sodium acetate 0.02 mol kg-1 piperazine phosphate c 0.05 mol kg-1 tris hydrochloride + 0.01667 mol kg-1 tris c 0.05 mol kg-1 disodium tetraborate Saturated (at 25 oC) calcium hydroxide a b c
0
5
10
15
20
25
30
37
40
50
1.67 4.68
1.67 3.47 4.67
1.67 3.47 4.67
1.67 3.48 4.66
1.68 3.48 4.66
1.68 3.49 4.65
1.68 3.50 4.65
1.69 3.52 4.66
1.69 3.53 4.66
1.71 3.56 4.68
4.74
4.73
4.73
4.72
4.72
4.72
4.72
4.73
4.73
4.75
6.58 8.47
6.51 8.30
6.45 8.14
6.39 7.99
6.34 7.84
6.29 7.70
6.24 7.56
6.16 7.38
6.14 7.31
6.06 7.07
9.51 13.42
9.43 13.21
9.36 13.00
9.30 12.81
9.25 12.63
9.19 12.45
9.15 12.29
9.09 12.07
9.07 11.98
9.01 11.71
Potassium trihydrogen dioxalate (KH3C4O8) Sodium hydrogen 2,2â&#x20AC;&#x2122;-oxydiacetate 2-Amino-2-(hydroxymethyl)-1,3 propanediol or tris(hydroxymethyl)aminomethane
PRACTICAL pH MEASUREMENTS ON NATURAL WATERS A. K. Covington and W. Davison (1) Dilute solutions and freshwater including ‘acid-rain’ samples (I < 0.02 mol kg-1) Major problems could be encountered due to errors associated with the liquid junction. It is recommended that either a free diffusion junction is used or it is verified that the junction is working correctly using dilute solutions as follows. For commercial electrodes calibrated with IUPAC aqueous RVS or PS standards, the pH(X) of dilute solutions should be within ±0.02 of those given in Table 1. The difference in determined pH(X) between a stirred and unstirred dilute solution should be < 0.02. The characteristics of glass electrodes are such that below pH 5 the readings should be stable within 2 min, but for pH 5 to 8.8 or so minutes may be necessary to attain stability. Interpretation of pH(X) measured in this way in terms of activity of hydrogen ion, aH+ is subject1 to an uncertainty of ±0.02 in pH. (2) Seawater Measurements made by calibration of electrodes with IUPAC aqueous RVS or PS standards to obtain pH(X) are perfectly valid. However, the interpretation of pH(X) in terms of the activity of hydrogen ion is complicated by the non zero residual liquid junction potential as well as by systematic differences between electrode pairs, principally attributable to the reference electrode. For 35‰ salinity seawater (S = 0.035) aH+ calculated from pH(X) is typically 12% too low. Special seawater pH scales have been devised to overcome this problem: (i) The total hydrogen ion scale, pHT, is defined in terms of the sum of free and complexed (total) hydrogen ion concentrations, where CH = [H+] + [HSO4-] + [HF].
Values of pHF as a function of temperature have been assigned to the same set of pHT seawater buffers,and so alternatively can be used for calibration (Tables 2, 3) 2,3 (3) Estuarine water Prescriptions for seawater scale buffers are available for a range of salinities. Reliable estuarine pH measurements can be made by calibrating with a buffer of the same salinity as the sample. However, these buffers are difficult to prepare and their use presumes prior knowledge of salinity of the sample. Interpretable measurements of estuarine pH can be made by calibration with IUPAC aqueous RVS or PS standards if the electrode pair is additionally calibrated using a 20‰ salinity seawater buffer.4 The difference between the assigned pHSWS of the seawater buffer and its measured pH(X) value using RVS or PS standards is ∆pH = pHSWS - pH(X) Values of ∆pH should be in the range of 0.08 to 0.18. It empirically corrects for differences between the two pH scales and for measurement errors associated with the electrode pair. The pH(X) of samples measured using IUPAC aqueous buffers, can be converted to pHT or pHF using the appropriate measured ∆pH: pHT = pH(X) - ∆pH or pHF = pH(X) - ∆pH This simple procedure is appropriate to pH measurement at salinities from 2‰ to 35‰. For salinities lower than 2‰ the procedures for freshwaters should be adopted.
T
So, pHT = - log TCH Calibration of the electrodes with a buffer having a composition similar to that of seawater, to which pHT has been assigned, results in values of pHT(X) (Tables 2, 3) which are accurately interpretable in terms of TCH. (ii) The free hydrogen ion scale, pHF, is defined, and fully interpretable, in terms of the concentration of free hydrogen ions. pHF = - log [H+]
References 1. Davison, W. and Harbinson, T. R., Analyst, 113, 709, 1988. 2. Culberson, C. H., in Marine Electrochemistry, Whitfield, M. and Jagner, D., Eds., Wiley, 1981. 3. Millero, F. J., Limnol. Oceanogr., 31, 839, 1986. 4. Covington, A. K., Whalley, P. D., Davison, W., and Whitfield, M., in The Determination of Trace Metals in Natural Waters, West, T. S. and Nurnberg, H. W., Eds., Blackwell, Oxford, 1988. 5. Koch, W. F., Marinenko, G., and Paule, R. C., J. Res. NBS, 91, 33, 1986.
8-37
Section 8.indb 37
4/30/05 8:46:41 AM
Practical pH Measurements on Natural Waters
8-38
TABLE 1. pH of Dilute Solutions at 25°C, Degassed and Equilibrated with Air, Suitable as Quality Control Standards Potassium hydrogen phthalate xKH2PO4 + xNa2HPO4 xKH2PO4 + 3.5xNa2HPO4 Na2B4O7 ⋅ 10H2O HCl SRM2694-Ia SRM2694-IIa
Ionic strength mmol kg–1 10.7 1.1 9.9 10 10 0.1 — —
Concentration(x) mmol kg–1 10 1 2.5 0.87 5 0.1 — —
pH pCO2 = 0
4.12 4.33 7.07 7.61 9.20 4.03 4.30 3.59
pH pCO2 = air 4.12 4.33 7.05 7.58 — 4.03 — —
Note: The pH of solutions near to pH 4 is virtually independent of temperature over the range of 5 to 30°C. a Simulated rainwater samples are available (Reference 5) from NIST containing sulfate, nitrate, chloride, fluoride, sodium, potassium, calcium and magnesium.
Solute NaCl Na2SO4 KCl CaCl2 MgCl2 Tris Tris ⋅ HCl
TABLE 2. Composition of Seawater Buffer of Salinity S = 35‰ at 25°C (Reference 3) mol dm–3 0.3666 0.02926 0.01058 0.01077 0.05518 0.06 0.06
mol kg–1 0.3493 0.02788 0.01008 0.01026 0.05258 0.05717 0.05717
g kg–1 20.416 3.96 0.752 1.139 5.006 6.926 9.010
g dm–3 20.946 4.063 0.772 1.169 5.139 7.106 9.244
Tris = tris(hydroxymethyl)aminomethane (HOCH2)3CNH2. A 20‰ buffer is made by diluting the 35‰ in the ratio 20:35.
TABLE 3. Assigned Values of 20‰ and 35‰ Buffers on Free and Total Hydrogen Ion Scales. Calculated from Equations Provided by Millero (Reference 3) Temp (°C) 5 10 15 20 25 30 35
Section 8.indb 38
pHT S = 20‰ 8.683 8.513 8.351 8.195 8.045 7.901 7.762
pHT S = 35‰ 8.718 8.542 8.374 8.212 8.057 7.908 7.764
pHF S = 20‰ 8.759 8.597 8.442 8.292 8.149 8.011 7.879
pHF S = 35‰ 8.81 8.647 8.491 8.341 8.197 8.059 7.926
4/30/05 8:46:41 AM
BUFFER SOLUTIONS GIVING ROUND VALUES OF pH AT 25°C pH 1.00 1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90 2.00 2.10 2.20
pH 8.00 8.10 8.20 8.30 8.40 8.50 8.60 8.70 8.80 8.90 9.00 9.10
A. B. C. D. E. F. G. H. I. J.
F
A
x 67.0 52.8 42.5 33.6 26.6 20.7 16.2 13.0 10.2 8.1 6.5 5.10 3.9
x 20.5 19.7 18.8 17.7 16.6 15.2 13.5 11.6 9.6 7.1 4.6 2.0
pH 9.20 9.30 9.40 9.50 9.60 9.70 9.80 9.90 10.00 10.10 10.20 10.30 10.40 10.50 10.60 10.70 10.80
pH 2.20 2.30 2.40 2.50 2.60 2.70 2.80 2.90 3.00 3.10 3.20 3.30 3.40 3.50 3.60 3.70 3.80 3.90 4.00
G
B
x 0.9 3.6 6.2 8.8 11.1 13.1 15.0 16.7 18.3 19.5 20.5 21.3 22.1 22.7 23.3 23.8 24.25
x 49.5 45.8 42.2 38.8 35.4 32.1 28.9 25.7 22.3 18.8 15.7 12.9 10.4 8.2 6.3 4.5 2.9 1.4 0.1
pH 4.10 4.20 4.30 4.40 4.50 4.60 4.70 4.80 4.90 5.00 5.10 5.20 5.30 5.40 5.50 5.60 5.70 5.80 5.90
pH 9.60 9.70 9.80 9.90 10.00 10.10 10.20 10.30 10.40 10.50 10.60 10.70 10.80 10.90 11.00
H
C
x 1.3 3.0 4.7 6.6 8.7 11.1 13.6 16.5 19.4 22.6 25.5 28.8 31.6 34.1 36.6 38.8 40.6 42.3 43.7
x 5.0 6.2 7.6 9.1 10.7 12.2 13.8 15.2 16.5 17.8 19.1 20.2 21.2 22.0 22.7
pH 5.80 5.90 6.00 6.10 6.20 6.30 6.40 6.50 6.60 6.70 6.80 6.90 7.00 7.10 7.20 7.30 7.40 7.50 7.60 7.70 7.80 7.90 8.00
pH 10.90 11.00 11.10 11.20 11.30 11.40 11.50 11.60 11.70 11.80 11.90 12.00
D
I
x 3.6 4.6 5.6 6.8 8.1 9.7 11.6 13.9 16.4 19.3 22.4 25.9 29.1 32.1 34.7 37.0 39.1 40.9 42.4 43.5 44.5 45.3 46.1
x 3.3 4.1 5.1 6.3 7.6 9.1 11.1 13.5 16.2 19.4 23.0 26.9
pH 7.00 7.10 7.20 7.30 7.40 7.50 7.60 7.70 7.80 7.90 8.00 8.10 8.20 8.30 8.40 8.50 8.60 8.70 8.80 8.90 9.00
pH 12.00 12.10 12.20 12.30 12.40 12.50 12.60 12.70 12.80 12.90 13.00
E
x 46.6 45.7 44.7 43.4 42.0 40.3 38.5 36.6 34.5 32.0 29.2 26.2 22.9 19.9 17.2 14.7 12.2 10.3 8.5 7.0 5.7
J
x 6.0 8.0 10.2 12.8 16.2 20.4 25.6 32.2 41.2 53.0 66.0
25 ml of 0.2 molar KCl + x ml of 0.2 molar HCl. 50 ml of 0.1 molar potassium hydrogen phthalate + x ml of 0.1 molar HCl. 50 ml of 0.1 molar potassium hydrogen phthalate + x ml of 0.1 molar NaOH. 50 ml of 0.1 molar potassium dihydrogen phosphate + x ml of 0.1 molar NaOH. 50 ml of 0.1 molar tris(hydroxymethyl)aminomethane + x ml of 0.1 M HCl. 50 ml of 0.025 molar borax + x ml of 0.1 molar HCl. 50 ml of 0.025 molar borax + x ml of 0.1 molar NaOH. 50 ml of 0.05 molar sodium bicarbonate + x ml of 0.1 molar NaOH. 50 ml of 0.05 molar disodium hydrogen phosphate + x ml of 0.1 molar NaOH. 25 ml of 0.2 molar KCl + x ml of 0.2 molar NaOH.
Final volume of mixtures = 100 ml.
References 1. Bower, V. E., and Bates, R. G., J. Res. Natl. Bur. Stand., 55, 197, 1955 (A–D). 2. Bates, R. G., and Bower, V. E., Anal. Chem., 28, 1322, 1956 (E–J).
8-39
Section 8.indb 39
4/30/05 8:46:42 AM
DISSOCIATION CONSTANTS OF INORGANIC ACIDS AND BASES The data in this table are presented as values of pKa, defined as the negative logarithm of the acid dissociation constant Ka for the reaction
can be calculated from the equation OH− NH 4 + K b = K water /K a = [ NH 3 ]
BH B– + H+ Thus pKa = –log Ka , and the hydrogen ion concentration [H+] can be calculated from H+ B− Ka = [ BH ] In the case of bases, the entry in the table is for the conjugate acid; e.g., ammonium ion for ammonia. The OH– concentration in the system
where Kwater = 1.01 × 10–14 at 25 °C. Note that pKa + pKb = pKwater. All values refer to dilute aqueous solutions at zero ionic strength at the temperature indicated. The table is arranged alphabetically by compound name.
Reference 1. Perrin, D. D., Ionization Constants of Inorganic Acids and Bases in Aqueous Solution, Second Edition, Pergamon, Oxford, 1982.
NH3 + H2O NH4+ + OH– Name Aluminum(III) ion Ammonia Arsenic acid
Formula Al+3 NH3 H3AsO4
Arsenious acid Barium(II) ion Boric acid
H2AsO3 Ba+2 H3BO3
Calcium(II) ion Carbonic acid
Ca+2 H2CO3
Chlorous acid Chromic acid
HClO2 H2CrO4
Cyanic acid Germanic acid
HCNO H2GeO3
Hydrazine Hydrazoic acid Hydrocyanic acid Hydrofluoric acid Hydrogen peroxide Hydrogen selenide
N2H4 HN3 HCN HF H2O2 H2Se
Hydrogen sulfide
H2S
Hydrogen telluride
H2Te
Hydroxylamine Hypobromous acid Hypochlorous acid Hypoiodous acid Iodic acid Lithium ion Magnesium(II) ion Nitrous acid Perchloric acid Periodic acid Phosphoric acid
NH2OH HBrO HClO HIO HIO3 Li+ Mg+2 HNO2 HClO4 HIO4 H3PO4
Step
1 2 3
1 2 1 2 1 2 1 2
1 2 1 2 1 2
1
t/°C 25 25 25 25 25 25 25 20 20 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 18 25 25 25 25 25 25 25 25 25 20 25 25
pKa 5.0 9.25 2.26 6.76 11.29 9.29 13.4 9.27 >14 12.6 6.35 10.33 1.94 0.74 6.49 3.46 9.01 12.3 8.1 4.6 9.21 3.20 11.62 3.89 11.0 7.05 19 2.6 11 5.94 8.55 7.40 10.5 0.78 13.8 11.4 3.25 -1.6 1.64 2.16
8-40
Section 8.indb 40
4/30/05 8:46:44 AM
Dissociation Constants of Inorganic Acids and Bases Name
Section 8.indb 41
Formula
Phosphorous acid
H3PO3
Pyrophosphoric acid
H4P2O7
Selenic acid Selenious acid
H2SeO4 H2SeO3
Silicic acid
H4SiO4
Sodium ion Strontium(II) ion Sulfamic acid Sulfuric acid Sulfurous acid
Na+ Sr+2 NH2SO3H H2SO4 H2SO3
Telluric acid
H2TeO4
Tellurous acid
H2TeO3
Tetrafluoroboric acid Thiocyanic acid Water
HBF4 HSCN H2O
8-41 Step 2 3 1 2 1 2 3 4 2 1 2 1 2 3 4
2 1 2 1 2 1 2
t/°C 25 25 20 20 25 25 25 25 25 25 25 30 30 30 30 25 25 25 25 25 25 18 18 25 25 25 25 25
pKa 7.21 12.32 1.3 6.70 0.91 2.10 6.70 9.32 1.7 2.62 8.32 9.9 11.8 12 12 14.8 13.2 1.05 1.99 1.85 7.2 7.68 11.0 6.27 8.43 0.5 –1.8 13.995
4/30/05 8:46:45 AM
DISSOCIATION CONSTANTS OF ORGANIC ACIDS AND BASES This table lists the dissociation (ionization) constants of over 1070 organic acids, bases, and amphoteric compounds. All data apply to dilute aqueous solutions and are presented as values of pKa, which is defined as the negative of the logarithm of the equilibrium constant Ka for the reaction HA H+ + Ai.e., Ka = [H+][A-]/[HA] where [H+], etc. represent the concentrations of the respective species in mol/L. It follows that pKa = pH + log[HA] – log[A-], so that a solution with 50% dissociation has pH equal to the pKa of the acid. Data for bases are presented as pKa values for the conjugate acid, i.e., for the reaction BH+ H+ + B In older literature, an ionization constant Kb was used for the reaction B + H2O BH+ + OH- . This is related to Ka by Mol. form. CHNO CH2N2 CH2O CH2O2 CH3NO2 CH3NS2 CH4N2O CH4N2S CH4O CH4S CH5N CH5NO CH5N3 C2HCl3O C2HCl3O2 C2HF3O2 C2H2Cl2O2 C2H2O3 C2H2O4
Name Cyanic acid Cyanamide Formaldehyde Formic acid Nitromethane Carbamodithioic acid Urea Thiourea Methanol Methanethiol Methylamine O-Methylhydroxylamine Guanidine Trichloroacetaldehyde Trichloroacetic acid Trifluoroacetic acid Dichloroacetic acid Glyoxylic acid Oxalic acid
C2H3BrO2 C2H3ClO2 C2H3Cl3O C2H3FO2 C2H3F3O C2H3IO2 C2H3NO4 C2H3N3 C2H3N3 C2H4N2 C2H4O C2H4OS C2H4O2 C2H4O2S C2H4O3 C2H5N
Bromoacetic acid Chloroacetic acid 2,2,2-Trichloroethanol Fluoroacetic acid 2,2,2-Trifluoroethanol Iodoacetic acid Nitroacetic acid 1H-1,2,3-Triazole 1H-1,2,4-Triazole Aminoacetonitrile Acetaldehyde Thioacetic acid Acetic acid Thioglycolic acid Glycolic acid Ethyleneimine
Step
1 2
t/°C 25 29 25 25 25 25 25 25 25 25 25 25 25 20 25 25 25 25 25 25 25 25 25 25 25 24 20 20 25 25 25 25 25 25 25
pKa 3.7 1.1 13.27 3.75 10.21 2.95 0.10 -1 15.5 10.33 10.66 12.5 13.6 10.04 0.66 0.52 1.35 3.18 1.25 3.81 2.90 2.87 12.24 2.59 12.37 3.18 1.48 1.17 2.27 5.34 13.57 3.33 4.756 3.68 3.83 8.04
pKa + pKb = pKwater = 14.00 (at 25°C) Compounds are listed by molecular formula in Hill order.
References 1. Perrin, D. D., Dissociation Constants of Organic Bases in Aqueous Solution, Butterworths, London, 1965; Supplement, 1972. 2. Serjeant, E. P., and Dempsey, B., Ionization Constants of Organic Acids in Aqueous Solution, Pergamon, Oxford, 1979. 3. Albert, A., “Ionization Constants of Heterocyclic Substances”, in Katritzky, A. R., Ed., Physical Methods in Heterocyclic Chemistry, Academic Press, New York, 1963. 4. Sober, H.A., Ed., CRC Handbook of Biochemistry, CRC Press, Boca Raton, FL, 1968. 5. Perrin, D. D., Dempsey, B., and Serjeant, E. P., pKa Prediction for Organic Acids and Bases, Chapman and Hall, London, 1981. 6. Albert, A., and Serjeant, E. P., The Determination of Ionization Constants, Third Edition, Chapman and Hall, London, 1984. 7. Budavari, S., Ed., The Merck Index, Twelth Edition, Merck & Co., Whitehouse Station, NJ, 1996.
Mol. form. C2H5NO C2H5NO2 C2H5NO2 C2H5NO2
Name Acetamide Acetohydroxamic acid Nitroethane Glycine
C2H6N2 C2H6O C2H6OS C2H6O2 C2H7AsO2
Ethanimidamide Ethanol 2-Mercaptoethanol Ethyleneglycol Dimethylarsinic acid
C2H7N C2H7N C2H7NO C2H7NO3S
Ethylamine Dimethylamine Ethanolamine
C2H7NS
2-Aminoethanesulfonic acid Cysteamine
C2H7N5
Biguanide
C2H8N2
1,2-Ethanediamine
C2H8O7P2
1-Hydroxy-1,1diphosphonoethane
C3H2O2 C3H3NO C3H3NO C3H3NO2 C3H3NS C3H3N3O3
2-Propynoic acid Oxazole Isoxazole Cyanoacetic acid Thiazole Cyanuric acid
C3H4N2 C3H4N2
1H-Pyrazole Imidazole
Step
1 2
1 2
1 2 1 2 1 2 1 2 1 2 3 4
1 2 3
t/°C 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25
25 25
25 33 25 25 25
25 25
pKa 15.1 8.70 8.46 2.35 9.78 12.1 15.5 9.72 15.1 1.57 6.27 10.65 10.73 9.50 1.5 9.06 8.27 10.53 11.52 2.93 9.92 6.86 1.35 2.87 7.03 11.3 1.84 0.8 -2.0 2.47 2.52 6.88 11.40 13.5 2.49 6.99
8-42
Section 8.indb 42
4/30/05 8:46:46 AM
Dissociation Constants of Organic Acids and Bases Mol. form. C3H4N2S C3H4O C3H4O2 C3H4O3 C3H4O4
Name 2-Thiazolamine Propargyl alcohol Acrylic acid Pyruvic acid Malonic acid
C3H4O5
Hydroxypropanedioic acid 3-Bromopropanoic acid 2-Chloropropanoic acid 3-Chloropropanoic acid 3-Aminopropanenitrile
C3H5BrO2 C3H5ClO2 C3H5ClO2 C3H6N2 C3H6N6 C3H6O C3H6O2 C3H6O2S C3H6O3 C3H6O3 C3H6O4 C3H7N C3H7N C3H7NO C3H7NO2
1,3,5-Triazine-2,4,6triamine Allyl alcohol Propanoic acid (Methylthio)acetic acid Lactic acid 3-Hydroxypropanoic acid Glyceric acid Allylamine Azetidine 2-Propanone oxime L-Alanine
C3H7NO2
β-Alanine
C3H7NO2
Sarcosine
C3H7NO2S
L-Cysteine
C3H7NO3
L-Serine
C3H7NO5S
DL-Cysteic acid
C3H7N3O2 C3H8O2
Glycocyamine
C3H8O3 C3H9N C3H9N C3H9N C3H9NO C3H9NO C3H10N2
Ethylene glycol monomethyl ether Glycerol Propylamine Isopropylamine Trimethylamine 2-Methoxyethylamine Trimethylamine oxide 1,2-Propanediamine, (±)
C3H10N2
1,3-Propanediamine
C3H10N2O
1,3-Diamino-2-propanol
C3H11N3
1,2,3-Triaminopropane
C4H4FN3O C4H4N2 C4H4N2 C4H4N2 C4H4N2O2 C4H4N2O3 C4H4N2O5
Flucytosine Pyrazine Pyrimidine Pyridazine Uracil Barbituric acid Alloxanic acid
Section 8.indb 43
Step
1 2 1 2
1 2 1 2 1 2 1 2 3 1 2 1 2 3
1 2 1 2 1 2 1 2
t/°C 20 25 25 25 25 25
25 25 25 20 25
pKa 5.36 13.6 4.25 2.39 2.85 5.70 2.42 4.54 4.00 2.83 3.98 7.80 5.00
25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25
15.5 4.87 3.66 3.86 4.51 3.52 9.49 11.29 12.42 2.34 9.87 3.55 10.24 2.21 10.1 1.5 8.7 10.2 2.19 9.21 1.3 1.9 8.70 2.82 14.8
25 25 25 25 25 20 25 25 25 25 20 20 20 20
14.15 10.54 10.63 9.80 9.40 4.65 9.82 6.61 10.55 8.88 9.69 7.93 9.59 7.95 3.26 0.65 1.23 2.24 9.45 4.01 6.64
20 20 20 25 25 25
8-43 Mol. form. C4H4N4O2 C4H4O2 C4H4O4
Name 5-Nitropyrimidinamine 2-Butynoic acid Maleic acid
C4H4O4
Fumaric acid
C4H4O5
Oxaloacetic acid
C4H5N C4H5NO2 C4H5N3 C4H5N3 C4H5N3O
Pyrrole Succinimide 2-Pyrimidinamine 4-Pyrimidinamine Cytosine
C4H5N3O2 C4H6N2 C4H6N4O3 C4H6N4O3S2 C4H6O2 C4H6O2 C4H6O2 C4H6O3 C4H6O3 C4H6O4
6-Methyl-1,2,4-triazine3,5(2H,4H)-dione 1-Methylimidazol Allantoin Acetazolamide trans-Crotonic acid 3-Butenoic acid Cyclopropanecarboxylic acid 2-Oxobutanoic acid Acetoacetic acid Succinic acid
C4H6O4
Methylmalonic acid
C4H6O5
Malic acid
C4H6O6
DL-Tartaric acid
C4H6O6
meso-Tartaric acid
C4H6O6
L-Tartaric acid
C4H6O8 C4H7ClO2 C4H7ClO2 C4H7ClO2 C4H7NO2 C4H7NO3 C4H7NO4
Dihydroxytartaric acid 2-Chlorobutanoic acid 3-Chlorobutanoic acid 4-Chlorobutanoic acid 4-Cyanobutanoic acid N-Acetylglycine Iminodiacetic acid
C4H7NO4
L-Aspartic acid
C4H7N3O
Creatinine
C4H7N5 C4H8N2O3
2,4,6-Pyrimidinetriamine L-Asparagine
C4H8N2O3
N-Glycylglycine
C4H8O2 C4H8O2 C4H8O3 C4H8O3 C4H8O3 C4H9N
Butanoic acid 2-Methylpropanoic acid 3-Hydroxybutanoic acid, (±) 4-Hydroxybutanoic acid Ethoxyacetic acid Pyrrolidine
Step
1 2 1 2 1 2 3
1 2
1 2 1 2 1 2 1 2 1 2 1 2
1 2 1 2 3 1 2 1 2 1 2
t/°C 20 25 25 25 25 25 25 25 25 25 25 20 20
pKa 0.35 2.62 1.92 6.23 3.02 4.38 2.55 4.37 13.03 -3.8 9.62 3.45 5.71 4.60 12.16 7.6
25 25
6.95 8.96 7.2 4.69 4.34 4.83 2.50 3.6 4.21 5.64 3.07 5.76 3.40 5.11 3.03 4.37 3.17 4.91 2.98 4.34 1.92 2.86 4.05 4.52 2.42 3.67 2.98 9.89 1.99 3.90 9.90 4.8 9.2 6.84 2.1 8.80 3.14 8.17 4.83 4.84 4.70 4.72 3.65 11.31
25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25
25 25
25 25 25 25 20 20 20 25 25 20 25 25 18 25
4/30/05 8:46:48 AM
Dissociation Constants of Organic Acids and Bases
8-44 Mol. form. C4H9NO C4H9NO2
Name Morpholine 2-Methylalanine
C4H9NO2 C4H9NO2
N,N-Dimethylglycine DL-2-Aminobutanoic acid
C4H9NO2
4-Aminobutanoic acid
C4H9NO2S
DL-Homocysteine
C4H9NO3
L-Threonine
C4H9NO3
L-Homoserine
C4H9N3O2
Creatine
C4H10N2
Piperazine
C4H10N2O2
2,4-Diaminobutanoic acid
C4H10O4 C4H11N C4H11N C4H11N C4H11N C4H11NO3
1,2,3,4-Butanetetrol Butylamine sec-Butylamine tert-Butylamine Diethylamine
C4H12N2
Tris(hydroxymethyl) methylamine 1,4-Butanediamine
C5H4BrN C5H4ClN C5H4ClN C5H4ClN C5H4FN C5H4N2O2 C5H4N4
3-Bromopyridine 2-Chloropyridine 3-Chloropyridine 4-Chloropyridine 2-Fluoropyridine 4-Nitropyridine 1H-Purine
C5H4N4O C5H4N4O C5H4N4O3 C5H4N4S
Hypoxanthine Allopurinol Uric acid
C5H4O2S C5H4O2S C5H4O3 C5H4O3 C5H5N C5H5NO
1,7-Dihydro-6Hpurine-6-thione 2-Thiophenecarboxylic acid 3-Thiophenecarboxylic acid 2-Furancarboxylic acid 3-Furancarboxylic acid Pyridine 2-Pyridinol
C5H5NO
3-Pyridinol
C5H5NO
4-Pyridinol
C5H5NO
2(1H)-Pyridinone
C5H5NO C5H5NO2
Pyridine-1-oxide
Section 8.indb 44
1H-Pyrrole-2-carboxylic acid
Step 1 2 1 2 1 2 1 2 3 1 2 1 2 1 2 1 2 1 2 3
t/°C 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 20
1 2
1 2
1 2
1 2 1 2 1 2 1 2
25 25 25 25 25 25 25 25 20 20 25 12
25 25 25 25 25 20 20 20 20 20 20 20 20 24 20
pKa 8.50 2.36 10.21 9.89 2.29 9.83 4.031 10.556 2.22 8.87 10.86 2.09 9.10 2.71 9.62 2.63 14.3 9.73 5.33 1.85 8.24 10.44 13.9 10.60 10.56 10.68 10.84 8.3 10.80 9.63 2.84 0.49 2.81 3.83 -0.44 1.61 2.30 8.96 8.7 10.2 3.89 7.77 11.17 3.49 4.1 3.16 3.9 5.23 0.75 11.65 4.79 8.75 3.20 11.12 0.75 11.65 0.79 4.45
Mol. form. C5H5NO2 C5H5N3O C5H5N5
Name
1H-Pyrrole-3-carboxylic acid Pyrazinecarboxamide Adenine
C5H5N5O C5H6N2 C5H6N2 C5H6N2 C5H6N2 C5H6N2O2 C5H6O4
Guanine 2-Pyridinamine 3-Pyridinamine 4-Pyridinamine 2-Methylpyrazine Thymine
C5H6O4
trans-1-Propene-1,2dicarboxylic acid
C5H6O4 C5H6O5 C5H7NO3
1,1-Cyclopropanedicarboxylic acid
1-Propene-2,3dicarboxylic acid 2-Oxoglutaric acid
C5H7NO3 C5H7N3 C5H7N3 C5H7N3O4 C5H8N2 C5H8N4O3S2 C5H8O2 C5H8O4 C5H8O4
5,5-Dimethyl-2,4oxazolidinedione L-Pyroglutamic acid 2,5-Pyridinediamine Methylaminopyrazine Azaserine 2,4-Dimethylimidazole Methazolamide trans-3-Pentenoic acid Dimethylmalonic acid Glutaric acid
C5H8O4
Methylsuccinic acid
C5H9NO2
L-Proline
C5H9NO3 C5H9NO3
5-Amino-4-oxopentanoic acid trans-4-Hydroxyproline
C5H9NO4
L-Glutamic acid
C5H9N3
Histamine
C5H10N2O3 C5H10N2O3
Glycylalanine L-Glutamine
C5H10N2O4
Glycylserine
C5H10O2 C5H10O2 C5H10O2 C5H10O2 C5H10O4 C5H10O5 C5H10O5 C5H11N C5H11N C5H11NO C5H11NO2
Pentanoic acid 2-Methylbutanoic acid 3-Methylbutanoic acid 2,2-Dimethylpropanoic acid D-2-Deoxyribose L-Ribose D-Xylose Piperidine N-Methylpyrrolidine 4-Methylmorpholine L-Valine
Step
1 2
1 2 1 2 1 2 1 2
t/°C 20
pKa 5.00
40 20 25 25 27 25 25 25 25 25 25 25 25 25 37
0.5 4.3 9.83 9.92 6.82 6.04 9.11 1.45 9.94 1.82 7.43 3.09 4.75 3.85 5.45 2.47 4.68 6.13
25 20 25 25
1 2 1 2 1 2 1 2 1 2 1 2 3 1 2 1 2 1 2
1 2
25 25 18 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 20 25 25 20 25 25 18 25 25 25 25 25
3.32 6.48 3.39 8.55 8.36 7.30 4.51 3.15 4.32 5.42 4.13 5.64 1.95 10.64 4.05 8.90 1.82 9.66 2.13 4.31 9.67 6.04 9.75 3.15 2.17 9.13 2.98 8.38 4.83 4.80 4.77 5.03 12.61 12.22 12.14 11.123 10.46 7.38 2.29 9.74
4/30/05 8:46:49 AM
Dissociation Constants of Organic Acids and Bases Mol. form. C5H11NO2
Name DL-Norvaline
C5H11NO2
L-Norvaline
C5H11NO2
N-Propylglycine
C5H11NO2
5-Aminopentanoic acid
C5H11NO2 C5H11NO2S
Betaine L-Methionine
C5H12N2O C5H12N2O2
Tetramethylurea L-Ornithine
C5H13N C5H13N C5H13N C5H13N C5H13N C5H13N C5H14NO C5H14N2
Pentylamine 3-Pentanamine 3-Methyl-1-butanamine 2-Methyl-2-butanamine 2,2-Dimethylpropylamine Diethylmethylamine Choline 1,5-Pentanediamine
C6H3Cl3N2O2 C6H3N3O7 C6H4Cl2O C6H4N2O5 C6H4N2O5 C6H4N4 C6H5BrO C6H5BrO C6H5BrO C6H5Br2N C6H5ClO C6H5ClO C6H5ClO C6H5Cl2N C6H5FO C6H5FO C6H5FO C6H5IO C6H5IO C6H5IO C6H5NO C6H5NO C6H5NO2 C6H5NO2
4-Amino-3,5,6-trichloro2-pyridinecarboxlic acid 2,4,6-Trinitrophenol 2,3-Dichlorophenol 2,4-Dinitrophenol 2,5-Dinitrophenol Pteridine 2-Bromophenol 3-Bromophenol 4-Bromophenol 3,5-Dibromoaniline 2-Chlorophenol 3-Chlorophenol 4-Chlorophenol 2,4-Dichloroaniline 2-Fluorophenol 3-Fluorophenol 4-Fluorophenol 2-Iodophenol 3-Iodophenol 4-Iodophenol 2-Pyridinecarboxaldehyde 4-Pyridinecarboxaldehyde Nitrobenzene 2-Pyridinecarboxylic acid
C6H5NO2
3-Pyridinecarboxylic acid
C6H5NO2
4-Pyridinecarboxylic acid
C6H5NO3 C6H5NO3 C6H5NO3 C6H5N3 C6H5N5O
2-Nitrophenol 3-Nitrophenol 4-Nitrophenol 1H-Benzotriazole
C6H5N5O2
Section 8.indb 45
2-Amino-4hydroxypteridine Xanthopterin
Step 1 2 1 2 1 2 1 2 1 2 1 2 3
1 2
1 2 1 2 1 2
1 2 2
t/°C
25 25 25 25 25 25 0 25 25 25 25 25 25 17 25 19 25 25 25 25 25
24 25 25 15 20 25 25 25 25 25 25 25 22 25 25 25 25 25 25 25 30 0 20 20 25 25 25 25 25 25 25 20 20 20 20
pKa 2.36 9.72 2.32 9.81 2.35 10.19 4.27 10.77 1.83 2.13 9.27 2 1.71 8.69 10.76 10.63 10.59 10.60 10.85 10.15 10.35 13.9 10.05 10.93 3.6 0.42 7.44 4.07 5.15 4.05 8.45 9.03 9.37 2.34 8.56 9.12 9.41 2.05 8.73 9.29 9.89 8.51 9.03 9.33 12.68 12.05 3.98 0.99 5.39 2.00 4.82 1.77 4.84 7.23 8.36 7.15 1.6 2.27 7.96 6.59
8-45 Mol. form. C6H6BrN C6H6BrN C6H6BrN C6H6ClN C6H6ClN C6H6ClN C6H6FN C6H6FN C6H6FN C6H6IN C6H6IN C6H6IN C6H6N2O C6H6N2O
Name 2-Bromoaniline 3-Bromoaniline 4-Bromoaniline 2-Chloroaniline 3-Chloroaniline 4-Chloroaniline 2-Fluoroaniline 3-Fluoroaniline 4-Fluoroaniline 2-Iodoaniline 3-Iodoaniline 4-Iodoaniline 3-Pyridinecarboxamide
C6H6N2O2 C6H6N2O2 C6H6N2O2 C6H6O C6H6O2
2-Pyridinecarboxaldehyde oxime 2-Nitroaniline 3-Nitroaniline 4-Nitroaniline Phenol p-Hydroquinone
C6H6O2
Pyrocatechol
C6H6O2
Resorcinol
C6H6O2S C6H6O3S C6H6O4
Benzenesulfinic acid Benzenesulfonic acid
C6H6O4S C6H6O4S C6H6O6 C6H6O6
1 2 1 2 1 2
3-Hydroxybenzenesulfonic acid 4-Hydroxybenzenesulfonic acid cis-1-Propene-1,2,3tricarboxylic acid
C6H6S C6H7BO2 C6H7N C6H7N C6H7N C6H7N C6H7NO C6H7NO
3-Aminophenol
C6H7NO
4-Aminophenol
C6H7NO C6H7NO C6H7NO C6H7NO3S
2-Methoxypyridine 3-Methoxypyridine 4-Methoxypyridine
C6H7NO3S
3-Aminobenzenesulfonic acid
C6H8N2 C6H8N2
1 2
5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one
trans-1-Propene-1,2,3tricarboxylic acid Benzenethiol Benzeneboronic acid Aniline 2-Methylpyridine 3-Methylpyridine 4-Methylpyridine 2-Aminophenol
C6H7NO3S
Step 3
1 2
1 2 1 2 1 2
2-Aminobenzenesulfonic acid
4-Aminobenzenesulfonic acid N-Methylpyridinamine o-Phenylenediamine
1
t/°C 20 25 25 25 25 25 25 25 25 25 25 25 25 20 20 20 25 25 25 25 25 25 25 25 25 25 20 25
pKa 9.31 2.53 3.53 3.89 2.66 3.52 3.98 3.20 3.59 4.65 2.54 3.58 3.81 3.3 3.59 10.18 -0.25 2.46 1.02 9.99 9.85 11.4 9.34 12.6 9.32 11.1 1.3 0.70 7.9
25
9.07
25
9.11
25
1.95
25 25 25 25 25 25 25 20 20 20 20 25 25 20 25 25 25
2.80 4.46 6.62 8.83 4.87 6.00 5.70 5.99 4.78 9.97 4.37 9.82 5.48 10.30 3.28 4.78 6.58 2.46
25
3.74
25
3.23
20 20
9.65 4.57
4/30/05 8:46:51 AM
Dissociation Constants of Organic Acids and Bases
8-46 Mol. form.
Name
C6H8N2
m-Phenylenediamine
C6H8N2
p-Phenylenediamine
C6H8N2 C6H8O2 C6H8O2 C6H8O4
Phenylhydrazine 2,4-Hexadienoic acid 1,3-Cyclohexanedione
C6H8O6
2,2-Dimethyl-1,3dioxane-4,6-dione L-Ascorbic acid
C6H8O7
Citric acid
C6H8O7
Isocitric acid
C6H9NO6
Nitrilotriacetic acid
C6H9NO6
L-γ-Carboxyglutamic acid
C6H9N3
4,6-Dimethylpyrimidinamine L-Histidine
C6H9N3O2 C6H10O2 C6H10O3 C6H10O4 C6H10O4 C6H11NO2
Cyclopentanecarboxylic acid Ethyl acetoacetate 3-Methylglutaric acid Adipic acid
C6H11NO3 C6H11NO4
2-Piperidinecarboxylic acid Adipamic acid 2-Aminoadipic acid
C6H11N3O4
N-(N-Glycylglycyl)glycine
C6H11N3O4
Glycylasparagine
C6H12N2
Triethylenediamine
C6H12N2O4S2
L-Cystine
C6H12O2 C6H12O2 C6H12O6 C6H12O6 C6H12O6 C6H13N C6H13N C6H13N C6H13NO
Hexanoic acid 4-Methylpentanoic acid β-D-Fructose α-D-Glucose D-Mannose Cyclohexylamine 1-Methylpiperidine 1,2-Dimethylpyrrolidine N-Ethylmorpholine
Section 8.indb 46
Step 2 1 2 1 2
t/°C 20 20 20 20 20 15 25 25
pKa 0.80 5.11 2.50 6.31 2.97 8.79 4.76 5.26 5.1
1 2 1 2 3 1 2 3 1 2 3 1 2 3 4
25 16 25 25 25 25 25 25 20 20 20 25 25 25 25 20
4.04 11.7 3.13 4.76 6.40 3.29 4.71 6.40 3.03 3.07 10.70 1.7 3.2 4.75 9.9 4.82
1 2 3
25 25 25 25
1.80 6.04 9.33 4.99
25 25 18 18 25 25 25 25 25 25 25 25 25 18
10.68 4.24 4.41 5.41 2.28 10.72 4.63 2.14 4.21 9.77 3.225 8.09 2.942 8.44 3.0 8.7 1 2.1 8.02 8.71 4.85 4.84 12.27 12.46 12.08 10.64 10.38 10.20 7.67
1 2 1 2 1 2 3 1 2 1 2 1 2 1 2 3 4
25 18 25 25 25 25 25 26 25
Mol. form. C6H13NO2
L-Leucine
C6H13NO2
L-Isoleucine
C6H13NO2
L-Norleucine
C6H13NO2
6-Aminohexanoic acid
C6H13NO4
N,N-Bis(2-hydroxyethyl)glycine Citrulline
C6H13N3O3 C6H14N2 C6H14N2 C6H14N2
Name
cis-1,2-Cyclohexanediamine trans-1,2-Cyclohexanediamine
C6H14N2O2
cis-2,5-Dimethylpiperazine L-Lysine
C6H14N4O2
L-Arginine
C6H14O6 C6H15N C6H15N C6H15N C6H15NO3 C6H16N2
D-Mannitol Hexylamine Diisopropylamine Triethylamine Triethanolamine 1,6-Hexanediamine
C6H16N2
N,N,N’,N’-Tetramethyl1,2-ethanediamine Hexamethyldisilazane Pentafluorobenzoic acid
C6H19NSi2 C7HF5O2 C7H3Br2NO C7H3N3O8 C7H4Cl3NO3 C7H4N2O6 C7H5BrO2 C7H5BrO2 C7H5BrO2 C7H5ClO2 C7H5ClO2 C7H5ClO2 C7H5FO2 C7H5FO2 C7H5FO2 C7H5F3O C7H5F3O C7H5IO2 C7H5IO2 C7H5IO2 C7H5NO C7H5NO C7H5NO C7H5NO3S C7H5NO4 C7H5NO4 C7H5NO4
3,5-Dibromo-4hydroxybenzonitrile 2,4,6-Trinitrobenzoic acid Triclopyr 2,4-Dinitrobenzoic acid 2-Bromobenzoic acid 3-Bromobenzoic acid 4-Bromobenzoic acid 2-Chlorobenzoic acid 3-Chlorobenzoic acid 4-Chlorobenzoic acid 2-Fluorobenzoic acid 3-Fluorobenzoic acid 4-Fluorobenzoic acid 2-(Trifluoromethyl)phenol 3-(Trifluoromethyl)phenol 2-Iodobenzoic acid 3-Iodobenzoic acid 4-Iodobenzoic acid 2-Hydroxybenzonitrile 3-Hydroxybenzonitrile 4-Hydroxybenzonitrile Saccharin 2-Nitrobenzoic acid 3-Nitrobenzoic acid 4-Nitrobenzoic acid
Step 1 2 1 2 1 2 1 2 2
t/°C 25 25 25 25 25 25 25 25 20
pKa 2.33 9.74 2.32 9.76 2.34 9.83 4.37 10.80 8.35
1 2 1 2 1 2 1 2 1 2 3 1 2 3
25 25 20 20 20 20 25 25 25 25 25 25 25 25 18 25 25 25 25 0 0 25 25
2.43 9.69 9.93 6.13 9.94 6.47 9.66 5.20 2.16 9.06 10.54 1.82 8.99 12.5 13.5 10.56 11.05 10.75 7.76 11.86 10.76 10.40 8.26 7.55 1.75 4.06
1 2 1 2
25
25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 18 25 25 25
0.65 2.68 1.43 2.85 3.81 3.96 2.90 3.84 4.00 3.27 3.86 4.15 8.95 8.68 2.86 3.87 4.00 6.86 8.61 7.97 11.68 2.17 3.46 3.43
4/30/05 8:46:53 AM
Dissociation Constants of Organic Acids and Bases Mol. form. C7H5NO4 C7H5NO4 C7H5NO4 C7H5NO4
Name
2,3-Pyridinedicarboxylic acid 2,4-Pyridinedicarboxylic acid 2,6-Pyridinedicarboxylic acid 3,5-Pyridinedicarboxylic acid Chlorothiazide
C7H6ClN3O4S2 C7H6F3N C7H6F3N C7H6N2 C7H6N2 C7H6N2 C7H6N2 C7H6O C7H6O2 C7H6O2 C7H6O2 C7H6O2 C7H6O3
3-(Trifluoromethyl)aniline 4-(Trifluoromethyl)aniline 1H-Benzimidazole 2-Aminobenzonitrile 3-Aminobenzonitrile 4-Aminobenzonitrile Benzaldehyde Benzoic acid Salicylaldehyde 3-Hydroxybenzaldehyde 4-Hydroxybenzaldehyde 2-Hydroxybenzoic acid
C7H6O3
3-Hydroxybenzoic acid
C7H6O3
4-Hydroxybenzoic acid
C7H6O4
2,4-Dihydroxybenzoic acid
C7H6O4 C7H6O4
2,5-Dihydroxybenzoic acid 3,4-Dihydroxybenzoic acid
C7H6O4 C7H6O5
3,5-Dihydroxybenzoic acid
C7H6O5 C7H7NO C7H7NO2
3,4,5-Trihydroxybenzoic acid Benzamide Aniline-2-carboxylic acid
C7H7NO2
Aniline-3-carboxylic acid
C7H7NO2
Aniline-4-carboxylic acid
C7H7NO3 C7H8ClN3O4S2
4-Amino-2-hydroxybenzoic acid Hydrochlorothiazide
C7H8N4O2 C7H8N4O2 C7H8O C7H8O C7H8O C7H8OS C7H8O2 C7H8O2 C7H8O2 C7H8S C7H9N
Theobromine Theophylline o-Cresol m-Cresol p-Cresol 4-(Methylthio)phenol 2-Methoxyphenol 3-Methoxyphenol 4-Methoxyphenol Benzenemethanethiol Benzylamine
Section 8.indb 47
Step 1 2 1
t/°C 25 25 25
pKa 2.43 4.78 2.15
1 2 1
25 25 25
2.16 4.76 2.80
25 25 25 25 25 25 25 25 25 25 25 20 20 25 19 25 25 25 25 25 25 25 25 25 25 25
6.85 9.45 3.49 2.45 5.53 0.77 2.75 1.74 14.90 4.204 8.37 8.98 7.61 2.98 13.6 4.08 9.92 4.57 9.46 3.11 8.55 14.0 2.97 4.48 8.83 12.6 4.04 1.68
25
4.41
25 25 25 25 25 25 25
˜13 2.17 4.85 3.07 4.79 2.50 4.87 3.25
1 2
1 2 1 2 1 2 1 2 3 1 1 2 3 1
2,4,6-Trihydroxybenzoic acid
1 2 1 2 1 2
1 2 1
18 25 25 25 25 25 25 25 25 25 25
7.9 9.2 7.89 8.77 10.29 10.09 10.26 9.53 9.98 9.65 10.21 9.43 9.34
8-47 Mol. form. C7H9N C7H9N C7H9N C7H9N C7H9N C7H9N C7H9N C7H9N C7H9N C7H9N C7H9N C7H9NO C7H9NO C7H9NO C7H9NS C7H9NS C7H9N5
Name 2-Methylaniline 3-Methylaniline 4-Methylaniline N-Methylaniline 2-Ethylpyridine 2,3-Dimethylpyridine 2,4-Dimethylpyridine 2,5-Dimethylpyridine 2,6-Dimethylpyridine 3,4-Dimethylpyridine 3,5-Dimethylpyridine 2-Methoxyaniline 3-Methoxyaniline 4-Methoxyaniline 2-(Methylthio)aniline 4-(Methylthio)aniline 2-Dimethylaminopurine
C7H11N3O2
L-1-Methylhistidine
C7H11N3O2
L-3-Methylhistidine
C7H12O2 C7H12O4
Cyclohexanecarboxylic acid Heptanedioic acid
C7H12O4 C7H13NO4
Butylpropanedioic acid α-Ethylglutamic acid
C7H14O2 C7H14O6 C7H15N C7H15N C7H15NO3 C7H17N C7H17N C8H5NO2 C8H5NO2 C8H6N2 C8H6N2 C8H6N2 C8H6N2 C8H6N4O5 C8H6O3 C8H6O3 C8H6O4
Heptanoic acid α-Methylglucoside 1-Ethylpiperidine 1,2-Dimethylpiperidine,(±) Carnitine Heptylamine 2-Heptanamine 3-Cyanobenzoic acid 4-Cyanobenzoic acid Cinnoline Quinazoline Quinoxaline Phthalazine Nitrofurantoin 3-Formylbenzoic acid 4-Formylbenzoic acid Phthalic acid
C8H6O4
Isophthalic acid
C8H6O4
Terephthalic acid
C8H7ClO2 C8H7ClO2 C8H7ClO2 C8H7ClO3 C8H7ClO3 C8H7NO4 C8H7NO4 C8H7NO4 C8H8F3N3O4S2
2-Chlorobenzeneacetic acid 3-Chlorobenzeneacetic acid 4-Chlorobenzeneacetic acid 2-Chlorophenoxyacetic acid 3-Chlorophenoxyacetic acid 2-Nitrobenzeneacetic acid 3-Nitrobenzeneacetic acid 4-Nitrobenzeneacetic acid Hydroflumethiazide
Step
1 2 1 2 3 1 2 3 1 2 1 1 2
1 2 1 2 1 2
1
t/°C 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 20 20 25 25 25 25 25 25 25 25 25 5 25 25 25 25 23 25 25 25 19 25 25 20 29 20 20 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25
pKa 4.45 4.71 5.08 4.85 5.89 6.57 6.99 6.40 6.65 6.46 6.15 4.53 4.20 5.36 3.45 4.35 4.00 10.24 1.69 6.48 8.85 1.92 6.56 8.73 4.91 4.71 5.58 2.96 3.846 7.838 4.89 13.71 10.45 10.22 3.80 10.67 10.7 3.60 3.55 2.37 3.43 0.56 3.47 7.2 3.84 3.77 2.943 5.432 3.70 4.60 3.54 4.34 4.07 4.14 4.19 3.05 3.10 4.00 3.97 3.85 8.9
4/30/05 8:46:54 AM
Dissociation Constants of Organic Acids and Bases
8-48 Mol. form. C8H8N2 C8H8O2 C8H8O2 C8H8O2 C8H8O2 C8H8O2 C8H8O2 C8H8O2 C8H8O3 C8H8O3 C8H8O3 C8H8O3 C8H8O3 C8H8O4 C8H9NO C8H9NO2 C8H9NO2 C8H9NO2 C8H9NO2 C8H10BrN C8H10ClN C8H10ClN C8H10N2O2
Name 2-Methyl-1H-benzimidazole o-Toluic acid m-Toluic acid p-Toluic acid Benzeneacetic acid 1-(2-Hydroxyphenyl)ethanone 1-(3-Hydroxyphenyl)ethanone 1-(4-Hydroxyphenyl)ethanone 2-Methoxybenzoic acid 3-Methoxybenzoic acid 4-Methoxybenzoic acid Phenoxyacetic acid Mandelic acid
25 25
0.5 5.34
C9H6BrN C9H7ClO2
3-Bromoquinoline
25
5.10
C9H7ClO2
25
5.04
C9H7ClO2
trans-m-Chlorocinnamic acid
25 25
1.83 4.39 4.23
C9H7N C9H7N C9H7NO
trans-p-Chlorocinnamic acid Quinoline Isoquinoline 2-Quinolinol
20
3.83
C9H7NO
3-Quinolinol
20
4.39
C9H7NO
4-Quinolinol
25
2.62
C9H7NO
6-Quinolinol 8-Quinolinol
C9H7NO
7-Isoquinolinol
1 2 1 2
25 25 25 25
C9H7NO3 C9H7NO3 C9H7NO3 C9H7N7O2S C9H8N2 C9H8N2 C9H8N2 C9H8N2 C9H8N2 C9H8O2 C9H8O2 C9H8O2
2-Cyanophenoxyacetic acid 3-Cyanophenoxyacetic acid 4-Cyanophenoxyacetic acid Azathioprine 2-Quinolinamine 3-Quinolinamine 4-Quinolinamine 1-Isoquinolinamine 3-Isoquinolinamine cis-Cinnamic acid trans-Cinnamic acid
25 25
5.12 5.07 3.89 9.83 7.43 4.43 4.18 5.20 9.74 10.52 5.5 8.9 10.6 8.64 9.70 6.70 10.76 2.13 7.43 5.15
C9H7NO
1 2
25 25 25 25 25 28 25 28 25 25
25 15 15 25 25
6.84 5.4 4.52 3.80 3.80 3.18 3.25
2-(Methylamino)benzoic acid 3-(Methylamino)benzoic acid 4-(Methylamino)benzoic acid N-Phenylglycine 4-Bromo-N,Ndimethylaniline
1 2
3-Chloro-N,Ndimethylaniline 4-Chloro-N,Ndimethylaniline
C8H11N C8H11N C8H11N C8H11N C8H11N C8H11NO C8H11NO C8H11NO C8H11NO C8H11NO C8H11NO2
2-(2-Methoxyethyl)pyridine Dopamine
C8H11NO3
Norepinephrine
C8H11N3O6 C8H11N5
6-Azauridine Phenylbiguanide
C8H12N2O3 C8H12O2
Barbital
Section 8.indb 48
25 25 25 25 25 25 25 25 25 25 25 25 25 25
pKa 9.7 6.19 3.91 4.25 4.37 4.31 10.06 9.19 8.05 4.08 4.10 4.50 3.17 3.37 4.40
2,5-Hydroxybenzeneacetic acid Acetanilide
N,N-Dimethyl-3nitroaniline N-Ethylaniline N,N-Dimethylaniline 2,6-Dimethylaniline Benzeneethanamine 2,4,6-Trimethylpyridine 2-Ethoxyaniline 3-Ethoxyaniline 4-Ethoxyaniline 4-(2-Aminoethyl)phenol
C8H13NO2 C8H14O2S2 C8H14O4 C8H15NO C8H15NO C8H16N2O3 C8H16N2O3
Step 2 1
5,5-Dimethyl-1,3cyclohexanedione Arecoline Thioctic acid Octanedioic acid Tropine Pseudotropine N-Glycylleucine N-Leucylglycine
1 2
1
1
t/°C
Mol. form.
Name
C8H16N2O4S2
Homocystine
C8H16O2 C8H16O2 C8H17N C8H17N C8H17NO
Octanoic acid 2-Propylpentanoic acid 2-Propylpiperidine,(S) 2,2,4-Trimethylpiperidine
C8H19N C8H19N C8H19N C8H20N2
C9H8O4 C9H9Br2NO3 C9H9ClO2 C9H9ClO2 C9H9ClO2 C9H9I2NO3
trans-6-Propyl-3piperidinol,(3S) Octylamine N-Methyl-2-heptanamine Dibutylamine 1,8-Octanediamine
Step 2 1 2 3 4
30
1 2
trans-o-Chlorocinnamic acid
α-Methylenebenezeneacetic acid 2-(Acetyloxy)benzoic acid 3,5-Dibromo-L-tyrosine
1 2 1 2 1 2 1 2 1 2 1 2
1 2 3
3-(3-Chlorophenyl)propanoic acid
1
pKa 8.2 1.59 2.54 8.52 9.44 4.89 4.6 10.9 11.04 10.3
25 17 21 20 20 25 25
10.65 10.99 11.25 11.00 10.1 2.69 4.23
25
4.29
25
4.41
20 20 20 20 20 20 20 20 20 20 25 25 20 20 25 25 25
4.90 5.40 -0.31 11.76 4.28 8.08 2.23 11.28 5.15 8.90 4.91 9.81 5.68 8.90 2.98 3.03 2.93 8.2 7.34 4.91 9.17 7.62 5.05 3.88 4.44 4.35
20 20 20 20 20 25 25
3-(2-Chlorophenyl)propanoic acid
3-(4-Chlorophenyl)propanoic acid L-3,5-Diiodotyrosine
t/°C 25 25 25 25 25 25
25
25
3.48 2.17 6.45 7.60 4.58
25
4.59
25
4.61
25
2.12
4/30/05 8:46:56 AM
Dissociation Constants of Organic Acids and Bases Mol. form.
Name
C9H9NO3 C9H9NO4
N-Benzoylglycine
C9H9NO4
3-(4-Nitrophenyl)propanoic acid Carbendazim Sulfathiazole L-3-Iodotyrosine
C9H9N3O2 C9H9N3O2S2 C9H10INO3 C9H10N2 C9H10O2 C9H10O2 C9H10O2 C9H10O3
3-(2-Nitrophenyl)propanoic acid
2-Ethylbenzimidazole 3,5-Dimethylbenzoic acid Benzenepropanoic acid α-Methylbenzeneacetic acid α-Hydroxy-α-methylbenezeneacetic acid Methylclothiazide N-Allylaniline 1-Indanamine
C9H11Cl2N3O4S2 C9H11N C9H11N C9H11NO2 4-(Dimethylamino)benzoic acid Ethyl 4-aminobenzoate C9H11NO2 L-Phenylalanine C9H11NO2 C9H11NO3
L-Tyrosine
C9H11NO4
Levodopa
C9H12N2O2 C9H13N C9H13NO3
Tyrosineamide N-Isopropylaniline Epinephrine
C9H13N2O9P
5’-Uridylic acid
C9H13N3O5
Cytidine
C9H14ClNO C9H14N2O3 C9H14N3O8P
Phenylpropanolamine hydrochloride Metharbital 3’-Cytidylic acid
C9H14N4O3
Carnosine
C9H15NO3S
Captopril
C9H15N5O C9H16O4
Minoxidil Nonanedioic acid
C9H18O2 C9H19N C9H19N
Nonanoic acid N-Butylpiperidine
C9H21N C10H7NO2
Section 8.indb 49
Step 2 3
2,2,6,6-Tetramethylpiperidine Nonylamine 8-Quinolinecarboxylic acid
1 2 3
1 2 1 2 1 2 3 1 2 3 4
1 2 1 2 1 2
1 2 3 1 2 3 1 2 1 2
t/°C 25 25 25 25
pKa 5.32 9.48 3.62 4.50
25
4.47
25 25 25 25 25 25 25 25
4.48 7.2 2.2 8.7 9.1 6.18 4.32 4.66 4.64 3.47
25 22
25 25 25 25 25 25 25 25 25 25 25 25 25
9.4 4.17 9.21 6.03 11.49 2.5 2.20 9.31 2.20 9.11 10.1 2.32 8.72 9.96 11.79 7.33 5.77 8.66 9.95 6.4 9.5 4.22 12.5 9.44
25 25 25 23 25
8.45 0.8 4.28 6.0 2.73 6.87 9.73 3.7 9.8 4.61 4.53 5.33 4.96 10.47 11.07
25 25
10.64 1.82
20 20 20
8-49 Mol. form. C10H8O C10H8O C10H9N C10H9N C10H9N C10H9N C10H9N C10H9NO C10H9NO C10H9NO2 C10H10O2 C10H10O2 C10H10O2 C10H12N2 C10H12N2O
Name 1-Naphthol 2-Naphthol 1-Naphthylamine 2-Naphthylamine 2-Methylquinoline 4-Methylquinoline 5-Methylquinoline 5-Amino-1-naphthol 6-Methoxyquinoline 1H-Indole-3-acetic acid o-Methylcinnamic acid m-Methylcinnamic acid p-Methylcinnamic acid Tryptamine 5-Hydroxytryptamine
C10H12N2O5 C10H12N4O3 C10H12O
Dinoseb Dideoxyinosine
C10H12O2 C10H12O5 C10H13N5O4 C10H14N2
L-Nicotine
C10H14N5O7P
5’-Adenylic acid
C10H14O C10H14O C10H14O C10H15N C10H15N C10H15NO C10H15NO C10H17N3O6S
2-tert-Butylphenol 3-tert-Butylphenol 4-tert-Butylphenol N-tert-Butylaniline N,N-Diethylaniline d-Ephedrine l-Ephedrine l-Glutathione
C10H18N4O5
L-Argininosuccinic acid
C10H18O4
Sebacic acid
C10H19N C10H19N C10H21N C10H21N
Bornylamine Neobornylamine Butylcyclohexylamine
C11H8O2 C11H11N C11H12I3NO2 C11H12N2O2
1 2
1 2 1 2 1 2
1 2 3 4 1 2 3 4 1 2
1,2,2,6,6-Pentamethylpiperidine Decylamine 1H-Perimidine 1-Naphthalenecarboxylic acid 2-Naphthalenecarboxylic acid Methyl-1-naphthylamine Iopanoic acid L-Tryptophan
t/°C 25 25 25 25 20 20 20 25 20 25 25 25 25 25 25
25
5,6,7,8-Tetrahydro-2naphthalenol Benzenebutanoic acid Propyl 3,4,5-trihydroxybenzoate Adenosine
C10H23N C11H8N2 C11H8O2
Step
1 2
pKa 9.39 9.63 3.92 4.16 5.83 5.67 5.20 3.97 5.03 4.75 4.50 4.44 4.56 10.2 9.8 11.1 4.62 9.12 10.48
25
4.76 8.11
25 25
25 25 25 30
3.6 12.4 8.02 3.12 3.8 6.2 10.62 10.12 10.23 7.00 6.57 10.139 9.958 2.12 3.59 8.75 9.65 1.62 2.70 4.26 9.58 4.59 5.59 10.17 10.01 11.23 11.25
25 20 25
10.64 6.35 3.69
25
4.16
27
3.67 4.8 2.46 9.41
25 25 25 25 25 10 10 25 25 25 25 25 25 25 25
25 25
4/30/05 8:46:57 AM
Dissociation Constants of Organic Acids and Bases
8-50 Mol. form. C11H12N4O3S C11H13F3N2O3S C11H13NO3 C11H13N3O3S C11H14N2O
Name Sulfamethoxypyridazine Mefluidide Hydrastinine Sulfisoxazole Cytisine
C11H14O2 C11H14O2 C11H14O2 C11H16N2O2
2-tert-Butylbenzoic acid 3-tert-Butylbenzoic acid 4-tert-Butylbenzoic acid Pilocarpine
C11H16N4O4 C11H17N
Pentostatin
C11H17NO3 C11H17N3O8 C11H18ClNO3 C11H18N2O3 C11H25N C11H26NO2PS C12H6Cl4O2S C12H8N2 C12H8N2 C12H10O C12H10O C12H10O C12H11N C12H11N C12H11N C12H11N C12H11N C12H11N3 C12H12N2
1,10-Phenanthroline Phenazine 2-Hydroxybiphenyl 3-Hydroxybiphenyl 4-Hydroxybiphenyl Diphenylamine 2-Aminobiphenyl 3-Aminobiphenyl 4-Aminobiphenyl 2-Benzylpyridine 4-Aminoazobenzene p-Benzidine
C12H12N2O3
Phenobarbital
C12H13N
1 2
Iocetamic acid
C12H14N4O2S C12H14N4O3S C12H17N3O4
Sulfacytine Agaritine
C12H20N2O2 C12H21N5O2S2
Aspergillic acid Nizatidine
C12H22O11 C12H22O11 C12H23N C12H27N C13H9N C13H9N C13H10N2 C13H10N2
Sucrose α-Maltose Dicyclohexylamine Dodecylamine Acridine Phenanthridine 9-Acridinamine 2-Phenylbenzimidazole
t/°C
25 25 25 25 25 25
25 25 25
1 2
1 2 1 2
25 20 25 25 25 25 25 18 18 25 25 20 20
25
N,N-Dimethyl-1naphthylamine N,N-Dimethyl-2naphthylamine Sulfamethazine
Section 8.indb 50
1 2
N,N-Diethyl-2-methylaniline Isoproterenol Tetrodotoxin Methoxamine hydrochloride Amobarbital Undecylamine Methylphosphonothioic acid S[2-[bis(1-isopropyl)amino]ethyl], O-ethylester Bithionol
C12H13I3N2O3 C12H13N
Step
25 1 2 1 2 1 2
1 2
25 21 25 20 20 20 25 25
pKa 6.7 4.6 11.38 5 6.11 13.08 3.54 4.20 4.38 1.6 6.9 5.2 7.24 8.64 8.76 9.2 8.0 10.63 7.9
4.82 10.50 4.84 1.20 10.01 9.64 9.55 0.79 3.83 4.25 4.35 5.13 2.82 4.65 3.43 7.3 11.8 4 4.83 4.566 7.4 2.65 6.9 3.4 8.86 5.5 2.1 6.8 12.7 12.05 10.4 10.63 5.58 5.58 9.99 5.23 11.91
Mol. form. C13H10O2 C13H10O3 C13H10O3 C13H10O3 C13H11N3 C13H12Cl2O4 C13H12N2O C13H12N2O3S C13H13N C13H14N2O13 C13H15N3O3 C13H16ClNO C13H19NO4S C13H21N C13H29N C14H12F3NO4S2 C14H12O2 C14H12O3
Name 2-Phenylbenzoic acid 2-Phenoxybenzoic acid 3-Phenoxybenzoic acid 4-Phenoxybenzoic acid 3,6-Acridinediamine Ethacrynic acid Harmine Sulfabenzamide 4-Benzylaniline Harmaline Imazapyr Ketamine
Step
25 25 1 2
4-[(Dipropylamino)sulfonyl]benzoic acid 2,6-Di-tert-butylpyridine (Tridecyl)amine Perfluidone α-Phenylbenzeneacetic acid
C14H18N4O3 C14H19NO2 C14H21N3O3S C14H22N2O3 C14H31N C15H10ClN3O3
α-Hydroxy-α-phenylbenezeneacetic acid Trimethoprim Methylphenidate Tolazamide Atenolol Tetradecylamine Clonazepam
C15H11I4NO4
L-Thyroxine
C15H14O3 C15H15NO2 C15H15N3O2
Fenoprofen Mefenamic acid Methyl Red
C15H17ClN4 C15H19NO2 C15H19N3O3
NeutralRed Tropacocaine Imazethapyr
C15H21N3O2
Physostigmine
C15H26N2
Sparteine
C15H33N C16H13ClN2O C16H14ClN3O C16H16N2O2
Pentadecylamine Valium Chlorodiazepoxide Lysergic acid
C16H17N3O4S
Cephalexin
C16H19N3O4S
Cephradine
C16H22N2
Lycodine
C16H35N C17H17NO2
Hexadecylamine Apomorphine
C17H19NO3 C17H19NO3
Piperine Morphine
C17H20N4O6
Riboflavin
t/°C 25 25 25 25 20
25 25 25
25
1 2 1 2 3
25
25 25 25
1 2
1 2 1 2 1 2
1 2 1 2 1 2 1 2 1 2 1 2 1
15
20 20 25
25
18 25 20
pKa 3.46 3.53 3.95 4.57 9.65 3.50 7.70 4.57 2.17 4.2 1.9 3.6 7.5 5.8 3.58 10.63 2.5 3.94 3.04 6.6 8.9 3.6 9.6 10.62 1.5 10.5 2.2 6.45 10.1 7.3 4.2 2.5 9.5 6.7 4.32 2.1 3.9 6.12 12.24 2.24 9.46 10.61 3.4 4.8 3.44 7.68 5.2 7.3 2.63 7.27 3.97 8.08 10.61 7.0 8.92 12.22 8.21 9.85 1.7
4/30/05 8:46:59 AM
Dissociation Constants of Organic Acids and Bases Mol. form.
Name
C17H20O6 C17H23NO3 C17H27NO4 C18H19ClN4
Mycophenolic acid Hyoscyamine Nadolol Clozapine
C18H21NO3 C18H21N3O C18H32O2 C18H33ClN2O5S C18H39N C19H10Br4O5S C19H14O5S C19H16ClNO4 C19H17N3O4S2 C19H20N2O2 C19H21N C19H21NO3 C19H22N2O
Codeine Dibenzepin Linoleic acid Clindamycin Octadecylamine Bromophenol Blue Phenol Red Indomethacin Cephaloridine Phenylbutazone Protriptyline Thebaine Cinchonine
C19H22N2O
Cinchonidine
C19H22N2O2 C19H22O6 C19H23N3O2 C19H23N3O2 C20H14O4 C20H21NO4 C20H23N C20H23N7O7
Cupreine Gibberellic acid Ergometrinine Ergonovine Phenolphthalein Papaverine Amitriptyline Folinic acid
C20H24N2O2
Quinine
C20H24N2O2
Quinidine
C20H26N2O2 C21H14Br4O5S C21H16Br2O5S C21H18O5S C21H21NO6 C21H22N2O2
Hydroquinine Bromocresol Green Bromocresol Purple CresolRed Hydrastine Strychnine
Section 8.indb 51
Step 2
t/°C 25 21
1 2
25
1 2 1 2
15
25
1 2 3 1 2 1 2
25 25 20 20
25
pKa 9.69 4.5 9.7 9.67 3.70 7.60 8.21 8.25 7.6 7.6 10.60 4.0 7.9 4.5 3.2 4.5 8.2 6.05 5.85 9.92 5.80 10.03 6.57 4.0 7.3 6.8 9.7 6.4 9.4 3.1 4.8 10.4 8.52 4.13 5.4 10.0 5.33 4.7 6.3 8.3 7.8 8.26
8-51 Mol. form. C21H23ClFNO2 C21H31NO4 C21H35N3O7
Name Haloperidol Furethidine Lisinopril
C22H18O4 C22H22FN3O2 C22H23NO7 C22H25NO6 C22H25N3O
o-Cresolphthalein Droperidol Noscapine Colchicine Benzpiperylon
C22H33NO2 C23H26N2O4
Atisine Brucine
C24H40O4 C24H40O5 C25H29I2NO3 C25H41NO9 C26H43NO6 C26H45NO7S C27H28Br2O5S C27H38N2O4 C29H32O13 C29H40N2O4
Deoxycholic acid Cholic acid Amiodarone Aconine Glycocholic acid Taurocholic acid Bromothymol Blue Verapamil Etoposide Emetine
C30H23BrO4 C30H48O3 C31H36N2O11
Bromadiolone Oleanolic acid Novobiocin
C32H32O13S C33H40N2O9 C34H47NO11 C36H51NO11 C37H67NO13 C43H58N4O12
Teniposide Reserpine Aconitine Veratridine Erythromycin Rifampin
C45H73NO15 C46H56N4O10 C46H58N4O9
Solanine Vincristine Vinblastine
Step
t/°C
1 2 3 4
1 2
20
1 2
25
1 2
21
1 2
1 2
1 2
15
pKa 8.3 7.48 2.5 4.0 6.7 10.1 9.4 7.64 7.8 12.36 6.73 9.13 12.2 6.04 11.07 6.58 6.4 6.56 9.52 4.4 1.4 7.0 8.6 9.8 5.77 6.64 4.04 2.52 4.3 9.1 10.13 6.6 5.88 9.54 8.8 1.7 7.9 6.66 5.4 5.4 7.4
4/30/05 8:47:00 AM
CONCENTRATIVE PROPERTIES OF AQUEOUS SOLUTIONS: DENSITY, REFRACTIVE INDEX, FREEZING POINT DEPRESSION, AND VISCOSITY This table gives properties of aqueous solutions of 66 substances as a function of concentration. All data refer to a temperature of 20°C. The properties are: Mass %: Mass of solute divided by total mass of solution, expressed as percent. m Molality (moles of solute per kg of water). c Molarity (moles of solute per liter of solution). Density of solution in g/cm3. ρ
Acetic acid Acetone Ammonia Ammonium chloride Ammonium sulfate Barium chloride Calcium chloride Cesium chloride Citric acid Copper sulfate Disodium ethylenediamine tetraacetate (EDTA sodium) Ethanol Ethylene glycol Ferric chloride Formic acid D-Fructose D-Glucose Glycerol Hydrochloric acid Lactic acid Lactose
n
Index of refraction, relative to air, at a wavelength of 589 nm (sodium D line); the index of pure water at 20°C is 1.3330. Freezing point depression in °C relative to pure water. ∆ η Absolute (dynamic) viscosity in mPa s (equal to centipoise, cP); the viscosity of pure water at 20°C is 1.002 mPa s. Density data for aqueous solutions over a wider range of temperatures and pressures (and for other compounds) may be found in Reference 2. Solutes are listed in the following order:
Lithium chloride Magnesium chloride Magnesium sulfate Maltose Manganese(II) sulfate D-Mannitol Methanol Nitric acid Oxalic acid Phosphoric acid Potassium bicarbonate Potassium bromide Potassium carbonate Potassium chloride Potassium hydroxide Potassium iodide Potassium nitrate Potassium permanganate Potassium hydrogen phosphate Potassium dihydrogen phosphate Potassium sulfate 1-Propanol
2-Propanol Silver nitrate Sodium acetate Sodium bicarbonate Sodium bromide Sodium carbonate Sodium chloride Sodium citrate Sodium hydroxide Sodium nitrate Sodium phosphate Sodium hydrogen phosphate Sodium dihydrogen phosphate Sodium sulfate Sodium thiosulfate Strontium chloride Sucrose Sulfuric acid Trichloroacetic acid Tris(hydroxymethyl)methylamine Urea Zinc sulfate
References 1. Wolf, A. V., Aqueous Solutions and Body Fluids, Hoeber, 1966. 2. Söhnel, O., and Novotny, P., Densities of Aqueous Solutions of Inorganic Substances, Elsevier, Amsterdam, 1985. Solute Acetic acid CH3COOH
Mass % 0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0
m/mol kg–1 0.084 0.168 0.340 0.515 0.694 0.876 1.063 1.253 1.448 1.647 1.850 2.271 2.711 3.172 3.655 4.163 4.697 5.259
c/mol L–1 0.083 0.166 0.333 0.501 0.669 0.837 1.006 1.175 1.345 1.515 1.685 2.028 2.372 2.718 3.065 3.414 3.764 4.116
ρ/g cm–3 0.9989 0.9996 1.0011 1.0025 1.0038 1.0052 1.0066 1.0080 1.0093 1.0107 1.0121 1.0147 1.0174 1.0200 1.0225 1.0250 1.0275 1.0299
n 1.3334 1.3337 1.3345 1.3352 1.3359 1.3366 1.3373 1.3381 1.3388 1.3395 1.3402 1.3416 1.3430 1.3444 1.3458 1.3472 1.3485 1.3498
∆/°C 0.16 0.32 0.63 0.94 1.26 1.58 1.90 2.23 2.56 2.89 3.23 3.91 4.61 5.33 6.06 6.81 7.57 8.36
η/mPa s 1.012 1.022 1.042 1.063 1.084 1.105 1.125 1.143 1.162 1.186 1.210 1.253 1.298 1.341 1.380 1.431 1.478 1.525
8-52
S08_15.indd 52
5/2/05 10:23:02 AM
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Solute
Mass % 26.0 28.0 30.0 32.0 34.0 36.0 38.0 40.0 50.0 60.0 70.0 80.0 90.0 92.0 94.0 96.0 98.0 100.0
m/mol kg–1 5.851 6.476 7.137 7.837 8.579 9.367 10.207 11.102 16.653 24.979 38.857 66.611 149.875 191.507 260.894 399.667 815.987
c/mol L–1 4.470 4.824 5.180 5.537 5.896 6.255 6.615 6.977 8.794 10.620 12.441 14.228 15.953 16.284 16.602 16.911 17.198 17.447
ρ/g cm–3 1.0323 1.0346 1.0369 1.0391 1.0413 1.0434 1.0454 1.0474 1.0562 1.0629 1.0673 1.0680 1.0644 1.0629 1.0606 1.0578 1.0538 1.0477
n 1.3512 1.3525 1.3537 1.3550 1.3562 1.3574 1.3586 1.3598 1.3653 1.3700 1.3738 1.3767 1.3771 1.3766 1.3759 1.3748 1.3734 1.3716
∆/°C 9.17 10.00 10.84 11.70 12.55 13.38
8-53
η/mPa s 1.572 1.613 1.669 1.715 1.762 1.812 1.852 1.912 2.158 2.409 2.629 2.720 2.386 2.240 2.036 1.813 1.535 1.223
Acetone (CH3)2CO
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0
0.087 0.174 0.351 0.533 0.717 0.906 1.099 1.296 1.497 1.703 1.913
0.086 0.172 0.343 0.513 0.684 0.853 1.023 1.191 1.360 1.528 1.696
0.9975 0.9968 0.9954 0.9940 0.9926 0.9912 0.9899 0.9886 0.9874 0.9861 0.9849
1.3334 1.3337 1.3344 1.3352 1.3359 1.3366 1.3373 1.3381 1.3388 1.3395 1.3402
0.16 0.32 0.65 0.97 1.30 1.63 1.96 2.29 2.62 2.95 3.29
1.013 1.024 1.047 1.072 1.099 1.125 1.150 1.174 1.198 1.221 1.244
Ammonia NH3
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0
0.295 0.593 1.198 1.816 2.447 3.090 3.748 4.420 5.106 5.807 6.524 8.007 9.558 11.184 12.889 14.679 16.561 18.542 20.630 22.834 25.164
0.292 0.584 1.162 1.736 2.304 2.868 3.428 3.983 4.533 5.080 5.622 6.695 7.753 8.794 9.823 10.837 11.838 12.826 13.801 14.764 15.713
0.9960 0.9938 0.9895 0.9853 0.9811 0.9770 0.9730 0.9690 0.9651 0.9613 0.9575 0.9502 0.9431 0.9361 0.9294 0.9228 0.9164 0.9102 0.9040 0.8980 0.8920
1.3332 1.3335 1.3339 1.3344 1.3349 1.3354 1.3359 1.3365 1.3370 1.3376 1.3381 1.3393 1.3404 1.3416 1.3428 1.3440 1.3453 1.3465 1.3477 1.3490 1.3502
0.55 1.14 2.32 3.53 4.78 6.08 7.43 8.95 10.34 11.90 13.55 17.13 21.13 25.63 30.70 36.42 43.36 51.38 60.77 71.66 84.06
1.009 1.015 1.029 1.043 1.057 1.071 1.085 1.099 1.113 1.127 1.141 1.169 1.195 1.218 1.237 1.254 1.268 1.280 1.288
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0
0.094 0.189 0.382 0.578 0.779 0.984 1.193 1.407
0.093 0.187 0.376 0.565 0.756 0.948 1.141 1.335
0.9998 1.0014 1.0045 1.0076 1.0107 1.0138 1.0168 1.0198
1.3340 1.3349 1.3369 1.3388 1.3407 1.3426 1.3445 1.3464
0.32 0.64 1.27 1.91 2.57 3.25 3.94 4.66
0.999 0.996 0.992 0.988 0.985 0.982 0.979 0.976
Ammonium chloride NH4Cl
Section 8.indb 53
4/30/05 8:47:03 AM
8-54 Solute
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Mass % 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0
m/mol kg–1 1.626 1.849 2.077 2.549 3.043 3.561 4.104 4.674 5.273 5.903
c/mol L–1 1.529 1.726 1.923 2.320 2.722 3.128 3.537 3.951 4.368 4.789
ρ/g cm–3 1.0227 1.0257 1.0286 1.0344 1.0401 1.0457 1.0512 1.0567 1.0621 1.0674
n 1.3483 1.3502 1.3521 1.3559 1.3596 1.3634 1.3671 1.3708 1.3745 1.3782
∆/°C 5.40 6.16 6.95 8.60
η/mPa s 0.974 0.972 0.970 0.969 0.969 0.971 0.973 0.978 0.986 0.996
Ammonium sulfate (NH4)2SO4
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0 36.0 38.0 40.0
0.038 0.076 0.154 0.234 0.315 0.398 0.483 0.570 0.658 0.748 0.841 1.032 1.232 1.441 1.661 1.892 2.134 2.390 2.659 2.943 3.243 3.561 3.898 4.257 4.638 5.045
0.038 0.076 0.153 0.231 0.309 0.389 0.469 0.551 0.633 0.716 0.800 0.971 1.145 1.323 1.504 1.688 1.876 2.067 2.262 2.460 2.661 2.866 3.073 3.284 3.499 3.716
1.0012 1.0042 1.0101 1.0160 1.0220 1.0279 1.0338 1.0397 1.0456 1.0515 1.0574 1.0691 1.0808 1.0924 1.1039 1.1154 1.1269 1.1383 1.1496 1.1609 1.1721 1.1833 1.1945 1.2056 1.2166 1.2277
1.3338 1.3346 1.3363 1.3379 1.3395 1.3411 1.3428 1.3444 1.3460 1.3476 1.3492 1.3523 1.3555 1.3586 1.3616 1.3647 1.3677 1.3707 1.3737 1.3766 1.3795 1.3824 1.3853 1.3881 1.3909 1.3938
0.17 0.33 0.63 0.92 1.21 1.49 1.77 2.05 2.33 2.61 2.89 3.47 4.07 4.69
1.008 1.014 1.027 1.041 1.057 1.073 1.090 1.108 1.127 1.147 1.168 1.210 1.256 1.305 1.359 1.421 1.490 1.566 1.650 1.743 1.847 1.961 2.086 2.222 2.371 2.530
Barium chloride BaCl2
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0
0.024 0.049 0.098 0.149 0.200 0.253 0.307 0.361 0.418 0.475 0.534 0.655 0.782 0.915 1.054 1.201 1.355 1.517 1.687
0.024 0.048 0.098 0.148 0.199 0.251 0.303 0.357 0.412 0.468 0.524 0.641 0.763 0.889 1.019 1.156 1.297 1.444 1.597
1.0026 1.0070 1.0159 1.0249 1.0341 1.0434 1.0528 1.0624 1.0721 1.0820 1.0921 1.1128 1.1342 1.1564 1.1793 1.2031 1.2277 1.2531 1.2793
1.3337 1.3345 1.3360 1.3375 1.3391 1.3406 1.3422 1.3438 1.3454 1.3470 1.3487 1.3520 1.3555 1.3591 1.3627 1.3664 1.3703 1.3741 1.3781
0.12 0.23 0.46 0.69 0.93 1.18 1.44 1.70 1.98 2.27 2.58 3.22 3.92 4.69
1.009 1.016 1.026 1.037 1.049 1.062 1.075 1.087 1.101 1.114 1.129 1.161 1.195 1.234 1.277 1.325 1.378 1.437 1.503
Calcium chloride CaCl2
0.5 1.0 2.0
0.045 0.091 0.184
0.045 0.091 0.183
1.0024 1.0065 1.0148
1.3342 1.3354 1.3378
0.22 0.44 0.88
1.015 1.028 1.050
Section 8.indb 54
4/30/05 8:47:04 AM
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Solute
Cesium chloride CsCl
Citric acid (HO)C(COOH)3
Section 8.indb 55
Mass % 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0 36.0 38.0 40.0
m/mol kg–1 0.279 0.375 0.474 0.575 0.678 0.784 0.891 1.001 1.229 1.467 1.716 1.978 2.253 2.541 2.845 3.166 3.504 3.862 4.240 4.642 5.068 5.522 6.007
c/mol L–1 0.277 0.372 0.469 0.567 0.667 0.768 0.872 0.976 1.191 1.413 1.641 1.878 2.122 2.374 2.634 2.902 3.179 3.464 3.759 4.062 4.375 4.698 5.030
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0 36.0 38.0 40.0 42.0 44.0 46.0 48.0 50.0 60.0 64.0
0.030 0.060 0.121 0.184 0.247 0.313 0.379 0.447 0.516 0.587 0.660 0.810 0.967 1.131 1.304 1.485 1.675 1.876 2.087 2.310 2.546 2.795 3.060 3.341 3.640 3.960 4.301 4.667 5.060 5.483 5.940 8.910 10.560
0.5 1.0 2.0
0.026 0.053 0.106
8-55
ρ/g cm–3 1.0232 1.0316 1.0401 1.0486 1.0572 1.0659 1.0747 1.0835 1.1014 1.1198 1.1386 1.1579 1.1775 1.1976 1.2180 1.2388 1.2600 1.2816 1.3036 1.3260 1.3488 1.3720 1.3957
n 1.3402 1.3426 1.3451 1.3475 1.3500 1.3525 1.3549 1.3575 1.3625 1.3677 1.3730 1.3784 1.3839 1.3895 1.3951 1.4008 1.4066 1.4124 1.4183 1.4242 1.4301 1.4361 1.4420
∆/°C 1.33 1.82 2.35 2.93 3.57 4.28 5.04 5.86 7.70 9.83 12.28 15.11 18.30 21.70 25.30 29.70 34.70 41.00 49.70
η/mPa s 1.078 1.110 1.143 1.175 1.208 1.242 1.279 1.319 1.408 1.508 1.625 1.764 1.930 2.127 2.356 2.645 3.000 3.467 4.035 4.820 5.807 7.321 8.997
0.030 0.060 0.120 0.182 0.245 0.308 0.373 0.438 0.505 0.573 0.641 0.782 0.928 1.079 1.235 1.397 1.564 1.737 1.917 2.103 2.296 2.497 2.705 2.921 3.146 3.380 3.624 3.877 4.142 4.418 4.706 6.368 7.163
1.0020 1.0058 1.0135 1.0214 1.0293 1.0374 1.0456 1.0540 1.0625 1.0711 1.0798 1.0978 1.1163 1.1355 1.1552 1.1756 1.1967 1.2185 1.2411 1.2644 1.2885 1.3135 1.3393 1.3661 1.3938 1.4226 1.4525 1.4835 1.5158 1.5495 1.5846 1.7868 1.8842
1.3334 1.3337 1.3345 1.3353 1.3361 1.3369 1.3377 1.3386 1.3394 1.3403 1.3412 1.3430 1.3448 1.3468 1.3487 1.3507 1.3528 1.3550 1.3572 1.3594 1.3617 1.3641 1.3666 1.3691 1.3717 1.3744 1.3771 1.3800 1.3829 1.3860 1.3892 1.4076 1.4167
0.10 0.20 0.40 0.61 0.81 1.02 1.22 1.43 1.64 1.85 2.06 2.51 2.97 3.46 3.96 4.49
1.000 0.997 0.992 0.988 0.984 0.980 0.977 0.974 0.971 0.969 0.966 0.961 0.955 0.950 0.945 0.939 0.934 0.930 0.926 0.924 0.922 0.922 0.924 0.926 0.930 0.934 0.940 0.947 0.956 0.967 0.981 1.120 1.238
0.026 0.052 0.105
1.0002 1.0022 1.0063
1.3336 1.3343 1.3356
0.05 0.11 0.21
1.013 1.024 1.048
4/30/05 8:47:05 AM
8-56
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity
Solute
Copper sulfate CuSO4
Disodium ethylenediamine tetraacetate (EDTA sodium) Na2C10H14N2O8
Ethanol CH3CH2OH
Section 8.indb 56
Mass % 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0
m/mol kg–1 0.161 0.217 0.274 0.332 0.392 0.453 0.515 0.578 0.710 0.847 0.991 1.143 1.301 1.468 1.644 1.829 2.024 2.231
c/mol L–1 0.158 0.211 0.265 0.320 0.374 0.430 0.485 0.541 0.655 0.771 0.889 1.008 1.130 1.254 1.380 1.508 1.639 1.772
ρ/g cm–3 1.0105 1.0147 1.0189 1.0232 1.0274 1.0316 1.0359 1.0402 1.0490 1.0580 1.0672 1.0764 1.0858 1.0953 1.1049 1.1147 1.1246 1.1346
n 1.3368 1.3381 1.3394 1.3407 1.3420 1.3433 1.3446 1.3459 1.3486 1.3514 1.3541 1.3569 1.3598 1.3626 1.3655 1.3684 1.3714 1.3744
∆/°C 0.32 0.43 0.54 0.65 0.76 0.88 1.00 1.12 1.38 1.66 1.95 2.26 2.57 2.88 3.21 3.55 3.89 4.25
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0
0.031 0.063 0.128 0.194 0.261 0.330 0.400 0.472 0.545 0.620 0.696 0.854 1.020 1.193 1.375
0.5 1.0 1.5 2.0 2.5 3.0 3.5 4.0 4.5 5.0 5.5 6.0 0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0
η/mPa s 1.073 1.098 1.125 1.153 1.183 1.214 1.247 1.283 1.357 1.436 1.525 1.625 1.740 1.872 2.017 2.178 2.356 2.549
0.031 0.063 0.128 0.194 0.261 0.329 0.399 0.471 0.543 0.618 0.694 0.850 1.013 1.182 1.360
1.0033 1.0085 1.0190 1.0296 1.0403 1.0511 1.0620 1.0730 1.0842 1.0955 1.1070 1.1304 1.1545 1.1796 1.2059
1.3339 1.3348 1.3367 1.3386 1.3405 1.3424 1.3443 1.3462 1.3481 1.3501 1.3520 1.3560 1.3601 1.3644 1.3689
0.08 0.14 0.26 0.37 0.48 0.59 0.70 0.82 0.93 1.05 1.18 1.45 1.75
1.017 1.036 1.084 1.129 1.173 1.221 1.276 1.336 1.400 1.469 1.543 1.701 1.889 2.136 2.449
0.015 0.030 0.045 0.061 0.076 0.092 0.108 0.124 0.140 0.157 0.173 0.190
0.015 0.030 0.045 0.060 0.075 0.090 0.106 0.121 0.137 0.152 0.168 0.184
1.0009 1.0036 1.0062 1.0089 1.0115 1.0142 1.0169 1.0196 1.0223 1.0250 1.0277 1.0305
1.3339 1.3348 1.3356 1.3365 1.3374 1.3383 1.3392 1.3400 1.3409 1.3418 1.3427 1.3436
0.07 0.14 0.21 0.27 0.33 0.40 0.46 0.52 0.58 0.65 0.71 0.77
1.017 1.032 1.046 1.062 1.077 1.093 1.109 1.125 1.142 1.160 1.178 1.197
0.109 0.219 0.443 0.671 0.904 1.142 1.385 1.634 1.887 2.147 2.412 2.960 3.534
0.108 0.216 0.432 0.646 0.860 1.074 1.286 1.498 1.710 1.921 2.131 2.551 2.967
0.9973 0.9963 0.9945 0.9927 0.9910 0.9893 0.9878 0.9862 0.9847 0.9833 0.9819 0.9792 0.9765
1.3333 1.3336 1.3342 1.3348 1.3354 1.3360 1.3367 1.3374 1.3381 1.3388 1.3395 1.3410 1.3425
0.20 0.40 0.81 1.23 1.65 2.09 2.54 2.99 3.47 3.96 4.47 5.56 6.73
1.023 1.046 1.095 1.140 1.183 1.228 1.279 1.331 1.385 1.442 1.501 1.627 1.761
4/30/05 8:47:06 AM
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Solute
Ethylene glycol (CH2OH)2
Ferric chloride FeCl3
Section 8.indb 57
Mass % 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0 36.0 38.0 40.0 42.0 44.0 46.0 48.0 50.0 60.0 70.0 80.0 90.0 92.0 94.0 96.0 98.0 100.0
m/mol kg–1 4.134 4.765 5.427 6.122 6.855 7.626 8.441 9.303 10.215 11.182 12.210 13.304 14.471 15.718 17.055 18.490 20.036 21.706 32.559 50.648 86.824 195.355 249.620 340.062 520.946
c/mol L–1 3.382 3.795 4.205 4.613 5.018 5.419 5.817 6.212 6.601 6.987 7.370 7.747 8.120 8.488 8.853 9.213 9.568 9.919 11.605 13.183 14.649 15.980 16.225 16.466 16.697 16.920 17.133
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 24.0 28.0 32.0 36.0 40.0 44.0 48.0 52.0 56.0 60.0
0.081 0.163 0.329 0.498 0.671 0.848 1.028 1.213 1.401 1.593 1.790 2.197 2.623 3.069 3.537 4.028 5.088 6.265 7.582 9.062 10.741 12.659 14.872 17.453 20.505 24.166
0.5 1.0 2.0 3.0 4.0 5.0
0.031 0.062 0.126 0.191 0.257 0.324
8-57
ρ/g cm–3 0.9739 0.9713 0.9687 0.9660 0.9632 0.9602 0.9571 0.9539 0.9504 0.9468 0.9431 0.9392 0.9352 0.9311 0.9269 0.9227 0.9183 0.9139 0.8911 0.8676 0.8436 0.8180 0.8125 0.8070 0.8013 0.7954 0.7893
n 1.3440 1.3455 1.3469 1.3484 1.3498 1.3511 1.3524 1.3535 1.3546 1.3557 1.3566 1.3575 1.3583 1.3590 1.3598 1.3604 1.3610 1.3616 1.3638 1.3652 1.3658 1.3650 1.3646 1.3642 1.3636 1.3630 1.3614
∆/°C 8.01 9.40 10.92 12.60 14.47 16.41 18.43 20.47 22.44 24.27 25.98 27.62 29.26 30.98 32.68 34.36 36.04 37.67 44.93
η/mPa s 1.890 2.019 2.142 2.259 2.370 2.476 2.581 2.667 2.726 2.768 2.803 2.829 2.846 2.852 2.850 2.843 2.832 2.813 2.547 2.214 1.881 1.542 1.475 1.407 1.342 1.273 1.203
0.080 0.161 0.322 0.484 0.646 0.809 0.972 1.136 1.299 1.464 1.628 1.959 2.292 2.626 2.962 3.300 3.981 4.669 5.364 6.067 6.776 7.491 8.212 8.939 9.671 10.406
0.9988 0.9995 1.0007 1.0019 1.0032 1.0044 1.0057 1.0070 1.0082 1.0095 1.0108 1.0134 1.0161 1.0188 1.0214 1.0241 1.0296 1.0350 1.0405 1.0460 1.0514 1.0567 1.0619 1.0670 1.0719 1.0765
1.3335 1.3339 1.3348 1.3358 1.3367 1.3377 1.3386 1.3396 1.3405 1.3415 1.3425 1.3444 1.3464 1.3484 1.3503 1.3523 1.3564 1.3605 1.3646 1.3687 1.3728 1.3769 1.3811 1.3851 1.3892 1.3931
0.15 0.30 0.61 0.92 1.24 1.58 1.91 2.26 2.62 2.99 3.37 4.16 5.01 5.91 6.89 7.93 10.28 13.03 16.23 19.82 23.84 28.32 33.30 38.81 44.83 51.23
1.010 1.020 1.048 1.074 1.099 1.125 1.153 1.182 1.212 1.243 1.277 1.348 1.424 1.500 1.578 1.661 1.843 2.047 2.280 2.537 2.832 3.166 3.544 3.981 4.475 5.026
0.031 0.062 0.125 0.189 0.255 0.321
1.0025 1.0068 1.0153 1.0238 1.0323 1.0408
1.3344 1.3358 1.3386 1.3413 1.3441 1.3468
0.21 0.39 0.75 1.15 1.56 2.00
1.024 1.047 1.093 1.139 1.187 1.238
4/30/05 8:47:07 AM
8-58 Solute
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Mass % 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 24.0 28.0 32.0 36.0 40.0
m/mol kg–1 0.394 0.464 0.536 0.610 0.685 0.841 1.004 1.174 1.353 1.541 1.947 2.398 2.901 3.468 4.110
c/mol L–1 0.388 0.457 0.526 0.597 0.669 0.817 0.969 1.126 1.289 1.457 1.810 2.189 2.595 3.030 3.496
ρ/g cm–3 1.0493 1.0580 1.0668 1.0760 1.0853 1.1040 1.1228 1.1420 1.1615 1.1816 1.2234 1.2679 1.3153 1.3654 1.4176
n 1.3496 1.3524 1.3552 1.3581 1.3611 1.3670 1.3730
∆/°C 2.48 2.99 3.57 4.19 4.85 6.38 8.22 10.45 13.08 16.14 23.79 33.61 49.16
η/mPa s 1.292 1.350 1.412 1.480 1.553 1.707 1.879 2.080 2.311 2.570 3.178 4.038 5.274 7.130 9.674
Formic acid HCOOH
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 28.0 36.0 44.0 52.0 60.0 68.0
0.109 0.219 0.443 0.672 0.905 1.143 1.387 1.635 1.889 2.149 2.414 2.962 3.537 4.138 4.769 5.431 8.449 12.220 17.070 23.535 32.587 46.166
0.109 0.217 0.436 0.655 0.876 1.097 1.320 1.544 1.768 1.994 2.221 2.678 3.139 3.605 4.074 4.548 6.481 8.477 10.529 12.633 14.813 17.054
0.9994 1.0006 1.0029 1.0053 1.0077 1.0102 1.0126 1.0150 1.0175 1.0199 1.0224 1.0273 1.0322 1.0371 1.0419 1.0467 1.0654 1.0839 1.1015 1.1183 1.1364 1.1544
1.3333 1.3336 1.3342 1.3348 1.3354 1.3359 1.3365 1.3371 1.3376 1.3382 1.3387 1.3397 1.3408 1.3418 1.3428 1.3437 1.3475 1.3511 1.3547 1.3581 1.3612 1.3641
0.21 0.42 0.82 1.24 1.67 2.10 2.53 2.97 3.40 3.84 4.27 5.19 6.11 7.06 8.08 9.11 13.10 17.65 22.93 29.69 38.26
1.006 1.011 1.017 1.195 1.032 1.039 1.046 1.052 1.058 1.064 1.070 1.082 1.094 1.106 1.119 1.132 1.179 1.227 1.281 1.340 1.410 1.490
D-Fructose C6H12O6
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0
0.028 0.056 0.113 0.172 0.231 0.292 0.354 0.418 0.483 0.549 0.617 0.757 0.904 1.057 1.218 1.388 1.566 1.753 1.950 2.159 2.379 2.612
0.028 0.056 0.112 0.168 0.225 0.283 0.340 0.399 0.458 0.517 0.576 0.697 0.820 0.945 1.072 1.201 1.332 1.465 1.600 1.738 1.878 2.020
1.0002 1.0021 1.0061 1.0101 1.0140 1.0181 1.0221 1.0262 1.0303 1.0344 1.0385 1.0469 1.0554 1.0640 1.0728 1.0816 1.0906 1.0996 1.1089 1.1182 1.1276 1.1372
1.3337 1.3344 1.3358 1.3373 1.3387 1.3402 1.3417 1.3431 1.3446 1.3461 1.3476 1.3507 1.3538 1.3569 1.3601 1.3634 1.3667 1.3700 1.3734 1.3768 1.3803 1.3839
0.05 0.10 0.21 0.32 0.43 0.54 0.66 0.78 0.90 1.03 1.16 1.43 1.71 2.01 2.32 2.64 3.05 3.43 3.82 4.20
1.015 1.028 1.054 1.080 1.106 1.134 1.165 1.198 1.232 1.270 1.309 1.391 1.483 1.587 1.703 1.837 1.986 2.154 2.348 2.562 2.817 3.112
Section 8.indb 58
4/30/05 8:47:08 AM
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Solute
Mass % 34.0 36.0 38.0 40.0 42.0 44.0 46.0 48.0
m/mol kg–1 2.859 3.122 3.402 3.700 4.019 4.361 4.728 5.124
c/mol L–1 2.164 2.312 2.461 2.613 2.767 2.925 3.084 3.247
ρ/g cm–3 1.1469 1.1568 1.1668 1.1769 1.1871 1.1975 1.2080 1.2187
n 1.3874 1.3911 1.3948 1.3985 1.4023 1.4062 1.4101 1.4141
∆/°C
8-59
η/mPa s 3.462 3.899 4.418 5.046 5.773 6.644 7.753 9.060
D-Glucose C6H12O6
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0 36.0 38.0 40.0 42.0 44.0 46.0 48.0 50.0 52.0 54.0 56.0 58.0 60.0
0.028 0.056 0.113 0.172 0.231 0.292 0.354 0.418 0.483 0.549 0.617 0.757 0.904 1.057 1.218 1.388 1.566 1.753 1.950 2.159 2.379 2.612 2.859 3.122 3.402 3.700 4.019 4.361 4.728 5.124 5.551 6.013 6.516 7.064 7.665 8.326
0.028 0.056 0.112 0.168 0.225 0.282 0.340 0.398 0.457 0.516 0.576 0.697 0.819 0.944 1.070 1.199 1.329 1.462 1.597 1.734 1.873 2.014 2.158 2.304 2.452 2.603 2.756 2.912 3.071 3.232 3.396 3.562 3.732 3.905 4.081 4.261
1.0001 1.0020 1.0058 1.0097 1.0136 1.0175 1.0214 1.0254 1.0294 1.0334 1.0375 1.0457 1.0540 1.0624 1.0710 1.0797 1.0884 1.0973 1.1063 1.1154 1.1246 1.1340 1.1434 1.1529 1.1626 1.1724 1.1823 1.1924 1.2026 1.2130 1.2235 1.2342 1.2451 1.2562 1.2676 1.2793
1.3337 1.3344 1.3358 1.3373 1.3387 1.3402 1.3417 1.3432 1.3447 1.3462 1.3477 1.3508 1.3539 1.3571 1.3603 1.3635 1.3668 1.3702 1.3736 1.3770 1.3805 1.3840 1.3876 1.3912 1.3949 1.3986 1.4024 1.4062 1.4101 1.4141 1.4181 1.4222 1.4263 1.4306 1.4349 1.4394
0.05 0.11 0.21 0.32 0.43 0.55 0.67 0.79 0.91 1.04 1.17 1.44 1.73 2.03 2.35 2.70 3.07 3.48 3.90 4.34 4.79
1.010 1.021 1.052 1.083 1.113 1.145 1.179 1.214 1.250 1.289 1.330 1.416 1.512 1.625 1.757 1.904 2.063 2.242 2.458 2.707 2.998 3.324 3.704 4.193 4.786 5.493 6.288 7.235 8.454 9.883 11.884 14.489 17.916 22.886 29.389 37.445
Glycerol CH2OHCHOHCH2OH
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0
0.055 0.110 0.222 0.336 0.452 0.572 0.693 0.817 0.944 1.074 1.207 1.481 1.768 2.068 2.384
0.054 0.109 0.218 0.327 0.438 0.548 0.659 0.771 0.883 0.996 1.109 1.337 1.568 1.800 2.035
0.9994 1.0005 1.0028 1.0051 1.0074 1.0097 1.0120 1.0144 1.0167 1.0191 1.0215 1.0262 1.0311 1.0360 1.0409
1.3336 1.3342 1.3353 1.3365 1.3376 1.3388 1.3400 1.3412 1.3424 1.3436 1.3448 1.3472 1.3496 1.3521 1.3547
0.07 0.18 0.41 0.63 0.85 1.08 1.32 1.56 1.81 2.06 2.32 2.88 3.47 4.09 4.76
1.011 1.022 1.048 1.074 1.100 1.127 1.157 1.188 1.220 1.256 1.291 1.365 1.445 1.533 1.630
Section 8.indb 59
4/30/05 8:47:09 AM
8-60
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity
Solute
Mass % 20.0 24.0 28.0 32.0 36.0 40.0 44.0 48.0 52.0 56.0 60.0 64.0 68.0 72.0 76.0 80.0 84.0 88.0 92.0 96.0 100.0
m/mol kg–1 2.715 3.429 4.223 5.110 6.108 7.239 8.532 10.024 11.764 13.820 16.288 19.305 23.075 27.923 34.387 43.436 57.009 79.632 124.878 260.615
c/mol L–1 2.271 2.752 3.242 3.742 4.252 4.771 5.300 5.838 6.385 6.944 7.512 8.092 8.680 9.277 9.884 10.498 11.121 11.753 12.392 13.039 13.694
ρ/g cm–3 1.0459 1.0561 1.0664 1.0770 1.0876 1.0984 1.1092 1.1200 1.1308 1.1419 1.1530 1.1643 1.1755 1.1866 1.1976 1.2085 1.2192 1.2299 1.2404 1.2508 1.2611
n 1.3572 1.3624 1.3676 1.3730 1.3785 1.3841 1.3897 1.3954 1.4011 1.4069 1.4129 1.4189 1.4249 1.4310 1.4370 1.4431 1.4492 1.4553 1.4613 1.4674 1.4735
∆/°C 5.46 7.01 8.77 10.74 12.96 15.50
η/mPa s 1.737 1.988 2.279 2.637 3.088 3.653 4.443 5.413 6.666 8.349 10.681 13.657 18.457 27.625 40.571 59.900 84.338 147.494 384.467 780.458
Hydrochloric acid HCl
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0 36.0 38.0 40.0
0.138 0.277 0.560 0.848 1.143 1.444 1.751 2.064 2.385 2.713 3.047 3.740 4.465 5.224 6.020 6.857 7.736 8.661 9.636 10.666 11.754 12.907 14.129 15.427 16.810 18.284
0.137 0.275 0.553 0.833 1.117 1.403 1.691 1.983 2.277 2.574 2.873 3.481 4.099 4.729 5.370 6.023 6.687 7.362 8.049 8.748 9.456 10.175 10.904 11.642 12.388 13.140
1.0007 1.0031 1.0081 1.0130 1.0179 1.0228 1.0278 1.0327 1.0377 1.0426 1.0476 1.0576 1.0676 1.0777 1.0878 1.0980 1.1083 1.1185 1.1288 1.1391 1.1492 1.1594 1.1693 1.1791 1.1886 1.1977
1.3341 1.3353 1.3376 1.3399 1.3422 1.3445 1.3468 1.3491 1.3515 1.3538 1.3561 1.3607 1.3653 1.3700 1.3746 1.3792 1.3838 1.3884 1.3930 1.3976 1.4020 1.4066 1.4112 1.4158 1.4204 1.4250
0.49 0.99 2.08 3.28 4.58 5.98 7.52 9.22 11.10 13.15 15.40 20.51
1.008 1.015 1.029 1.044 1.059 1.075 1.091 1.108 1.125 1.143 1.161 1.199 1.239 1.282 1.326 1.374 1.426 1.483 1.547 1.620 1.705 1.799 1.900 2.002 2.105
Lactic acid CH3CHOHCOOH
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0
0.056 0.112 0.227 0.343 0.463 0.584 0.709 0.836 0.965 1.098 1.233 1.514
0.055 0.111 0.223 0.334 0.447 0.560 0.673 0.787 0.902 1.017 1.132 1.365
0.9992 1.0002 1.0023 1.0043 1.0065 1.0086 1.0108 1.0131 1.0153 1.0176 1.0199 1.0246
1.3335 1.3340 1.3350 1.3360 1.3370 1.3380 1.3390 1.3400 1.3410 1.3420 1.3430 1.3450
0.10 0.19 0.38 0.57 0.76 0.95 1.16 1.36 1.57 1.79 2.02 2.49
1.014 1.027 1.056 1.084 1.110 1.138 1.167 1.198 1.229 1.262 1.296 1.366
Section 8.indb 60
4/30/05 8:47:10 AM
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Solute
Mass % 14.0 16.0 18.0 20.0 24.0 28.0 32.0 36.0 40.0 44.0 48.0 52.0 56.0 60.0 64.0 68.0 72.0 76.0 80.0
m/mol kg–1 1.807 2.115 2.437 2.775 3.506 4.317 5.224 6.244 7.401 8.722 10.247 12.026 14.129 16.652 19.736 23.590 28.546 35.154 44.405
c/mol L–1 1.600 1.837 2.076 2.318 2.807 3.305 3.811 4.325 4.847 5.377 5.917 6.466 7.023 7.588 8.161 8.741 9.328 9.922 10.522
ρ/g cm–3 1.0294 1.0342 1.0390 1.0439 1.0536 1.0632 1.0728 1.0822 1.0915 1.1008 1.1105 1.1201 1.1297 1.1392 1.1486 1.1579 1.1670 1.1760 1.1848
n 1.3470 1.3491 1.3511 1.3532 1.3573 1.3615 1.3657 1.3700 1.3743 1.3786 1.3828 1.3871 1.3914 1.3958 1.4001 1.4045 1.4088 1.4131 1.4173
∆/°C 2.99 3.48 3.96 4.44
8-61
η/mPa s 1.441 1.522 1.607 1.699 1.902 2.136 2.414 2.730 3.114 3.566 4.106 4.789 5.579 6.679 8.024 9.863 12.866 16.974 22.164
Lactose C12H22O11
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0
0.015 0.030 0.060 0.090 0.122 0.154 0.186 0.220 0.254 0.289 0.325 0.398 0.476 0.556 0.641
0.015 0.029 0.059 0.089 0.119 0.149 0.179 0.210 0.241 0.272 0.304 0.367 0.432 0.498 0.565
1.0002 1.0021 1.0061 1.0102 1.0143 1.0184 1.0225 1.0267 1.0308 1.0349 1.0390 1.0473 1.0558 1.0648 1.0746
1.3337 1.3345 1.3359 1.3375 1.3390 1.3406 1.3421 1.3437 1.3453 1.3468 1.3484 1.3515 1.3548 1.3582 1.3619
0.03 0.06 0.11 0.17 0.23 0.29 0.35 0.42 0.50
1.013 1.026 1.058 1.089 1.120 1.154 1.191 1.232 1.276 1.321 1.370 1.476 1.593 1.724 1.869
Lithium chloride LiCl
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0
0.119 0.238 0.481 0.730 0.983 1.241 1.506 1.775 2.051 2.333 2.621 3.217 3.840 4.493 5.178 5.897 6.653 7.449 8.288 9.173 10.109
0.118 0.237 0.476 0.719 0.964 1.211 1.462 1.715 1.971 2.230 2.491 3.022 3.564 4.118 4.683 5.260 5.851 6.453 7.069 7.700 8.344
1.0012 1.0041 1.0099 1.0157 1.0215 1.0272 1.0330 1.0387 1.0444 1.0502 1.0560 1.0675 1.0792 1.0910 1.1029 1.1150 1.1274 1.1399 1.1527 1.1658 1.1791
1.3341 1.3351 1.3373 1.3394 1.3415 1.3436 1.3457 1.3478 1.3499 1.3520 1.3541 1.3583 1.3625 1.3668 1.3711 1.3755 1.3799 1.3844 1.3890 1.3936 1.3983
0.42 0.84 1.72 2.68 3.73 4.86 6.14 7.56 9.11 10.79 12.61 16.59 21.04
1.019 1.037 1.072 1.108 1.146 1.185 1.226 1.269 1.313 1.360 1.411 1.522 1.647 1.787 1.942 2.128 2.341 2.600 2.925 3.318 3.785
0.5 1.0 2.0
0.053 0.106 0.214
0.053 0.106 0.213
1.0022 1.0062 1.0144
1.3343 1.3356 1.3381
0.26 0.52 1.06
1.024 1.046 1.091
Magnesium chloride MgCl2
Section 8.indb 61
4/30/05 8:47:11 AM
8-62 Solute
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Mass % 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0
m/mol kg–1 0.325 0.438 0.553 0.670 0.791 0.913 1.039 1.167 1.432 1.710 2.001 2.306 2.626 2.962 3.317 3.690 4.085 4.501
c/mol L–1 0.322 0.433 0.546 0.660 0.777 0.895 1.015 1.137 1.387 1.645 1.911 2.184 2.467 2.758 3.060 3.371 3.692 4.022
ρ/g cm–3 1.0226 1.0309 1.0394 1.0479 1.0564 1.0651 1.0738 1.0826 1.1005 1.1189 1.1372 1.1553 1.1742 1.1938 1.2140 1.2346 1.2555 1.2763
n 1.3406 1.3432 1.3457 1.3483 1.3508 1.3534 1.3560 1.3587 1.3641 1.3695 1.3749 1.3804 1.3859 1.3915 1.3972 1.4030 1.4089 1.4148
∆/°C 1.65 2.30 3.01
η/mPa s 1.139 1.188 1.241 1.298 1.358 1.423 1.493 1.570 1.745 1.956 2.207 2.507 2.867 3.323 3.917 4.694 5.709 7.017
Magnesium sulfate MgSO4
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0
0.042 0.084 0.170 0.257 0.346 0.437 0.530 0.625 0.722 0.822 0.923 1.133 1.352 1.582 1.824 2.077 2.343 2.624 2.919
0.042 0.084 0.169 0.256 0.345 0.436 0.528 0.623 0.719 0.817 0.917 1.122 1.336 1.557 1.788 2.027 2.275 2.532 2.800
1.0033 1.0084 1.0186 1.0289 1.0392 1.0497 1.0602 1.0708 1.0816 1.0924 1.1034 1.1257 1.1484 1.1717 1.1955 1.2198 1.2447 1.2701 1.2961
1.3340 1.3350 1.3371 1.3391 1.3411 1.3431 1.3451 1.3471 1.3492 1.3512 1.3532 1.3572 1.3613 1.3654 1.3694 1.3735 1.3776 1.3817 1.3858
0.10 0.19 0.36 0.52 0.69 0.87 1.05 1.24 1.43 1.64 1.85 2.31 2.86 3.67
1.027 1.054 1.112 1.177 1.249 1.328 1.411 1.498 1.593 1.702 1.829 2.104 2.412 2.809 3.360 4.147 5.199 6.498 8.066
Maltose C12H22O11
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 40.0
0.015 0.030 0.060 0.090 0.122 0.154 0.186 0.220 0.254 0.289 0.325 0.398 0.476 0.556 0.641 0.730 0.824 0.923 1.026 1.136 1.252 1.948
0.015 0.029 0.059 0.089 0.119 0.149 0.179 0.210 0.241 0.272 0.303 0.367 0.431 0.497 0.564 0.631 0.700 0.770 0.842 0.914 0.988 1.375
1.0003 1.0023 1.0063 1.0104 1.0144 1.0184 1.0224 1.0265 1.0305 1.0345 1.0385 1.0465 1.0545 1.0629 1.0716 1.0801 1.0894 1.0984 1.1080 1.1171 1.1269 1.1769
1.3337 1.3345 1.3359 1.3374 1.3389 1.3404 1.3420 1.3435 1.3450 1.3466 1.3482 1.3513 1.3546 1.3578 1.3612 1.3644 1.3678 1.3714 1.3749 1.3785 1.3821 1.4013
0.03 0.06 0.11 0.17 0.23 0.29 0.35 0.42 0.48 0.55 0.62 0.77 0.92 1.08 1.25 1.43 1.64 1.85 2.08 2.34 2.62 4.41
1.016 1.030 1.060 1.092 1.126 1.162 1.200 1.239 1.281 1.325 1.372 1.474 1.588 1.715 1.859 2.021 2.216 2.463 2.753 3.066 3.427 6.926
Section 8.indb 62
4/30/05 8:47:12 AM
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Solute
Mass % 50.0 52.0 54.0 56.0 58.0 60.0
m/mol kg–1 2.921 3.165 3.429 3.718 4.034 4.382
c/mol L–1 1.797 1.886 1.976 2.068 2.159 2.253
ρ/g cm–3 1.2304 1.2416 1.2528 1.2638 1.2740 1.2855
n 1.4217 1.4260 1.4308 1.4350 1.4394 1.4440
∆/°C
8-63
η/mPa s 17.786 22.034 28.757 38.226 49.298
Manganese(II) sulfate MnSO4
1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0
0.067 0.135 0.205 0.276 0.349 0.423 0.498 0.576 0.655 0.736 0.903 1.078 1.261 1.454 1.656
0.067 0.135 0.204 0.275 0.347 0.421 0.495 0.572 0.650 0.729 0.893 1.063 1.240 1.424 1.616
1.0080 1.0178 1.0277 1.0378 1.0480 1.0583 1.0688 1.0794 1.0902 1.1012 1.1236 1.1467 1.1705 1.1950 1.2203
1.3348 1.3366 1.3384 1.3402 1.3420 1.3438 1.3457 1.3475 1.3494 1.3513 1.3551 1.3589 1.3629 1.3668 1.3708
0.16 0.31 0.44 0.57 0.70 0.84 0.98 1.12 1.28 1.44 1.80 2.21 2.67 3.19 3.80
1.046 1.090 1.137 1.187 1.242 1.301 1.363 1.431 1.505 1.587 1.779 2.005 2.272 2.580 2.938
D-Mannitol CH2(CHOH)4CH2OH
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 11.0 12.0 13.0 14.0 15.0
0.028 0.055 0.112 0.170 0.229 0.289 0.350 0.413 0.477 0.543 0.610 0.678 0.749 0.820 0.894 0.969
0.027 0.055 0.110 0.166 0.222 0.279 0.336 0.393 0.451 0.509 0.567 0.626 0.686 0.746 0.806 0.867
1.0000 1.0017 1.0053 1.0088 1.0124 1.0159 1.0195 1.0230 1.0266 1.0302 1.0338 1.0375 1.0412 1.0450 1.0489 1.0529
1.3337 1.3345 1.3359 1.3374 1.3389 1.3403 1.3418 1.3433 1.3447 1.3462 1.3477 1.3491 1.3506 1.3521 1.3536 1.3552
0.05 0.10 0.21 0.32 0.43 0.54 0.66 0.77 0.90 1.02 1.15 1.28 1.41 1.55 1.69 1.84
1.019 1.032 1.057 1.081 1.107 1.135 1.166 1.200 1.236 1.275 1.314 1.355 1.398 1.443 1.489 1.537
Methanol CH3OH
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0
0.157 0.315 0.637 0.965 1.300 1.643 1.992 2.349 2.714 3.087 3.468 4.256 5.081 5.945 6.851 7.803 8.803 9.856 10.966 12.138 13.376
0.156 0.311 0.621 0.930 1.238 1.544 1.850 2.155 2.459 2.762 3.064 3.665 4.262 4.856 5.447 6.034 6.616 7.196 7.771 8.341 8.908
0.9973 0.9964 0.9947 0.9930 0.9913 0.9896 0.9880 0.9864 0.9848 0.9832 0.9816 0.9785 0.9755 0.9725 0.9695 0.9666 0.9636 0.9606 0.9576 0.9545 0.9514
1.3331 1.3332 1.3334 1.3336 1.3339 1.3341 1.3343 1.3346 1.3348 1.3351 1.3354 1.3359 1.3365 1.3370 1.3376 1.3381 1.3387 1.3392 1.3397 1.3402 1.3407
0.28 0.56 1.14 1.75 2.37 3.02 3.71 4.41 5.13 5.85 6.60 8.14 9.72 11.36 13.13 15.02 16.98 19.04 21.23 23.59 25.91
1.022 1.040 1.070 1.100 1.131 1.163 1.196 1.229 1.264 1.297 1.329 1.389 1.446 1.501 1.554 1.604 1.652 1.697 1.735 1.769 1.795
Section 8.indb 63
4/30/05 8:47:13 AM
8-64 Solute
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Mass % 32.0 34.0 36.0 38.0 40.0 50.0 60.0 70.0 80.0 90.0 100.0
m/mol kg–1 14.688 16.078 17.556 19.129 20.807 31.211 46.816 72.826 124.844 280.899
c/mol L–1 9.470 10.028 10.580 11.127 11.669 14.288 16.749 19.040 21.144 23.045 24.710
ρ/g cm–3 0.9482 0.9450 0.9416 0.9382 0.9347 0.9156 0.8944 0.8715 0.8468 0.8204 0.7917
n 1.3411 1.3415 1.3419 1.3422 1.3425 1.3431 1.3426 1.3411 1.3385 1.3348 1.3290
∆/°C 28.15 30.48 32.97 35.60 38.60 54.50 74.50
η/mPa s 1.814 1.827 1.835 1.839 1.837 1.761 1.600 1.368 1.128 0.861 0.586
Nitric acid HNO3
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0 36.0 38.0 40.0
0.080 0.160 0.324 0.491 0.661 0.835 1.013 1.194 1.380 1.570 1.763 2.164 2.583 3.023 3.484 3.967 4.476 5.011 5.576 6.172 6.801 7.468 8.175 8.927 9.727 10.580
0.079 0.159 0.320 0.483 0.648 0.814 0.982 1.152 1.324 1.498 1.673 2.030 2.395 2.768 3.149 3.539 3.937 4.344 4.760 5.185 5.618 6.060 6.512 6.971 7.439 7.913
1.0009 1.0037 1.0091 1.0146 1.0202 1.0257 1.0314 1.0370 1.0427 1.0485 1.0543 1.0660 1.0780 1.0901 1.1025 1.1150 1.1277 1.1406 1.1536 1.1668 1.1801 1.1934 1.2068 1.2202 1.2335 1.2466
1.3336 1.3343 1.3356 1.3368 1.3381 1.3394 1.3407 1.3421 1.3434 1.3447 1.3460 1.3487 1.3514 1.3541 1.3569 1.3596 1.3624 1.3652 1.3680 1.3708 1.3736 1.3763 1.3790 1.3817 1.3842 1.3867
0.28 0.56 1.12 1.70 2.32 2.96 3.63 4.33 5.05 5.81 6.60 8.27 10.08 12.04 14.16
1.004 1.005 1.007 1.010 1.014 1.018 1.022 1.027 1.032 1.038 1.044 1.058 1.075 1.094 1.116 1.141 1.169 1.199 1.233 1.271 1.311 1.354 1.400 1.450 1.504 1.561
Oxalic acid (COOH)2
0.5 1.0 1.5 2.0 2.5 3.0 3.5 4.0 4.5 5.0 6.0 7.0 8.0
0.056 0.112 0.169 0.227 0.285 0.343 0.403 0.463 0.523 0.585 0.709 0.836 0.966
0.056 0.111 0.167 0.224 0.281 0.337 0.395 0.452 0.510 0.568 0.684 0.802 0.920
1.0006 1.0030 1.0054 1.0079 1.0103 1.0126 1.0150 1.0174 1.0197 1.0220 1.0265 1.0310 1.0355
1.3336 1.3342 1.3347 1.3353 1.3359 1.3364 1.3370 1.3375 1.3381 1.3386 1.3397 1.3407 1.3418
0.16 0.30 0.44 0.57 0.71 0.84 0.97 1.09
1.013 1.023 1.033 1.044 1.055 1.065 1.076 1.086 1.097 1.108 1.129 1.150 1.172
Phosphoric acid H3PO4
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0
0.051 0.103 0.208 0.316 0.425 0.537 0.651 0.768
0.051 0.102 0.206 0.311 0.416 0.523 0.631 0.740
1.0010 1.0038 1.0092 1.0146 1.0200 1.0254 1.0309 1.0363
1.3335 1.3340 1.3349 1.3358 1.3367 1.3376 1.3385 1.3394
0.12 0.24 0.46 0.69 0.93 1.16 1.38 1.62
1.010 1.020 1.050 1.079 1.108 1.138 1.169 1.200
Section 8.indb 64
4/30/05 8:47:14 AM
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Solute
Mass % 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0 36.0 38.0 40.0
m/mol kg–1 0.887 1.009 1.134 1.392 1.661 1.944 2.240 2.551 2.878 3.223 3.585 3.968 4.373 4.802 5.257 5.740 6.254 6.803
c/mol L–1 0.850 0.962 1.075 1.304 1.538 1.777 2.022 2.273 2.529 2.791 3.059 3.333 3.614 3.901 4.194 4.495 4.803 5.117
ρ/g cm–3 1.0418 1.0474 1.0531 1.0647 1.0765 1.0885 1.1009 1.1135 1.1263 1.1395 1.1528 1.1665 1.1804 1.1945 1.2089 1.2236 1.2385 1.2536
n 1.3403 1.3413 1.3422 1.3441 1.3460 1.3480 1.3500 1.3520 1.3540 1.3561 1.3582 1.3604 1.3625 1.3647 1.3669 1.3691 1.3713 1.3735
∆/°C 1.88 2.16 2.45 3.01 3.76 4.45 5.25 6.23 7.38 8.69 10.12 11.64 13.23 14.94 16.81 18.85 21.09 23.58
8-65
η/mPa s 1.232 1.267 1.303 1.382 1.469 1.565 1.671 1.788 1.914 2.049 2.198 2.365 2.553 2.766 3.001 3.260 3.544 3.856
Potassium bicarbonate KHCO3
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0
0.050 0.101 0.204 0.309 0.416 0.526 0.638 0.752 0.869 0.988 1.110 1.362 1.626 1.903 2.193 2.497 2.817 3.154
0.050 0.100 0.202 0.305 0.409 0.515 0.622 0.730 0.840 0.951 1.064 1.293 1.528 1.770 2.017 2.272 2.533 2.801
1.0014 1.0046 1.0114 1.0181 1.0247 1.0310 1.0379 1.0446 1.0514 1.0581 1.0650 1.0788 1.0929 1.1073 1.1221 1.1372 1.1527 1.1685
1.3335 1.3341 1.3353 1.3365 1.3376 1.3386 1.3397 1.3409 1.3419 1.3430 1.3441 1.3462 1.3484 1.3506 1.3528 1.3550 1.3572 1.3595
0.18 0.34 0.67 0.98 1.29 1.60 1.91 2.22 2.53 2.84 3.16 3.79 4.41
1.009 1.015 1.027 1.040 1.053 1.067 1.081 1.096 1.112 1.128 1.145 1.183 1.224 1.270 1.319 1.373 1.432 1.497
Potassium bromide KBr
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0
0.042 0.085 0.171 0.260 0.350 0.442 0.536 0.633 0.731 0.831 0.934 1.146 1.368 1.601 1.845 2.101 2.370 2.654 2.952 3.268 3.601 3.954 4.329
0.042 0.084 0.170 0.257 0.345 0.435 0.526 0.618 0.711 0.806 0.903 1.099 1.302 1.512 1.727 1.950 2.179 2.416 2.661 2.914 3.175 3.445 3.724
1.0018 1.0054 1.0127 1.0200 1.0275 1.0350 1.0426 1.0503 1.0581 1.0660 1.0740 1.0903 1.1070 1.1242 1.1419 1.1601 1.1788 1.1980 1.2179 1.2383 1.2593 1.2810 1.3033
1.3336 1.3342 1.3354 1.3366 1.3379 1.3391 1.3403 1.3416 1.3429 1.3441 1.3454 1.3481 1.3507 1.3535 1.3562 1.3591 1.3620 1.3650 1.3680 1.3711 1.3743 1.3776 1.3809
0.15 0.29 0.59 0.88 1.18 1.48 1.78 2.10 2.42 2.74 3.07 3.76 4.49 5.25 6.04 6.88 7.76 8.70 9.68 10.72 11.82 12.98
1.000 0.998 0.994 0.990 0.985 0.981 0.977 0.974 0.970 0.967 0.964 0.958 0.953 0.949 0.946 0.944 0.943 0.943 0.944 0.947 0.952 0.959 0.968
Section 8.indb 65
4/30/05 8:47:15 AM
8-66 Solute
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Mass % 36.0 38.0 40.0
m/mol kg–1 4.727 5.150 5.602
c/mol L–1 4.012 4.311 4.620
ρ/g cm–3 1.3263 1.3501 1.3746
n 1.3843 1.3878 1.3914
∆/°C
η/mPa s 0.979 0.993 1.010
Potassium carbonate K2CO3
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 24.0 28.0 32.0 36.0 40.0 50.0
0.036 0.073 0.148 0.224 0.301 0.381 0.462 0.545 0.629 0.716 0.804 0.987 1.178 1.378 1.588 1.809 2.285 2.814 3.405 4.070 4.824 7.236
0.036 0.073 0.147 0.223 0.299 0.378 0.457 0.538 0.620 0.704 0.789 0.963 1.144 1.330 1.523 1.722 2.139 2.584 3.057 3.559 4.093 5.573
1.0027 1.0072 1.0163 1.0254 1.0345 1.0437 1.0529 1.0622 1.0715 1.0809 1.0904 1.1095 1.1291 1.1490 1.1692 1.1898 1.2320 1.2755 1.3204 1.3665 1.4142 1.5404
1.3339 1.3347 1.3365 1.3382 1.3399 1.3416 1.3433 1.3450 1.3467 1.3484 1.3501 1.3535 1.3569 1.3603 1.3637 1.3671 1.3739 1.3807 1.3874 1.3940 1.4006 1.4168
0.18 0.34 0.66 0.99 1.32 1.67 2.03 2.40 2.77 3.17 3.57 4.45 5.39 6.42 7.55 8.82 11.96 16.01 21.46 28.58 37.55
1.013 1.025 1.048 1.071 1.094 1.119 1.146 1.174 1.204 1.235 1.269 1.339 1.414 1.497 1.594 1.707 1.978 2.331 2.834 3.503 4.360 9.369
Potassium chloride KCl
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0
0.067 0.135 0.274 0.415 0.559 0.706 0.856 1.010 1.166 1.327 1.490 1.829 2.184 2.555 2.944 3.353 3.783 4.236
0.067 0.135 0.271 0.409 0.549 0.691 0.835 0.980 1.127 1.276 1.426 1.733 2.048 2.370 2.701 3.039 3.386 3.742
1.0014 1.0046 1.0110 1.0174 1.0239 1.0304 1.0369 1.0434 1.0500 1.0566 1.0633 1.0768 1.0905 1.1043 1.1185 1.1328 1.1474 1.1623
1.3337 1.3343 1.3357 1.3371 1.3384 1.3398 1.3411 1.3425 1.3438 1.3452 1.3466 1.3493 1.3521 1.3549 1.3577 1.3606 1.3635 1.3665
0.23 0.46 0.92 1.38 1.85 2.32 2.80 3.29 3.80 4.30 4.81 5.88
1.000 0.999 0.999 0.998 0.997 0.996 0.994 0.992 0.990 0.989 0.988 0.990 0.994 0.999 1.004 1.012 1.024 1.040
Potassium hydroxide KOH
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0
0.090 0.180 0.364 0.551 0.743 0.938 1.138 1.342 1.550 1.763 1.980 2.431 2.902 3.395 3.913
0.089 0.179 0.362 0.548 0.736 0.929 1.124 1.322 1.524 1.729 1.938 2.365 2.806 3.261 3.730
1.0025 1.0068 1.0155 1.0242 1.0330 1.0419 1.0509 1.0599 1.0690 1.0781 1.0873 1.1059 1.1246 1.1435 1.1626
1.3340 1.3350 1.3369 1.3388 1.3408 1.3427 1.3445 1.3464 1.3483 1.3502 1.3520 1.3558 1.3595 1.3632 1.3670
0.30 0.61 1.24 1.89 2.57 3.36 4.14 4.92
1.010 1.019 1.038 1.058 1.079 1.102 1.126 1.151 1.177 1.205 1.233 1.294 1.361 1.436 1.521
Section 8.indb 66
4/30/05 8:47:16 AM
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Solute
Mass % 20.0 22.0 24.0 26.0 28.0 30.0 40.0 50.0
m/mol kg–1 4.456 5.027 5.629 6.262 6.931 7.639 11.882 17.824
c/mol L–1 4.213 4.711 5.223 5.750 6.293 6.851 9.896 13.389
8-67
ρ/g cm–3 1.1818 1.2014 1.2210 1.2408 1.2609 1.2813 1.3881 1.5024
n 1.3707 1.3744 1.3781 1.3818 1.3854 1.3889 1.4068 1.4247
∆/°C
η/mPa s 1.619 1.732 1.861 2.006 2.170 2.357 3.879 7.892
Potassium iodide KI
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0 36.0 38.0 40.0
0.030 0.061 0.123 0.186 0.251 0.317 0.385 0.453 0.524 0.596 0.669 0.821 0.981 1.147 1.322 1.506 1.699 1.902 2.117 2.343 2.582 2.835 3.103 3.388 3.692 4.016
0.030 0.061 0.122 0.184 0.248 0.312 0.377 0.443 0.511 0.579 0.648 0.790 0.937 1.088 1.244 1.405 1.571 1.744 1.922 2.106 2.297 2.495 2.700 2.913 3.134 3.364
1.0019 1.0056 1.0131 1.0206 1.0282 1.0360 1.0438 1.0517 1.0598 1.0679 1.0762 1.0931 1.1105 1.1284 1.1469 1.1659 1.1856 1.2060 1.2270 1.2487 1.2712 1.2944 1.3185 1.3434 1.3692 1.3959
1.3337 1.3343 1.3357 1.3370 1.3384 1.3397 1.3411 1.3425 1.3440 1.3454 1.3469 1.3498 1.3529 1.3560 1.3593 1.3626 1.3661 1.3696 1.3733 1.3771 1.3810 1.3851 1.3893 1.3936 1.3981 1.4027
0.11 0.22 0.43 0.64 0.86 1.08 1.30 1.53 1.77 2.01 2.26 2.77 3.30 3.87 4.46 5.09 5.76 6.46 7.21 8.01 8.86 9.76 10.72 11.73 12.81 13.97
0.999 0.997 0.991 0.986 0.981 0.976 0.969 0.963 0.957 0.951 0.946 0.937 0.929 0.921 0.915 0.910 0.905 0.901 0.898 0.895 0.892 0.891 0.890 0.890 0.893 0.897
Potassium nitrate KNO3
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0
0.050 0.100 0.202 0.306 0.412 0.521 0.631 0.744 0.860 0.978 1.099 1.349 1.610 1.884 2.171 2.473 2.790 3.123
0.050 0.099 0.200 0.302 0.405 0.509 0.615 0.722 0.830 0.940 1.051 1.277 1.509 1.747 1.991 2.240 2.497 2.759
1.0014 1.0045 1.0108 1.0171 1.0234 1.0298 1.0363 1.0428 1.0494 1.0560 1.0627 1.0762 1.0899 1.1039 1.1181 1.1326 1.1473 1.1623
1.3335 1.3339 1.3349 1.3358 1.3368 1.3377 1.3386 1.3396 1.3405 1.3415 1.3425 1.3444 1.3463 1.3482 1.3502 1.3521 1.3541 1.3561
0.17 0.33 0.64 0.94 1.22 1.50 1.76 2.02 2.27 2.52 2.75
0.999 0.996 0.990 0.986 0.983 0.980 0.977 0.975 0.973 0.971 0.970 0.970 0.972 0.976 0.982 0.990 0.999 1.010
0.5 1.0 1.5 2.0 3.0 4.0
0.032 0.064 0.096 0.129 0.196 0.264
0.032 0.064 0.096 0.128 0.193 0.260
1.0017 1.0051 1.0085 1.0118 1.0186 1.0254
0.11 0.22 0.32 0.43
1.001 1.000 0.999 0.998 0.995 0.992
Potassium permanganate KMnO4
Section 8.indb 67
4/30/05 8:47:17 AM
8-68
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity
Solute
Mass % 5.0 6.0
m/mol kg–1 0.333 0.404
c/mol L–1 0.327 0.394
ρ/g cm–3 1.0322 1.0390
n
∆/°C
η/mPa s 0.989 0.985
Potassium hydrogen phosphate K2HPO4
0.5 1.0 1.5 2.0 2.5 3.0 3.5 4.0 4.5 5.0 6.0 7.0 8.0
0.029 0.058 0.087 0.117 0.147 0.178 0.208 0.239 0.271 0.302 0.366 0.432 0.499
0.029 0.058 0.087 0.117 0.146 0.176 0.207 0.237 0.268 0.299 0.362 0.426 0.491
1.0025 1.0068 1.0110 1.0153 1.0195 1.0238 1.0281 1.0324 1.0368 1.0412 1.0500 1.0590 1.0680
1.3338 1.3345 1.3353 1.3361 1.3368 1.3376 1.3384 1.3392 1.3399 1.3407 1.3422 1.3438 1.3453
0.13 0.25 0.37 0.49 0.61 0.73 0.86 0.97 1.10 1.22 1.46 1.70 1.95
1.013 1.023 1.034 1.046 1.057 1.069 1.081 1.094 1.107 1.120 1.147 1.177 1.209
Potassium dihydrogen phosphate KH2PO4
0.5 1.0 1.5 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0
0.037 0.074 0.112 0.150 0.227 0.306 0.387 0.469 0.553 0.639 0.727 0.816
0.037 0.074 0.111 0.149 0.225 0.302 0.380 0.459 0.539 0.621 0.703 0.786
1.0018 1.0053 1.0089 1.0125 1.0197 1.0269 1.0342 1.0414 1.0486 1.0558 1.0630 1.0703
1.3336 1.3342 1.3348 1.3354 1.3365 1.3377 1.3388 1.3400 1.3411 1.3422 1.3434 1.3445
0.13 0.25 0.37 0.49 0.72 0.96 1.19 1.41 1.63 1.84 2.04 2.23
1.010 1.019 1.028 1.038 1.060 1.083 1.108 1.133 1.160 1.187 1.215 1.245
Potassium sulfate K2SO4
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0
0.029 0.058 0.117 0.177 0.239 0.302 0.366 0.432 0.499 0.568 0.638
0.029 0.058 0.116 0.176 0.237 0.298 0.360 0.424 0.488 0.554 0.620
1.0022 1.0062 1.0143 1.0224 1.0306 1.0388 1.0470 1.0553 1.0637 1.0721 1.0806
1.3336 1.3343 1.3355 1.3368 1.3380 1.3393 1.3405 1.3417 1.3428 1.3440 1.3452
0.14 0.26 0.50 0.73 0.95 1.17
1.006 1.011 1.021 1.033 1.045 1.058 1.072 1.087 1.102 1.117 1.132
1-Propanol CH3CH2CH2OH
1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 24.0 28.0 32.0 36.0
0.168 0.340 0.515 0.693 0.876 1.062 1.252 1.447 1.646 1.849 2.269 2.709 3.169 3.652 4.160 5.254 6.471 7.830 9.359
0.166 0.331 0.496 0.660 0.823 0.987 1.149 1.312 1.474 1.635 1.958 2.278 2.595 2.911 3.223 3.838 4.441 5.033 5.613
0.9963 0.9946 0.9928 0.9911 0.9896 0.9882 0.9868 0.9855 0.9842 0.9829 0.9804 0.9779 0.9749 0.9719 0.9686 0.9612 0.9533 0.9452 0.9370
1.3339 1.3348 1.3357 1.3366 1.3376 1.3385 1.3394 1.3404 1.3414 1.3423 1.3442 1.3460 1.3477 1.3494 1.3510 1.3539 1.3566 1.3592 1.3614
0.31 0.61 0.93 1.24 1.57 1.91 2.26 2.61 2.99 3.36 4.09 4.91 5.78 6.67 7.76 9.12 10.17 10.66
1.051 1.100 1.152 1.208 1.267 1.325 1.387 1.449 1.514 1.577 1.710 1.849 1.986 2.106 2.218 2.432 2.612 2.765 2.900
Section 8.indb 68
4/30/05 8:47:19 AM
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Solute
2-Propanol CH3CHOHCH3
Silver nitrate AgNO3
Sodium acetate CH3COONa
Section 8.indb 69
Mass % 40.0 60.0 80.0 100.0
m/mol kg–1 11.093 24.958 66.556
c/mol L–1 6.182 8.860 11.275 13.368
1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 40.0 60.0 80.0 100.0
0.168 0.340 0.515 0.693 0.876 1.062 1.252 1.447 1.646 1.849 2.269 2.709 3.169 3.652 4.160 11.093 24.958 66.556
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0 36.0 38.0 40.0 0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0
∆/°C
8-69
ρ/g cm–3 0.9288 0.8875 0.8470 0.8034
n 1.3635 1.3734 1.3812 1.3852
η/mPa s 3.010 3.186 2.822 2.227
0.166 0.331 0.495 0.659 0.822 0.985 1.148 1.310 1.472 1.633 1.955 2.276 2.596 2.913 3.227 6.191 8.809 11.103 13.058
0.9960 0.9939 0.9920 0.9902 0.9884 0.9871 0.9855 0.9843 0.9831 0.9816 0.9793 0.9772 0.9751 0.9725 0.9696 0.9302 0.8824 0.8341 0.7848
1.3338 1.3346 1.3355 1.3364 1.3373 1.3382 1.3392 1.3400 1.3410 1.3420 1.3439 1.3459 1.3478 1.3496 1.3514 1.3642 1.3717 1.3742 1.3776
0.30 0.60 0.93 1.26 1.61 1.96 2.32 2.68 3.06 3.48 4.43 5.29 6.36 7.40 8.52
1.056 1.112 1.166 1.225 1.287 1.352 1.417 1.485 1.553 1.629 1.794 1.970 2.160 2.352 2.550
0.030 0.059 0.120 0.182 0.245 0.310 0.376 0.443 0.512 0.582 0.654 0.803 0.958 1.121 1.292 1.472 1.660 1.859 2.068 2.289 2.523 2.770 3.033 3.311 3.608 3.925
0.030 0.059 0.120 0.181 0.243 0.307 0.371 0.437 0.503 0.571 0.641 0.783 0.930 1.083 1.241 1.406 1.577 1.755 1.940 2.132 2.332 2.541 2.758 2.985 3.223 3.472
1.0027 1.0070 1.0154 1.0239 1.0327 1.0417 1.0506 1.0597 1.0690 1.0785 1.0882 1.1079 1.1284 1.1496 1.1715 1.1942 1.2177 1.2420 1.2672 1.2933 1.3204 1.3487 1.3780 1.4087 1.4407 1.4743
1.3336 1.3342 1.3352 1.3363 1.3374 1.3385 1.3396 1.3407 1.3419 1.3431 1.3443 1.3467 1.3493 1.3519 1.3546 1.3574 1.3602 1.3632 1.3662 1.3694 1.3726 1.3760 1.3795 1.3832 1.3871 1.3911
0.10 0.20 0.40 0.59 0.78 0.96 1.15 1.33 1.51 1.69 1.87 2.21 2.55 2.86
1.003 1.005 1.009 1.013 1.016 1.020 1.024 1.027 1.031 1.035 1.039 1.049 1.060 1.072 1.086 1.101 1.117 1.135 1.154 1.176 1.200 1.227 1.257 1.290 1.326 1.366
0.061 0.123 0.249 0.377 0.508 0.642 0.778 0.918 1.060
0.061 0.122 0.246 0.371 0.497 0.624 0.752 0.882 1.013
1.0008 1.0034 1.0085 1.0135 1.0184 1.0234 1.0283 1.0334 1.0386
1.3337 1.3344 1.3358 1.3372 1.3386 1.3400 1.3414 1.3428 1.3442
0.22 0.43 0.88 1.34 1.82 2.32 2.85 3.40 3.98
1.021 1.040 1.080 1.124 1.171 1.222 1.278 1.337 1.401
4/30/05 8:47:20 AM
8-70 Solute
Sodium bicarbonate NaHCO3
Sodium bromide NaBr
Sodium carbonate Na2CO3
Section 8.indb 70
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Mass % 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0
m/mol kg–1 1.206 1.354 1.662 1.984 2.322 2.676 3.047 3.438 3.849 4.283 4.741 5.224
c/mol L–1 1.145 1.279 1.552 1.829 2.112 2.400 2.694 2.993 3.297 3.606 3.921 4.243
ρ/g cm–3 1.0440 1.0495 1.0607 1.0718 1.0830 1.0940 1.1050 1.1159 1.1268 1.1377 1.1488 1.1602
n 1.3456 1.3470 1.3498 1.3526 1.3554 1.3583 1.3611 1.3639 1.3666 1.3693 1.3720 1.3748
∆/°C 4.57
0.5 1.0 1.5 2.0 2.5 3.0 3.5 4.0 4.5 5.0 5.5 6.0
0.060 0.120 0.181 0.243 0.305 0.368 0.432 0.496 0.561 0.627 0.693 0.760
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0 36.0 38.0 40.0 0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0
η/mPa s 1.468 1.539 1.688 1.855 2.054 2.284 2.567 2.948 3.400 3.877 4.388 4.940
0.060 0.120 0.180 0.241 0.302 0.364 0.426 0.489 0.552 0.615 0.679 0.743
1.0018 1.0054 1.0089 1.0125 1.0160 1.0196 1.0231 1.0266 1.0301 1.0337 1.0372 1.0408
1.3337 1.3344 1.3351 1.3357 1.3364 1.3370 1.3377 1.3383 1.3390 1.3396 1.3403 1.3409
0.20 0.40 0.59 0.78 0.98 1.16 1.35 1.54 1.72 1.90 2.08 2.26
1.015 1.028 1.042 1.057 1.071 1.086 1.102 1.118 1.134 1.151 1.168 1.185
0.049 0.098 0.198 0.301 0.405 0.512 0.620 0.732 0.845 0.961 1.080 1.325 1.582 1.851 2.133 2.430 2.741 3.069 3.415 3.780 4.165 4.574 5.007 5.467 5.957 6.479
0.049 0.098 0.197 0.298 0.400 0.504 0.610 0.717 0.826 0.937 1.050 1.281 1.519 1.765 2.020 2.283 2.555 2.837 3.129 3.431 3.744 4.069 4.406 4.755 5.119 5.496
1.0021 1.0060 1.0139 1.0218 1.0298 1.0380 1.0462 1.0546 1.0630 1.0716 1.0803 1.0981 1.1164 1.1352 1.1546 1.1745 1.1951 1.2163 1.2382 1.2608 1.2842 1.3083 1.3333 1.3592 1.3860 1.4138
1.3337 1.3344 1.3358 1.3372 1.3386 1.3401 1.3415 1.3430 1.3445 1.3460 1.3475 1.3506 1.3538 1.3570 1.3604 1.3638 1.3673 1.3708 1.3745 1.3783 1.3822 1.3862 1.3903 1.3946 1.3990 1.4035
0.17 0.34 0.69 1.04 1.39 1.76 2.14 2.53 2.93 3.34 3.77 4.67 5.65 6.74
1.004 1.007 1.012 1.017 1.022 1.028 1.034 1.040 1.046 1.053 1.060 1.077 1.096 1.119 1.144 1.174 1.207 1.244 1.287 1.336 1.395 1.465 1.546 1.639 1.745 1.866
0.047 0.095 0.193 0.292 0.393 0.497 0.602 0.710
0.047 0.095 0.192 0.291 0.392 0.495 0.600 0.707
1.0034 1.0086 1.0190 1.0294 1.0398 1.0502 1.0606 1.0711
1.3341 1.3352 1.3375 1.3397 1.3419 1.3440 1.3462 1.3483
0.22 0.43 0.75 1.08 1.42 1.77 2.13
1.025 1.049 1.102 1.159 1.222 1.292 1.367 1.448
4/30/05 8:47:21 AM
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Solute
Mass % 8.0 9.0 10.0 11.0 12.0 13.0 14.0 15.0
m/mol kg–1 0.820 0.933 1.048 1.166 1.287 1.410 1.536 1.665
c/mol L–1 0.816 0.927 1.041 1.156 1.273 1.392 1.514 1.638
8-71
ρ/g cm–3 1.0816 1.0922 1.1029 1.1136 1.1244 1.1353 1.1463 1.1574
n 1.3504 1.3525 1.3547 1.3568 1.3589 1.3610 1.3631 1.3652
∆/°C
η/mPa s 1.538 1.638 1.754 1.884 2.028 2.186 2.361 2.551
Sodium chloride NaCl
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0
0.086 0.173 0.349 0.529 0.713 0.901 1.092 1.288 1.488 1.692 1.901 2.333 2.785 3.259 3.756 4.278 4.826 5.403 6.012
0.086 0.172 0.346 0.523 0.703 0.885 1.069 1.256 1.445 1.637 1.832 2.229 2.637 3.056 3.486 3.928 4.382 4.847 5.326
1.0018 1.0053 1.0125 1.0196 1.0268 1.0340 1.0413 1.0486 1.0559 1.0633 1.0707 1.0857 1.1008 1.1162 1.1319 1.1478 1.1640 1.1804 1.1972
1.3339 1.3347 1.3365 1.3383 1.3400 1.3418 1.3435 1.3453 1.3470 1.3488 1.3505 1.3541 1.3576 1.3612 1.3648 1.3684 1.3721 1.3757 1.3795
0.30 0.59 1.19 1.79 2.41 3.05 3.70 4.38 5.08 5.81 6.56 8.18 9.94 11.89 14.04 16.46 19.18
1.011 1.020 1.036 1.052 1.068 1.085 1.104 1.124 1.145 1.168 1.193 1.250 1.317 1.388 1.463 1.557 1.676 1.821 1.990
Sodium citrate (HO)C(COONa)3
1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 24.0 28.0 32.0 36.0
0.039 0.079 0.120 0.161 0.204 0.247 0.292 0.337 0.383 0.431 0.528 0.631 0.738 0.851 0.969 1.224 1.507 1.823 2.180
0.039 0.078 0.118 0.159 0.200 0.242 0.284 0.327 0.371 0.415 0.505 0.598 0.693 0.790 0.891 1.099 1.318 1.548 1.792
1.0049 1.0120 1.0186 1.0260 1.0331 1.0405 1.0482 1.0557 1.0632 1.0708 1.0861 1.1019 1.1173 1.1327 1.1492 1.1813 1.2151 1.2487 1.2843
1.3348 1.3366 1.3383 1.3401 1.3419 1.3437 1.3455 1.3473 1.3491 1.3509 1.3546 1.3583 1.3618 1.3656 1.3693 1.3767 1.3845 1.3923 1.4001
0.20 0.39 0.59 0.79 0.97 1.17 1.36 1.57 1.77 1.96 2.38 2.82 3.27 3.82 4.39
1.043 1.081 1.122 1.166 1.210 1.263 1.314 1.371 1.427 1.499 1.649 1.832 2.045 2.290 2.596 3.409 4.586 6.541 9.788
Sodium hydroxide NaOH
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0
0.126 0.253 0.510 0.773 1.042 1.316 1.596 1.882 2.174 2.473 2.778 3.409
0.125 0.252 0.510 0.774 1.043 1.317 1.597 1.883 2.174 2.470 2.772 3.393
1.0039 1.0095 1.0207 1.0318 1.0428 1.0538 1.0648 1.0758 1.0869 1.0979 1.1089 1.1309
1.3344 1.3358 1.3386 1.3414 1.3441 1.3467 1.3494 1.3520 1.3546 1.3572 1.3597 1.3648
0.43 0.86 1.74 2.64 3.59 4.57 5.60 6.69 7.87 9.12 10.47 13.42
1.027 1.054 1.112 1.176 1.248 1.329 1.416 1.510 1.616 1.737 1.882 2.201
Section 8.indb 71
4/30/05 8:47:22 AM
8-72
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity
Solute
m/mol kg–1 4.070 4.412 4.762 5.488 6.250 7.052 7.895 8.784 9.723 10.715 11.766 12.880 14.064 15.324 16.668
c/mol L–1 4.036 4.365 4.701 5.387 6.096 6.827 7.579 8.352 9.145 9.958 10.791 11.643 12.512 13.398 14.300
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 18.0 20.0 30.0 40.0
0.059 0.119 0.240 0.364 0.490 0.619 0.751 0.886 1.023 1.164 1.307 1.604 1.915 2.583 2.941 5.042 7.844
Sodium phosphate Na3PO4
0.5 1.0 1.5 2.0 2.5 3.0 3.5 4.0 4.5 5.0 5.5 6.0 6.5 7.0 7.5 8.0
Sodium hydrogen phosphate Na2HPO4
0.5 1.0 1.5 2.0 2.5 3.0 3.5 4.0 4.5 5.0
Sodium nitrate NaNO3
Section 8.indb 72
Mass % 14.0 15.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0 36.0 38.0 40.0
ρ/g cm–3 1.1530 1.1640 1.1751 1.1971 1.2192 1.2412 1.2631 1.2848 1.3064 1.3277 1.3488 1.3697 1.3901 1.4102 1.4299
n 1.3697 1.3722 1.3746 1.3793 1.3840 1.3885 1.3929 1.3971 1.4012 1.4051 1.4088 1.4123 1.4156 1.4186 1.4215
∆/°C 16.76
η/mPa s 2.568 2.789 3.043 3.698 4.619 5.765 7.100 8.744 10.832 13.517 16.844 20.751 25.290 30.461 36.312
0.059 0.118 0.238 0.359 0.483 0.607 0.734 0.862 0.991 1.123 1.256 1.527 1.806 2.387 2.689 4.326 6.200
1.0016 1.0050 1.0117 1.0185 1.0254 1.0322 1.0392 1.0462 1.0532 1.0603 1.0674 1.0819 1.0967 1.1272 1.1429 1.2256 1.3175
1.3336 1.3341 1.3353 1.3364 1.3375 1.3387 1.3398 1.3409 1.3421 1.3432 1.3443 1.3466 1.3489 1.3536 1.3559 1.3678 1.3802
0.20 0.40 0.79 1.18 1.56 1.94 2.32 2.70 3.08 3.46 3.84 4.60 5.37 6.98 7.81
1.004 1.007 1.012 1.018 1.025 1.032 1.040 1.049 1.059 1.069 1.081 1.107 1.138 1.215 1.263 1.609 2.226
0.031 0.062 0.093 0.124 0.156 0.189 0.221 0.254 0.287 0.321 0.355 0.389 0.424 0.459 0.495 0.530
0.031 0.062 0.093 0.125 0.157 0.189 0.222 0.255 0.289 0.323 0.357 0.392 0.427 0.462 0.498 0.535
1.0042 1.0100 1.0158 1.0216 1.0275 1.0335 1.0395 1.0456 1.0517 1.0579 1.0642 1.0705 1.0768 1.0832 1.0896 1.0961
1.3343 1.3356 1.3369 1.3381 1.3394 1.3406 1.3419 1.3432 1.3444 1.3457 1.3470 1.3482 1.3495 1.3507 1.3519 1.3532
0.19 0.37 0.53 0.67 0.79
1.033 1.064 1.094 1.126 1.161 1.198 1.238 1.281 1.327 1.375 1.426 1.480 1.538 1.598 1.662 1.729
0.035 0.071 0.107 0.144 0.181 0.218 0.255 0.293 0.332 0.371
0.035 0.071 0.107 0.143 0.180 0.217 0.255 0.292 0.331 0.369
1.0032 1.0082 1.0131 1.0180 1.0229 1.0279 1.0328 1.0378 1.0428 1.0478
1.3340 1.3349 1.3358 1.3368 1.3377 1.3386 1.3396 1.3405 1.3414 1.3424
0.17 0.32 0.46
1.021 1.042 1.064 1.088 1.113 1.138 1.165 1.193 1.223 1.254
4/30/05 8:47:23 AM
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Solute
Mass % 5.5
m/mol kg–1 0.410
c/mol L–1 0.408
ρ/g cm–3 1.0528
n 1.3433
∆/°C
8-73
η/mPa s 1.286
Sodium dihydrogen phosphate NaH2PO4
0.5 1.0 1.5 2.0 2.5 3.0 3.5 4.0 4.5 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0 36.0 38.0 40.0
0.042 0.084 0.127 0.170 0.214 0.258 0.302 0.347 0.393 0.439 0.532 0.627 0.725 0.824 0.926 1.137 1.357 1.588 1.830 2.084 2.351 2.632 2.929 3.242 3.572 3.923 4.294 4.689 5.109 5.557
0.042 0.084 0.126 0.169 0.212 0.255 0.299 0.343 0.387 0.432 0.522 0.613 0.706 0.800 0.896 1.091 1.292 1.499 1.711 1.930 2.155 2.387 2.625 2.870 3.123 3.383 3.650 3.925 4.208 4.499
1.0019 1.0056 1.0094 1.0131 1.0168 1.0206 1.0244 1.0281 1.0319 1.0358 1.0434 1.0511 1.0589 1.0668 1.0747 1.0907 1.1070 1.1236 1.1404 1.1576 1.1752 1.1931 1.2113 1.2299 1.2488 1.2682 1.2879 1.3080 1.3285 1.3493
1.3336 1.3343 1.3349 1.3356 1.3362 1.3369 1.3375 1.3382 1.3388 1.3395 1.3408 1.3421 1.3434 1.3447 1.3460 1.3486 1.3512 1.3538 1.3565 1.3592 1.3618 1.3646 1.3673 1.3700 1.3728 1.3756 1.3784 1.3812 1.3840 1.3869
0.14 0.28 0.42 0.56 0.70 0.84 0.98 1.12 1.25 1.39 1.65 1.89 2.12 2.35 2.58 3.06 3.53 4.03 4.55 5.10
1.018 1.035 1.051 1.068 1.085 1.103 1.121 1.140 1.160 1.180 1.223 1.270 1.319 1.371 1.428 1.552 1.694 1.861 2.050 2.283 2.550 2.850 3.214 3.682 4.300 5.079 6.008 7.098 8.363 9.814
Sodium sulfate Na2SO4
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0
0.035 0.071 0.144 0.218 0.293 0.371 0.449 0.530 0.612 0.696 0.782 0.960 1.146 1.341 1.545 1.760 1.986
0.035 0.071 0.143 0.217 0.291 0.367 0.445 0.523 0.603 0.685 0.768 0.938 1.114 1.296 1.483 1.677 1.875
1.0027 1.0071 1.0161 1.0252 1.0343 1.0436 1.0526 1.0619 1.0713 1.0808 1.0905 1.1101 1.1301 1.1503 1.1705 1.1907 1.2106
1.3338 1.3345 1.3360 1.3376 1.3391 1.3406 1.3420 1.3435 1.3449 1.3464 1.3479 1.3509 1.3539 1.3567 1.3595 1.3620 1.3643
0.17 0.32 0.61 0.87 1.13 1.36 1.56
1.013 1.026 1.058 1.091 1.126 1.163 1.202 1.244 1.289 1.337 1.390 1.508 1.646 1.812 2.005 2.227 2.481
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0
0.032 0.064 0.129 0.196 0.264 0.333 0.404 0.476 0.550 0.626
0.032 0.064 0.128 0.194 0.261 0.329 0.398 0.468 0.539 0.611
1.0024 1.0065 1.0148 1.0231 1.0315 1.0399 1.0483 1.0568 1.0654 1.0740
1.3340 1.3351 1.3371 1.3392 1.3413 1.3434 1.3454 1.3475 1.3496 1.3517
0.14 0.28 0.57 0.84 1.09 1.34 1.59 1.83 2.06 2.30
1.012 1.023 1.044 1.066 1.090 1.115 1.141 1.169 1.199 1.231
Sodium thiosulfate Na2S2O3
Section 8.indb 73
4/30/05 8:47:24 AM
8-74 Solute
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Mass % 10.0 12.0 14.0 16.0 18.0 20.0 30.0 40.0
m/mol kg–1 0.703 0.862 1.030 1.205 1.388 1.581 2.711 4.216
c/mol L–1 0.685 0.835 0.990 1.150 1.315 1.485 2.417 3.498
ρ/g cm–3 1.0827 1.1003 1.1182 1.1365 1.1551 1.1740 1.2739 1.3827
n 1.3538 1.3581 1.3624 1.3667 1.3711 1.3756 1.3987 1.4229
∆/°C 2.55 3.06 3.60 4.17 4.76 5.37
η/mPa s 1.267 1.345 1.435 1.537 1.657 1.798 2.903 5.758
Strontium chloride SrCl2
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0 36.0
0.032 0.064 0.129 0.195 0.263 0.332 0.403 0.475 0.549 0.624 0.701 0.860 1.027 1.202 1.385 1.577 1.779 1.992 2.216 2.453 2.703 2.968 3.250 3.548
0.032 0.064 0.128 0.194 0.261 0.329 0.399 0.469 0.541 0.615 0.689 0.843 1.002 1.167 1.338 1.515 1.699 1.890 2.087 2.293 2.507 2.730 2.962 3.205
1.0027 1.0071 1.0161 1.0252 1.0344 1.0437 1.0532 1.0628 1.0726 1.0825 1.0925 1.1131 1.1342 1.1558 1.1780 1.2008 1.2241 1.2481 1.2728 1.2983 1.3248 1.3523 1.3811 1.4114
1.3339 1.3348 1.3366 1.3384 1.3402 1.3421 1.3440 1.3459 1.3478 1.3498 1.3518 1.3558 1.3599 1.3641 1.3684 1.3728 1.3772 1.3817 1.3864 1.3911 1.3961 1.4013 1.4067 1.4124
0.16 0.31 0.62 0.93 1.26 1.61 1.98 2.38 2.80 3.25 3.74 4.81 6.03 7.41 8.98 10.74 12.74 14.99
1.012 1.021 1.039 1.057 1.076 1.096 1.116 1.136 1.157 1.180 1.204 1.258 1.317 1.383 1.460 1.549 1.650 1.765 1.897 2.056 2.245 2.527 2.846 3.206
Sucrose C12H22O11
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0 36.0 38.0 40.0 42.0
0.015 0.030 0.060 0.090 0.122 0.154 0.186 0.220 0.254 0.289 0.325 0.398 0.476 0.556 0.641 0.730 0.824 0.923 1.026 1.136 1.252 1.375 1.505 1.643 1.791 1.948 2.116
0.015 0.029 0.059 0.089 0.118 0.149 0.179 0.210 0.241 0.272 0.303 0.367 0.431 0.497 0.564 0.632 0.700 0.771 0.842 0.914 0.988 1.063 1.139 1.216 1.295 1.375 1.456
1.0002 1.0021 1.0060 1.0099 1.0139 1.0178 1.0218 1.0259 1.0299 1.0340 1.0381 1.0465 1.0549 1.0635 1.0722 1.0810 1.0899 1.0990 1.1082 1.1175 1.1270 1.1366 1.1464 1.1562 1.1663 1.1765 1.1868
1.3337 1.3344 1.3359 1.3373 1.3388 1.3403 1.3418 1.3433 1.3448 1.3463 1.3478 1.3509 1.3541 1.3573 1.3606 1.3639 1.3672 1.3706 1.3741 1.3776 1.3812 1.3848 1.3885 1.3922 1.3960 1.3999 1.4038
0.03 0.06 0.11 0.17 0.23 0.29 0.35 0.42 0.49 0.55 0.63 0.77 0.93 1.10 1.27 1.47 1.67 1.89 2.12 2.37 2.64 2.94 3.27 3.63 4.02 4.45 4.93
1.015 1.028 1.055 1.084 1.114 1.146 1.179 1.215 1.254 1.294 1.336 1.429 1.534 1.653 1.790 1.945 2.124 2.331 2.573 2.855 3.187 3.762 4.052 4.621 5.315 6.162 7.234
Section 8.indb 74
4/30/05 8:47:25 AM
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Solute
Sulfuric acid H2SO4
Trichloroacetic acid CCl3COOH
Section 8.indb 75
Mass % 44.0 46.0 48.0 50.0 60.0 70.0 80.0
m/mol kg–1 2.295 2.489 2.697 2.921 4.382 6.817 11.686
c/mol L–1 1.539 1.623 1.709 1.796 2.255 2.755 3.299
8-75
ρ/g cm–3 1.1972 1.2079 1.2186 1.2295 1.2864 1.3472 1.4117
n 1.4078 1.4118 1.4159 1.4201 1.4419 1.4654 1.4906
∆/°C
η/mPa s 8.596 10.301 12.515 15.431 58.487 481.561
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0 36.0 38.0 40.0 42.0 44.0 46.0 48.0 50.0 52.0 54.0 56.0 58.0 60.0 70.0 80.0 90.0 92.0 94.0 96.0 98.0 100.0
0.051 0.103 0.208 0.315 0.425 0.537 0.651 0.767 0.887 1.008 1.133 1.390 1.660 1.942 2.238 2.549 2.876 3.220 3.582 3.965 4.370 4.798 5.252 5.735 6.249 6.797 7.383 8.011 8.685 9.411 10.196 11.045 11.969 12.976 14.080 15.294 23.790 40.783 91.762 117.251 159.734 244.698 499.592
0.051 0.102 0.206 0.311 0.418 0.526 0.635 0.746 0.858 0.972 1.087 1.322 1.563 1.810 2.064 2.324 2.592 2.866 3.147 3.435 3.729 4.030 4.339 4.656 4.981 5.313 5.655 6.005 6.364 6.734 7.113 7.502 7.901 8.312 8.734 9.168 11.494 14.088 16.649 17.109 17.550 17.966 18.346 18.663
1.0016 1.0049 1.0116 1.0183 1.0250 1.0318 1.0385 1.0453 1.0522 1.0591 1.0661 1.0802 1.0947 1.1094 1.1245 1.1398 1.1554 1.1714 1.1872 1.2031 1.2191 1.2353 1.2518 1.2685 1.2855 1.3028 1.3205 1.3386 1.3570 1.3759 1.3952 1.4149 1.4351 1.4558 1.4770 1.4987 1.6105 1.7272 1.8144 1.8240 1.8312 1.8355 1.8361 1.8305
1.3336 1.3342 1.3355 1.3367 1.3379 1.3391 1.3403 1.3415 1.3427 1.3439 1.3451 1.3475 1.3500 1.3525 1.3551 1.3576 1.3602 1.3628 1.3653 1.3677 1.3701 1.3725 1.3749 1.3773 1.3797 1.3821 1.3846 1.3870 1.3895 1.3920 1.3945 1.3971 1.3997 1.4024 1.4050 1.4077
0.21 0.42 0.80 1.17 1.60 2.05 2.50 2.95 3.49 4.08 4.64 5.93 7.49 9.26 11.29 13.64 16.48 19.85 24.29 29.65 36.21 44.76 55.28
1.010 1.019 1.036 1.059 1.085 1.112 1.136 1.159 1.182 1.206 1.230 1.282 1.337 1.399 1.470 1.546 1.624 1.706 1.797 1.894 2.001 2.122 2.255 2.392 2.533 2.690 2.872 3.073 3.299 3.546 3.826 4.142 4.499 4.906 5.354 5.917
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0
0.031 0.062 0.125 0.189 0.255 0.322 0.391 0.461
0.031 0.061 0.123 0.186 0.249 0.313 0.377 0.442
1.0008 1.0034 1.0083 1.0133 1.0182 1.0230 1.0279 1.0328
1.3337 1.3343 1.3356 1.3369 1.3381 1.3394 1.3406 1.3418
0.11 0.21 0.42 0.64 0.86 1.08 1.30 1.53
1.011 1.021 1.044 1.069 1.096 1.123 1.150 1.177
4/30/05 8:47:26 AM
8-76
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity
Solute
Mass % 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 24.0 28.0 32.0 36.0 40.0 44.0 48.0
m/mol kg–1 0.532 0.605 0.680 0.835 0.996 1.166 1.343 1.530 1.933 2.380 2.880 3.443 4.080 4.809 5.650
c/mol L–1 0.508 0.574 0.641 0.777 0.916 1.058 1.203 1.351 1.654 1.968 2.294 2.632 2.984 3.349 3.726
ρ/g cm–3 1.0378 1.0428 1.0479 1.0583 1.0692 1.0806 1.0921 1.1035 1.1260 1.1485 1.1713 1.1947 1.2188 1.2435 1.2682
n 1.3431 1.3444 1.3456 1.3483 1.3510 1.3539 1.3568 1.3597 1.3652 1.3705 1.3759 1.3813 1.3868 1.3923 1.3977
∆/°C 1.76 1.99 2.23 2.73 3.26 3.82
η/mPa s 1.204 1.233 1.263 1.326 1.393 1.462 1.533 1.608 1.768 1.935 2.118 2.320 1.543 2.797 3.076
Tris (hydroxymethyl)methylamine H2NC(CH2OH)3
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 30.0 40.0
0.041 0.083 0.168 0.255 0.344 0.434 0.527 0.621 0.718 0.816 0.917 1.126 1.344 1.572 1.812 2.064 3.538 5.503
0.041 0.083 0.166 0.249 0.333 0.417 0.502 0.587 0.672 0.758 0.844 1.019 1.194 1.372 1.552 1.733 2.670 3.657
0.9994 1.0006 1.0030 1.0054 1.0078 1.0103 1.0128 1.0153 1.0179 1.0204 1.0230 1.0282 1.0335 1.0389 1.0443 1.0498 1.0781 1.1076
1.3337 1.3344 1.3359 1.3374 1.3388 1.3403 1.3418 1.3433 1.3448 1.3463 1.3478 1.3508 1.3539 1.3570 1.3601 1.3633 1.3797 1.3970
0.08 0.16 0.31 0.47 0.64 0.80 0.97 1.15 1.33 1.51 1.70 2.08 2.47 2.90 3.36 3.85
1.014 1.027 1.054 1.083 1.115 1.148 1.182 1.218 1.256 1.295 1.337 1.427 1.527 1.642 1.772 1.920 2.998 5.208
Urea (NH2)2CO
0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0 24.0 26.0 28.0 30.0 32.0 34.0 36.0 38.0 40.0
0.084 0.168 0.340 0.515 0.694 0.876 1.063 1.253 1.448 1.647 1.850 2.270 2.710 3.171 3.655 4.163 4.696 5.258 5.850 6.475 7.136 7.835 8.577 9.366 10.205 11.100
0.083 0.167 0.334 0.502 0.672 0.842 1.013 1.185 1.358 1.531 1.706 2.059 2.415 2.775 3.139 3.506 3.878 4.253 4.632 5.014 5.401 5.791 6.185 6.584 6.988 7.397
0.9995 1.0007 1.0033 1.0058 1.0085 1.0111 1.0138 1.0165 1.0192 1.0220 1.0248 1.0304 1.0360 1.0417 1.0473 1.0530 1.0586 1.0643 1.0699 1.0756 1.0812 1.0869 1.0926 1.0984 1.1044 1.1106
1.3337 1.3344 1.3358 1.3372 1.3387 1.3401 1.3416 1.3431 1.3446 1.3461 1.3476 1.3506 1.3537 1.3568 1.3599 1.3629 1.3661 1.3692 1.3723 1.3754 1.3785 1.3817 1.3848 1.3881 1.3913 1.3947
0.16 0.31 0.62 0.93 1.24 1.55 1.88 2.22 2.56 2.91 3.26 3.95 4.66 5.40 6.19 7.00 7.81 8.64 9.52 10.45 11.40 12.34 13.27 14.20 15.11 15.99
1.007 1.010 1.012 1.017 1.025 1.033 1.041 1.049 1.057 1.065 1.074 1.091 1.109 1.130 1.153 1.178 1.205 1.235 1.266 1.298 1.332 1.371 1.413 1.459 1.509 1.565
Section 8.indb 76
4/30/05 8:47:27 AM
Concentrative Properties of Aqueous Solutions: Density, Refractive Index, Freezing Point Depression, and Viscosity Solute
Zinc sulfate ZnSO4
Section 8.indb 77
Mass % 42.0 44.0 46.0 0.5 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 12.0 14.0 16.0
m/mol kg–1 12.057 13.082 14.183
c/mol L–1 7.812 8.234 8.665
0.031 0.063 0.126 0.192 0.258 0.326 0.395 0.466 0.539 0.613 0.688 0.845 1.008 1.180
0.031 0.062 0.126 0.191 0.258 0.326 0.395 0.465 0.537 0.611 0.686 0.840 1.002 1.170
ρ/g cm–3 1.1171 1.1239 1.1313
n 1.3982 1.4018 1.4056
∆/°C 16.83 17.62
1.0034 1.0085 1.0190 1.0296 1.0403 1.0511 1.0620 1.0730 1.0842 1.0956 1.1071 1.1308 1.1553 1.1806
1.3339 1.3348 1.3366 1.3384 1.3403 1.3421 1.3439 1.3457 1.3475 1.3494 1.3513 1.3551 1.3590 1.3630
0.08 0.15 0.28 0.41 0.53 0.65 0.77 0.89 1.01 1.14 1.27 1.55 1.89 2.31
8-77
η/mPa s 1.629 1.700 1.780 1.021 1.040 1.081 1.126 1.175 1.227 1.283 1.341 1.403 1.470 1.545 1.716 1.918 2.152
4/30/05 8:47:28 AM
ION PRODUCT OF WATER SUBSTANCE William L. Marshall and E. U. Franck Pressure (bars) Saturated vapor 250 500 750 1,000 1,500 2,000 2,500 3,000 3,500 4,000 5,000 6,000 7,000 8,000 9,000 10,000
0 14.938 14.83 14.72 14.62 14.53 14.34 14.21 14.08 13.97 13.87 13.77 13.60 13.44 13.31 13.18 13.04 12.91
25 13.995 13.90 13.82 13.73 13.66 13.53 13.40 13.28 13.18 13.09 13.00 12.83 12.68 12.55 12.43 12.31 12.21
50 13.275 13.19 13.11 13.04 12.96 12.85 12.73 12.62 12.53 12.44 12.35 12.19 12.05 11.93 11.82 11.71 11.62
Temperature (°C) 75 100 12.712 12.265 12.63 12.18 12.55 12.10 12.48 12.03 12.41 11.96 12.29 11.84 12.18 11.72 12.07 11.61 11.98 11.53 11.90 11.44 11.82 11.37 11.66 11.22 11.53 11.09 11.41 10.97 11.30 10.86 11.20 10.77 11.11 10.68
150 11.638 11.54 11.45 11.36 11.29 11.16 11.04 10.92 10.83 10.74 10.66 10.52 10.39 10.27 10.17 10.07 9.98
200 11.289 11.16 11.05 10.95 10.86 10.71 10.57 10.45 10.34 10.24 10.16 10.00 9.87 9.75 9.64 9.54 9.45
250 11.191 11.01 10.85 10.72 10.60 10.43 10.27 10.12 9.99 9.88 9.79 9.62 9.48 9.35 9.24 9.13 9.04
300 11.406 11.14 10.86 10.66 10.50 10.26 10.08 9.91 9.76 9.63 9.52 9.34 9.18 9.04 8.93 8.82 8.71
Pressure (bars) Saturated vapor 250 500 750 1,000 1,500 2,000 2,500 3,000 3,500 4,000 5,000 6,000 7,000 8,000 9,000 10,000
350 12.30 11.77 11.14 10.79 10.54 10.22 9.98 9.79 9.61 9.47 9.34 9.13 8.96 8.81 8.68 8.57 8.46
400 — 19.43 11.88 11.17 10.77 10.29 9.98 9.74 9.54 9.37 9.22 8.99 8.80 8.64 8.50 8.37 8.25
450 — 21.59 13.74 11.89 11.19 10.48 10.07 9.77 9.53 9.33 9.16 8.90 8.69 8.51 8.36 8.22 8.09
500 — 22.40 16.13 13.01 11.81 10.77 10.23 9.86 9.57 9.34 9.15 8.85 8.62 8.42 8.25 8.10 7.96
Temperature (°C) 600 — 23.27 18.30 15.25 13.40 11.59 10.73 10.18 9.78 9.48 9.23 8.85 8.57 8.34 8.13 7.95 7.78
700 — 23.81 19.29 16.55 14.70 12.50 11.36 10.63 10.11 9.71 9.41 8.95 8.61 8.34 8.10 7.89 7.70
800 — 24.23 19.92 17.35 15.58 13.30 11.98 11.11 10.49 10.02 9.65 9.11 8.72 8.40 8.13 7.89 7.68
900 — 24.59 20.39 17.93 16.22 13.97 12.54 11.59 10.89 10.35 9.93 9.30 8.86 8.51 8.21 7.95 7.70
1000 — 24.93 20.80 18.39 16.72 14.50 12.97 12.02 11.24 10.62 10.13 9.42 8.97 8.64 8.38 8.12 7.85
Data in this table were calculated from the equation, log10 Kw* = A + B/T + C/T2 + D/T3 + (E + F/T + G/T2) log10 ρw*, where Kw* = Kw/(mol kg–1), and ρw* = ρw/(g cm–3). The parameters are: A = –4.098 B = –3245.2 K C = +2.2362 × 105 K2 D = –3.984 × 107 K3
E = +13.957 F = 1262.3 K G = +8.5641 × 105 K2
Reprinted with permission from W. L. Marshall and E. U. Franck, J. Phys. Chem. Ref. Data, 10, 295, 1981.
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IONIZATION CONSTANT OF NORMAL AND HEAVY WATER This table gives the ionization constant in molality terms for H2O and D2O at temperatures from 0 to 100°C at the saturated vapor pressure. The quantity tabulated is –log KW, where KW is defined by KW = m+ × m–
References 1. Marshall W. L., and Franck, E. U., J. Phys. Chem. Ref. Data, 10, 295, 1981. 2. Mesmer R. E., and Herting, D. L., J. Solution Chem., 7, 901, 1978.
and m+ and m– are the molalities, in mol/kg of water, for H+ and OH–, respectively.
t/°C 0 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100
H2O 14.938 14.727 14.528 14.340 14.163 13.995 13.836 13.685 13.542 13.405 13.275 13.152 13.034 12.921 12.814 12.712 12.613 12.520 12.428 12.345 12.265
–log KW
D2O 15.972 15.743 15.527 15.324 15.132 14.951 14.779 14.616 14.462 14.316 14.176 14.044 13.918 13.798 13.683 13.574 13.470 13.371 13.276 13.186 13.099
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SOLUBILITY OF SELECTED GASES IN WATER L. H. Gevantman The values in this table are taken almost exclusively from the International Union of Pure and Applied Chemistry “Solubility Data Series”. Unless noted, they comprise evaluated data fitted to a smoothing equation. The data at each temperature are then derived from the smoothing equation which expresses the mole fraction solubility X1 of the gas in solution as: ln X1 = A + B/T* + C ln T* where T* = T/100 K All values refer to a partial pressure of the gas of 101.325 kPa (one atmosphere).
The equation constants, the standard deviation for ln X1 (except where noted), and the temperature range over which the equation applies are given in the column headed Equation constants. There are two exceptions. The equation for methane has an added term, DT *. The equation for H2Se and H2S takes the form, ln X1 = A + B/T + C ln T + DT where T is the temperature in kelvin. Solubilities given for those gases which react with water, namely ozone, nitrogen oxides, chlorine and its oxides, carbon dioxide, hydrogen sulfide, hydrogen selenide and sulfur dioxide, are recorded as bulk solubilities; i.e., all chemical species of the gas and its reaction products with water are included.
Gas Hydrogen (H2) Mr = 2.01588
T/K 288.15 293.15 298.15 303.15 308.15
Solubility (X1) 1.510 × 10–5 1.455 × 10–5 1.411 × 10–5 1.377 × 10–5 1.350 × 10–5
Equation constants A = –48.1611 B = 55.2845 C = 16.8893 Std. dev. = ± 0.54% Temp. range = 273.15—353.15
Ref. 1
Deuterium (D2) Mr = 4.0282
283.15 288.15 293.15 298.15 303.15
1.675 × 10–5 ± 0.57% 1.595 × 10–5 ± 0.57% 1.512 × 10–5 ± 0.78% 1.460 × 10–5 ± 0.52% 1.395 × 10–5 ± 0.37%
Averaged experimental values
Helium (He) Ar = 4.0026
288.15 293.15 298.15 303.15 308.15
7.123 × 10–6 7.044 × 10–6 6.997 × 10–6 6.978 × 10–6 6.987 × 10–6
A = –41.4611 B = 42.5962 C = 14.0094 Std. dev. = ±0.54% Temp. range = 273.15—348.15
2
Neon (Ne) Ar = 20.1797
288.15 293.15 298.15 303.15 308.15
8.702 × 10–6 8.395 × 10–6 8.152 × 10–6 7.966 × 10–6 7.829 × 10–6
A = –52.8573 B = 61.0494 C = 18.9157 Std. dev. = ±0.47% Temp. range = 273.15—348.15
2
Argon (Ar) Ar = 39.948
288.15 293.15 298.15 303.15 308.15
3.025 × 10–5 2.748 × 10–5 2.519 × 10–5 2.328 × 10–5 2.169 × 10–5
A = –57.6661 B = 74.7627 C = 20.1398 Std. dev. = ±0.26% Temp. range = 273.15—348.15
3
Krypton (Kr) Ar = 83.80
288.15 293.15 298.15 303.15 308.15
5.696 × 10–5 5.041 × 10–5 4.512 × 10–5 4.079 × 10–5 3.725 × 10–5
A = –66.9928 B = 91.0166 C = 24.2207 Std. dev. = ±0.32% Temp. range = 273.15—353.15
4
Xenon (Xe) Ar = 131.29
288.15 293.15 298.15 303.15 308.15
10.519 × 10–5 9.051 × 10–5 7.890 × 10–5 6.961 × 10–5 6.212 × 10–5
A = –74.7398 B = 105.210 C = 27.4664 Std. dev. = ±0.35% Temp. range = 273.15—348.15
4
1
Temp. range = 278.15—303.15
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Solubility of Selected Gases in Water
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8-81
Gas Radon-222(222Rn) Ar = 222
T/K 288.15 293.15 298.15 303.15 308.15
Solubility (X1) 2.299 × 10–4 1.945 × 10–4 1.671 × 10–4 1.457 × 10–4 1.288 × 10–4
Equation constants A = –90.5481 B = 130.026 C = 35.0047 Std. dev. = ±1.02% Temp. range = 273.15—373.15
Ref.
Oxygen (O2) Mr = 31.9988
288.15 293.15 298.15 303.15 308.15
2.756 × 10–5 2.501 × 10–5 2.293 × 10–5 2.122 × 10–5 1.982 × 10–5
A = –66.7354 B = 87.4755 C = 24.4526 Std. dev. = ±0.36% Temp. range = 273.15—348.15
5
Ozone (O3) Mr = 47.9982
293.15
1.885 × 10–6 ± 10% pH = 7.0
Experimental value derived from Henry’s Law Constant Equation
5
Nitrogen (N2) Mr = 28.0134
288.15 293.15 298.15 303.15 308.15
1.386 × 10–5 1.274 × 10–5 1.183 × 10–5 1.108 × 10–5 1.047 × 10–5
A = –67.3877 B = 86.3213 C = 24.7981 Std. dev. = ±0.72% Temp. range = 273.15—348.15
6
Nitrous oxide (N2O) Mr = 44.0129
288.15 293.15 298.15 303.15 308.15
5.948 × 10–4 5.068 × 10–4 4.367 × 10–4 3.805 × 10–4 3.348 × 10–4
A = –60.7467 B = 88.8280 C = 21.2531 Std. dev. = ±1.2% Temp. range = 273.15—313.15
7
Nitric oxide (NO) Mr = 30.0061
288.15 293.15 298.15 303.15 308.15
4.163 × 10–5 3.786 × 10–5 3.477 × 10–5 3.222 × 10–5 3.012 × 10–5
A = –62.8086 B = 82.3420 C = 22.8155 Std. dev. = ±0.76% Temp. range = 273.15—358.15
7
Carbon monoxide (CO) Mr = 28.0104
288.15 293.15 298.15 303.15 308.15
2.095 × 10–5 1.918 × 10–5 1.774 × 10–5 1.657 × 10–5 1.562 × 10–5
Derived from Henry’s Law Constant Equation Std. dev. = ±0.043% Temp. range = 273.15—328.15
8
Carbon dioxide (CO2) Mr = 44.0098
288.15 293.15 298.15 303.15 308.15
8.21 × 10–4 7.07 × 10–4 6.15 × 10–4 5.41 × 10–4 4.80 × 10–4
Derived from Henry’s Law Constant Equation Std. dev. = ±1.1% Temp. range = 273.15—353.15
9
Hydrogen selenide (H2Se) Mr = 80.976
288.15 298.15 308.15
1.80 × 10–3 1.49 × 10–3 1.24 × 10–3
A = 9.15 B = 974 C = –3.542 D = 0.0042 Std. dev. = ±2.3 × 10–5 Temp. range = 288.15—343.15
10
Hydrogen sulfide (H2S) Mr = 34.082
288.15 293.15 298.15 303.15 308.15
2.335 × 10–3 2.075 × 10–3 1.85 × 10–3 1.66 × 10–3 1.51 × 10–3
A = –24.912 B = 3477 C = 0.3993 D = 0.0157 Std. dev. = ±6.5 × 10–5 Temp. range = 283.15—603.15
10
Sulfur dioxide (SO2) Mr = 64.0648
288.15 293.15
3.45 × 10–2 2.90 × 10–2
A = –25.2629 B = 45.7552
11
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Solubility of Selected Gases in Water
8-82 Gas
T/K 298.15 303.15 308.15
Solubility (X1) 2.46 × 10–2 2.10 × 10–2 1.80 × 10–2
Equation constants C = 5.6855 Std. dev. = ±1.8% Temp. range = 278.15—328.15
Chlorine (Cl2) Mr = 70.9054
283.15 293.15 303.15 313.15
2.48 × 10–3 ± 2% 1.88 × 10–3 ± 2% 1.50 × 10–3 ± 2% 1.23 × 10–3 ± 2%
Experimental data Temp. range = 283.15—333.15
11
Chlorine monoxide (Cl2O) Mr = 86.9048
273.15 276.61 283.15 293.15
5.25 × 10–1 ± 1% 4.54 × 10–1 ± 1% 4.273 × 10–1 ± 1% 3.353 × 10–1 ± 1%
Experimental data Temp. range = 273.15—293.15
11
Chlorine dioxide (ClO2) Mr = 67.4515
288.15 293.15 298.15 303.15 308.15
2.67 × 10–2 2.20 × 10–2 1.823 × 10–2 1.513 × 10–2 1.259 × 10–2
A = 7.9163 B = 0.4791 C = 11.0593 Std. dev. = ±4.6% Temp. range = 283.15—333.15
11
Methane (CH4) Mr = 16.0428
288.15 293.15 298.15 303.15 308.15
3.122 × 10–5 2.806 × 10–5 2.552 × 10–5 2.346 × 10–5 2.180 × 10–5
A = –115.6477 B = 155.5756 C = 65.2553 D = –6.1698 Std. dev. = ±0.056% Temp. range = 273.15—328.15
12
Ethane (C2H6) Mr = 30.0696
288.15 293.15 298.15 303.15 308.15
4.556 × 10–5 3.907 × 10–5 3.401 × 10–5 3.002 × 10–5 2.686 × 10–5
A = –90.8225 B = 126.9559 C = 34.7413 Std. dev. = ±0.13% Temp. range = 273.15—323.15
13
Propane (C3H8) Mr = 44.097
288.15 293.15 298.15 303.15 308.15
3.813 × 10–5 3.200 × 10–5 2.732 × 10–5 2.370 × 10–5 2.088 × 10–5
A = –102.044 B = 144.345 C = 39.4740 Std. dev. = ±0.012% Temp. range = 273.15—347.15
14
Butane (C4H10) Mr = 58.123
288.15 293.15 298.15 303.15 308.15
3.274 × 10–5 2.687 × 10–5 2.244 × 10–5 1.906 × 10–5 1.645 × 10–5
A = –102.029 B = 146.040 C = 38.7599 Std. dev. = ±0.026% Temp. range = 273.15—349.15
14
2-Methyl propane (Isobutane) (C4H10) Mr = 58.123
288.15 293.15 298.15 303.15 308.15
2.333 × 10–5 1.947 × 10–5 1.659 × 10–5 1.443 × 10–5 1.278 × 10–5
A = –129.714 B = 183.044 C = 53.4651 Std. dev. = ±0.034% Temp. range = 278.15—318.15
14
References 1. C. L. Young, Ed., IUPAC Solubility Data Series, Vol. 5/6, Hydrogen and Deuterium, Pergamon Press, Oxford, England, 1981. 2. H. L. Clever, Ed., IUPAC Solubility Data Series, Vol. 1, Helium and Neon, Pergamon Press, Oxford, England, 1979. 3. H. L. Clever, Ed., IUPAC Solubility Data Series, Vol. 4, Argon, Pergamon Press, Oxford, England, 1980. 4. H. L. Clever, Ed., IUPAC Solubility Data Series, Vol. 2, Krypton, Xenon and Radon, Pergamon Press, Oxford, England, 1979.
S08_18.indd 82
Ref.
5. R. Battino, Ed., IUPAC Solubility Data Series, Vol. 7, Oxygen and Ozone, Pergamon Press, Oxford, England, 1981. 6. R. Battino, Ed., IUPAC Solubility Data Series, Vol. 10, Nitrogen and Air, Pergamon Press, Oxford, England, 1982. 7. C. L. Young, Ed., IUPAC Solubility Data Series, Vol. 8, Oxides of Nitrogen, Pergamon Press, Oxford, England, 1981. 8. R. W. Cargill, Ed., IUPAC Solubility Data Series, Vol. 43, Carbon Monoxide, Pergamon Press, Oxford, England, 1990. 9. R. Crovetto, Evaluation of Solubility Data for the System CO2-H2O, J. Phys. Chem. Ref. Data, 20, 575, 1991.
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Solubility of Selected Gases in Water 10. P. G. T. Fogg and C. L. Young, Eds., IUPAC Solubility Data Series, Vol. 32, Hydrogen Sulfide, Deuterium Sulfide, and Hydrogen Selenide, Pergamon Press, Oxford, England, 1988. 11. C. L. Young, Ed., IUPAC Solubility Data Series, Vol. 12, Sulfur Dioxide, Chlorine, Fluorine and Chlorine Oxides, Pergamon Press, Oxford, England, 1983. 12. H. L. Clever and C. L. Young, Eds., IUPAC Solubility Data Series, Vol. 27/28, Methane, Pergamon Press, Oxford, England, 1987.
S08_18.indd 83
8-83 13. W. Hayduk, Ed., IUPAC Solubility Data Series, Vol. 9, Ethane, Pergamon Press, Oxford, England, 1982. 14. W. Hayduk, Ed., IUPAC Solubility Data Series, Vol. 24, Propane, Butane and 2-Methylpropane, Pergamon Press, Oxford, England, 1986.
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SOLUBILITY OF CARBON DIOXIDE IN WATER AT VARIOUS TEMPERATURES AND PRESSURES The solubility of CO2 in water, expressed as mole fraction of CO2 in the liquid phase, is given for pressures up to atmospheric and temperatures of 0 to 100°C. Note that 1 standard atmosphere equals 101.325 kPa. The references give data over a wider range of temperature and pressure. The estimated accuracy is about 2%.
t/°C 0 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100
5 0.067 0.056 0.048 0.041 0.035 0.031 0.027 0.024 0.022 0.020 0.018 0.016 0.015 0.014 0.013 0.012 0.012 0.011 0.011 0.010 0.010
10 0.135 0.113 0.096 0.082 0.071 0.062 0.054 0.048 0.043 0.039 0.036 0.033 0.030 0.028 0.026 0.025 0.023 0.022 0.021 0.020 0.020
References 1. Carroll, J. J., Slupsky, J. D., and Mather, A. E., J. Phys. Chem. Ref. Data, 20, 1201, 1991. 2. Fernandez-Prini, R. and Crovetto, R., J. Phys. Chem. Ref. Data, 18, 1231, 1989. 3. Crovetto, R., J. Phys. Chem. Ref. Data, 20, 575,1991.
1000 × mole fraction of CO2 in liquid phase Partial pressure of CO2 in kPa 20 30 40 0.269 0.404 0.538 0.226 0.338 0.451 0.191 0.287 0.382 0.164 0.245 0.327 0.141 0.212 0.283 0.123 0.185 0.247 0.109 0.163 0.218 0.097 0.145 0.193 0.087 0.130 0.173 0.078 0.117 0.156 0.071 0.107 0.142 0.065 0.098 0.131 0.060 0.090 0.121 0.056 0.084 0.112 0.052 0.079 0.105 0.049 0.074 0.099 0.047 0.070 0.093 0.044 0.067 0.089 0.042 0.064 0.085 0.041 0.061 0.082 0.039 0.059 0.079
50 0.671 0.564 0.477 0.409 0.353 0.308 0.271 0.242 0.216 0.196 0.178 0.163 0.150 0.140 0.131 0.123 0.116 0.111 0.106 0.102 0.098
100 1.337 1.123 0.950 0.814 0.704 0.614 0.541 0.481 0.431 0.389 0.354 0.325 0.300 0.279 0.261 0.245 0.232 0.221 0.211 0.203 0.196
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AQUEOUS SOLUBILITY AND HENRY’S LAW CONSTANTS OF ORGANIC COMPOUNDS The solubility in water of about 1250 organic compounds, including many compounds of environmental interest, is tabulated here. When data are available, values are given at several temperatures between 0 and 100°C. Solids, liquids, and gases are included; additional data on gases can be found in the table “Solubility of Selected Gases in Water” in Section 8. Solubility of solids is defined as the concentration of the compound in a solution that is in equilibrium with the solid phase at the specified temperature and one atmosphere pressure. For liquids whose water mixtures separate into two phases, the solubility given here is the concentration of the specified compound in the water-rich phase at equilibrium. In the case of gases (i.e., compounds whose vapor pressure at the specified temperature exceeds one atmosphere), the solubility is defined here as the concentration in the water phase when the partial pressure of the compound above the solution is 101.325 kPa (1 atm). Values for gases are marked with an asterisk. The primary solubility values in this tables are expressed as mass percent of solute, S = 100w2, where the mass fraction w2 is defined as
w2 = m2/(m1 + m2),
where m2 is the mass of solute and m1 the mass of water. For convenience, the solubility expressed in grams of solute per liter of solution is tabulated in the adjacent column to mass percent. The conversion between these two measures involves the density of the solution, which usually is not readily available. For compounds with low solubility (say, S < 1%), the error from approximating the density is generally less than the uncertainty in the experimental solubility measurement, so that little accuracy is lost in the conversion. However, this may not be true for more soluble compounds; for that reason, some values in the table are indicated as approximate (≈). The mass fraction w2 is related to other common measures of solubility as follows: Molality: Molarity Mole fraction: Mass of solute per 100 g of H2O: Mass of solute per liter of solution:
m2 = 1000w2/M2(1 – w2) c2 = 1000ρw2/M2 x2 = (w2/M2)/{(w2/M2) + (1 – w2)/M1} r2 = 100w2/(1 – w2) 1000ρw2
Here M2 is the molar mass of the solute, M1 = 18.015 g/mol is the molar mass of water, and ρ is the density of the solution in g/mL. Data have been selected from evaluated sources wherever possible, in particular the IUPAC Solubility Data Series (References 1–4, 35, 36, 38, 39, and 42). Many values come from experimental measurements reported in the Journal of Chemical and Engineering Data and the Journal of Chemical Thermodynamics, as well as critical review papers in the Journal of Physical and Chemical Reference Data. The primary source for each value is listed in the column following the solubility values; additional references of interest are sometimes given. Many of the references contain solubility data at other temperatures and pH values and in the presence of other compounds. The user is cautioned that wide variations of data are found in the literature for the lower solubility compounds.
The table also contains values of the Henry’s Law constant kH, which provides a measure of the partition of a substance between the atmosphere and the aqueous phase. Here kH is defined as the limit of p2/c2 as the concentration approaches zero, where p2 is the partial pressure of the solute above the solution and c2 is the concentration in the solution at equilibrium (other formulations of Henry’s Law are often used; see Reference 5). The values of kH listed here are based on direct experimental measurement whenever available, but many of them are simply calculated as the ratio of the pure compound vapor pressure to the solubility. This approximation is reliable only for compounds of very low solubility. In fact, values of kH found in the literature frequently differ by a factor of two or three, and variations over an order of magnitude are not unusual (Reference 5). Therefore the data given here should be taken only as a rough indication of the true Henry’s Law constant, which is difficult to measure precisely. All values of kH refer to 25°C. If the vapor pressure of the compound at 25°C is greater than one atmosphere, it can be assumed that the kH value has been calculated as 101.325/c2 kPa m3/mol. The source of the Henry’s Law data is given in the last column. The air–water partition coefficient (i.e., ratio of air concentration to water concentration when both are expressed in the same units) is equal to kH/RT or kH/2.48 in the units used here. Compounds are listed by systematic name. To locate a compound by molecular formula or CAS Registry Number, use the indexes to the table “Physical Constants of Organic Compounds” in Section 3, which point to the entry in that table from which the name can be determined.
References 1. Solubility Data Series, International Union of Pure and Applied Chemistry, Vol. 15, Pergamon Press, Oxford, 1982. 2. Solubility Data Series, International Union of Pure and Applied Chemistry, Vol. 20, Pergamon Press, Oxford, 1985. 3. Solubility Data Series, International Union of Pure and Applied Chemistry, Vol. 37, Pergamon Press, Oxford, 1988. 4. Solubility Data Series, International Union of Pure and Applied Chemistry, Vol. 38, Pergamon Press, Oxford, 1988. 5. Mackay, D., and Shiu, W. Y., J. Phys. Chem. Ref. Data 10, 1175, 1981. 6. Pearlman, R. S., and Yalkowsky, S. H., J. Phys. Chem. Ref. Data 13, 975, 1984. 7. Shiu, W. Y., and Mackay, D., J. Phys. Chem. Ref. Data, 15, 911, 1986. 8. Varhanickova, D., Lee, S. C., Shiu, W. Y., and Mackay, D., J. Chem. Eng. Data 40, 620, 1995. 9. Miller, M. M., Ghodbane, S., Wasik, S. P., Tewari, Y. B., and Martire, D. E., J. Chem. Eng. Data 29, 184, 1984. 10. Riddick, J. A., Bunger, W. B., and Sakano, T. K., Organic Solvents, Fourth Edition, John Wiley & Sons, New York, 1986. 11. Mackay, D., Shiu, W. Y., and Ma, K. C., Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Vol. I, Lewis Publishers/CRC Press, Boca Raton, FL, 1992. 12. Mackay, D., Shiu, W. Y., and Ma, K. C., Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Vol. II, Lewis Publishers/CRC Press, Boca Raton, FL, 1992. 13. Mackay, D., Shiu, W. Y., and Ma, K. C., Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Vol. III, Lewis Publishers/CRC Press, Boca Raton, FL, 1993.
* In the following table indicates a value of S for a gas at a partial pressure of 101.325 kPa (1 atm) in equilibrium with the solution.
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Aqueous Solubility and Henry’s Law Constants of Organic Compounds
8-86
14. Horvath, A. L., Halogenated Hydrocarbons, Marcel Dekker, New York, 1982. 15. Howard, P. H., Handbook of Environmental Fate and Exposure Data for Organic Chemicals, Vol. I, Lewis Publishers/CRC Press, Boca Raton, FL, 1989. 16. Howard, P. H., Handbook of Environmental Fate and Exposure Data for Organic Chemicals, Vol. II, Lewis Publishers/CRC Press, Boca Raton, FL, 1990. 17. Banergee, S., Yalkowsky, S. H., and Valvani, S. C., Environ. Sci. Technol., 14, 1227, 1980. 18. Gevantman, L., in CRC Handbook of Chemistry and Physics, 77th Edition, p. 6-3, CRC Press, Boca Raton, FL, 1996. 19. Wilhelm, E., Battino, R., and Wilcock, R. J., Chem. Rev. 77, 219, 1977. 20. Stephenson, R. M., J. Chem. Eng. Data, 37, 80, 1992. 21. Stephenson, R. M., Stuart, J., and Tabak, M., J. Chem. Eng. Data, 29, 287, 1984. 22. Shiu, W.-Y., and Ma, K.-C, J. Phys. Chem. Ref. Data, 29, 41, 2000. 23. Lun, R., Varhanickova, D., Shiu, W.-Y., and Mackay, D., J. Chem. Eng. Data, 42, 951 (1997). 24. Huang, G.-L., Xiao, H., Chi, J., Shiu, W.-Y., and Mackay, D., J. Chem. Eng. Data, 45, 411, 2000. 25. Horvath, A. L., Getzen, F. W., and Maczynska, Z., J. Phys. Chem. Ref. Data, 28, 395, 2000 [IUPAC No. 67]. 26. Dawson, R. M. C., Elliott, D. C., Elliott, W. H., and Jones, K. M., Data for Biochemical Research, Third Edition, Clarendon Press, Oxford, 1986. 27. Stephen, H., and Stephen, T., Solubilities of Organic and Inorganic Compounds, Macmillan, New York, 1963. 28. Shiu, W.-Y., and Mackay, D., J. Chem. Eng. Data 42, 27, 1997. 29. Hinz, H.-J., ed., Thermodynamic Data for Biochemistry and Biotechnology, Springer-Verlag, Berlin, 1986. 30. Budavari, S., ed., The Merck Index, Twelfth Edition, Merck & Co., Rahway, NJ, 1996. 31. Bamford, H. A., Poster, D. L., and Baker, J. E., J. Chem. Eng. Data, 45, 1069, 2000. 32. Lide, D. R., and Milne, G. W. A., Handbook of Data on Organic Compounds, Third Edition, CRC Press, Boca Raton, FL, 1994. 33. Apelblat, A., and Manzurola, E., J. Chem. Thermodynamics 21, 1005, 1989. 34. Apelblat, A., and Manzurola, E., J. Chem. Thermodynamics 22, 289, 1990. 35. Horvath, A. L., and Getzen, F. W., J. Phys. Chem. Ref. Data 28, 649, 1999 [IUPAC No. 68]. 36. Sazonov, V. P., Marsh, K. N., and Hefter, G. T., J. Phys. Chem. Ref. Data 29, 1165, 2000 [IUPAC No. 71]. 37. Verbruggen, E. M. J., Hermens, J. L. M., and Tolls, J., J. Phys. Chem. Ref. Data 29, 1435, 2000.
Acenaphthene
Name
Mol. Form. C12H10
Acenaphthylene Acephate Acetamide Acetanilide
C12H8 C4H10NO3PS C2H5NO C8H9NO
Acetazolamide Acetohexamide Acetonitrile
C4H6N4O3S2 C15H20N2O4S C2H3N
Acetophenone
C8H8O
Acetylene
C2H2
Mol. Wt t/°C 154.207 0 25 50 152.192 20 183.166 20 59.067 20 135.163 20 70 222.246 30 324.396 37 41.052 –3 –10 120.149 25 80 26.037 25
38. Sazonov, V. P., Shaw, D. G., and Marsh, K. N., J. Phys. Chem. Ref. Data 31, 1, 2002 [IUPAC No. 77]. 39. Sazonov, V. P., and Shaw, D. G., J. Phys. Chem. Ref. Data 31, 989, 2002 [IUPAC No. 78]. 40. Yalkowsky, S. H., and He, Y., Handbook of Aqueous Solubility Data, CRC Press, Boca Raton, FL, 2003. 41. Shiu, W.-Y., and Ma, K.-C., J. Phys. Chem. Ref. Data 29, 387, 2000. 42. Shaw, D. G., and Maczynski, A., J. Phys. Chem. Ref. Data 35, 687, 2006 [IUPAC No. 81, Part 11]. 43. Nordstrom, F. L., and Rasmuson, A. C., J. Chem. Eng. Data 51, 1668, 2006. 44. Nordstrom, F. L., and Rasmuson, A. C., J. Chem. Eng. Data 51, 1775, 2006. 45. Sapoundjiev, D., Lorenz, H,. and Seidel-Morgenstern, A., J. Chem. Eng. Data 51, 1562, 2006. 46. Marche, C., Ferronato, C., and Jose, J., J. Chem. Eng. Data 48, 967, 2003. 47. Lu, J., Wang, X., Yang, X., and Ching, C., J. Chem. Eng. Data 51, 1593, 2006. 48. Achard, C., Jaoui, M., Schwing, M., and Rogalski, M., J. Chem. Eng. Data 41, 504, 1996. 49. Shareef, A., et al., J. Chem. Eng. Data 51, 879, 2006. 50. Clever, H. L., et al., J. Phys. Chem. Ref. Data 34, 201, 2005 [IUPAC No. 80]. 51. Jaoui, M., Achard, C., and Rogalski, M., J. Chem. Eng. Data 47, 297, 2002. 52. Fichan, I., Larroche, C., and Gros, J. B., J. Chem. Eng. Data 44, 56, 1999. 53. Freire, M. G., et al., J. Chem. Eng. Data 50, 237, 2005. 54. Domanska, U., and Kozlowska, M. K., J. Chem. Eng. Data 47, 456, 2002. 55. Phelan, J. M., and Barnett, J. L., J. Chem. Eng. Data 46, 375, 2001. 56. Long, B-W., Wang, L-S., and Wu, J-S., J. Chem. Eng. Data 50, 136, 2005. 57. Marche, C., Ferronato, C., and Jose, J., J. Chem. Eng. Data 49, 937, 2004. 58. Oleszek-Kudlak, S., Shibata, E., and Nakamura, T., J. Chem. Eng. Data 49, 570, 2004. 59. Lynch, J. C., et al., J. Chem. Eng. Data 46, 1549, 2001. 60. Xiao, H., Li, N., and Wania, F., J. Chem. Eng. Data 49, 173, 2004. 61. Ma, J. H. Y., Hung, H., Shiu, W-Y., and Mackay, D., J. Chem. Eng. Data 46, 619, 2001. 62. Carta, R., and Tola, G., J. Chem. Eng. Data 41, 414, 1996; 44, 563, 1999.
Solubility, S Mass% 0.00015 0.000380 0.00092 0.0016 ≈28 40.8 0.52 2.7 0.10 0.0013 40.5 31.7 0.55 1.204 0.1081*
g/L 0.0015 0.00380 0.0092 0.016 394 — 5.2 28 1.0 0.013 — — 5.5 12.2 1.081*
Ref.
4 22 4 28 40 10 27 27 40 40 39 39 28 20 19
Henry Const. kH kPa m3mol–1 Ref. 0.01217
22
0.012
28
0.00108
28
Aqueous Solubility and Henry’s Law Constants of Organic Compounds Mol. Wt t/°C 180.158 259.054 179.217 25 56.063 20 71.078 20 53.063 20 135.128 25 267.242 25 269.768 23 89.094 25 89.094 25 190.263 20 364.910 25 136.112 25 227.330 20 223.227 25
Name 2-(Acetyloxy)benzoic acid 2-(Acetyloxy)-5-bromobenzoic acid Acridine Acrolein Acrylamide Acrylonitrile Adenine Adenosine Alachlor L-Alanine β-Alanine Aldicarb Aldrin Allopurinol Ametryn 2-Amino-9,10-anthracenedione 4-Aminoazobenzene
Mol. Form. C9H8O4 C9H7BrO4 C13H9N C3H4O C3H5NO C3H3N C5H5N5 C10H13N5O4 C14H20ClNO2 C3H7NO2 C3H7NO2 C7H14N2O2S C12H8Cl6 C5H4N4O C9H17N5S C14H9NO2 C12H11N3
4-Aminobenzenesulfonamide 4-Aminobenzenesulfonic acid DL-2-Aminobutanoic acid DL-3-Aminobutanoic acid 4-Amino-N-[(butylamino)carbonyl]benzenesulfonamide 3-Amino-2,5-dichlorobenzoic acid 6-Amino-1,3-dihydro-2H-purin-2-one 4-(2-Aminoethyl)phenol 6-Aminohexanoic acid 4-Amino-2-hydroxybenzoic acid 2-Amino-2-methylpropanoic acid 4-Amino-5-methyl-2(1H)-pyrimidinone 2-Aminophenol 3-Aminophenol
C6H8N2O2S C6H7NO3S C4H9NO2 C4H9NO2 C11H17N3O3S
172.205 173.190 103.120 103.120 271.336
C7H5Cl2NO2 C5H5N5O C8H11NO C6H13NO2 C7H7NO3 C4H9NO2 C5H7N3O C6H7NO C6H7NO
206.027 151.127 137.179 131.173 153.136 103.120 125.129 109.126 109.126
4-Aminophenol Aminopyrine Amitriptyline Amobarbital Anilazine Aniline Aniline-2-carboxylic acid Aniline-4-carboxylic acid Aniline hydrochloride Anisole
C6H7NO C13H17N3O C20H23N C11H18N2O3 C9H5Cl3N4 C6H7N C7H7NO2 C7H7NO2 C6H8ClN C7H8O
109.126 231.293 277.404 226.272 275.522 93.127 137.137 137.137 129.588 108.138
Anthracene
C14H10
178.229
9,10-Anthracenedione Apomorphine L-Arginine L-Ascorbic acid
C14H8O2 C17H17NO2 C6H14N4O2 C6H8O6
208.213 267.323 174.201 176.124
L-Asparagine
C4H8N2O3
132.118
197.235
25 97 20 7 25 25 37 25 25 15 25 20 25 25 20 20 70 20 25 24 25 20 25 20 25 15 20 81 0 25 50 25 25 25 25 50 25
8-87 Solubility, S
Mass% 0.25 0.07 0.00466 20.8 ≈27 7.35 0.104 0.51 0.024 14.30 47.1 0.60 0.00002 0.057 0.0190 0.000016 0.0030 0.068 0.71 0.59 17.4 55.6 0.053 0.070 0.006 1.03 46 0.20 12.1 0.45 1.92 2.56 ≈24 1.55 4.8 0.00097 0.06 0.001 3.38 0.349 0.54 15.1 0.203 0.294 0.0000022 0.0000044 0.000029 0.00014 2.0 15.44 25.22 41.00 2.45
g/L 2.5 0.7 0.0466 ≈250 371 79.3 1.04 5.1 0.24 ≈170 — 6.02 0.0002 0.57 0.190 0.00016 0.030 0.68 7.14 5.9 ≈210 — 0.53 0.70 0.06 10.4 — 2.0 ≈135 4.5 19.6 26.3 319 15.7 50 0.0097 0.6 0.01 35.0 3.49 5.39 ≈180 2.0 2.9 0.000022 0.000044 0.00029 0.0014 20 ≈185 — — 25.1
Ref. 27 30 6 10 40 10 29 29 40 26 26 40 40 40 40 40
Henry Const. kH kPa m3mol–1 Ref.
40 40 40 27 26 26 40 40 26 40 29 40 26 26 40 40 40 40 40 40 40 40 10 40 40 27 20 20 4,42 22,42 42, 40 40 26 33 33 26
14
15
0.025 0.025
13 13
0.00396
22
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
8-88
Name L-Aspartic acid Atrazine Atropine Azinphos-methyl trans-Azobenzene Bayleton Bendiocarb Bentazon Benzaldehyde Benzamide Benz[a]anthracene
Mol. Form. C4H7NO4 C8H14ClN5 C17H23NO3 C10H12N3O3PS2 C12H10N2 C14H16ClN3O2 C11H13NO4 C10H12N2O3S C7H6O C7H7NO C18H12
Benzene
C6H6
Benzeneacetic acid 1,2-Benzenediamine
C8H8O2 C6H8N2
Mol. Wt t/°C 133.104 25 215.684 25 289.370 20 317.324 20 182.220 20 293.749 20 223.226 25 240.278 20 106.122 20 121.137 12 228.288 10 25 78.112 10 25 50 136.149 25
1,3-Benzenediamine 1,4-Benzenediamine 1,2-Benzenedicarboxamide Benzeneethanol 1,2,3-Benzenetriol 1,3,5-Benzenetriol p-Benzidine 1H-Benzimidazole
C6H8N2 C6H8N2 C8H8N2O2 C8H10O C6H6O3 C6H6O3 C12H12N2 C7H6N2
108.141 108.141 108.141 164.162 122.164 126.110 126.110 184.236 118.136
1,3-Benzodioxole-5-carboxaldehyde Benzo[b]fluoranthene Benzo[k]fluoranthene 11H-Benzo[a]fluorene 11H-Benzo[b]fluorene Benzoic acid
C8H6O3 C20H12 C20H12 C17H12 C17H12 C7H6O2
150.132 252.309 252.309 216.277 216.277 122.122
Benzoin Benzonitrile Benzo[ghi]perylene Benzophenone 2H-1-Benzopyran-2-one
C14H12O2 C7H5N C22H12 C13H10O C9H6O2
212.244 103.122 276.330 182.217 146.143
Benzo[a]pyrene Benzo[e]pyrene
C20H12 C20H12
252.309 252.309
C13H9N C6H4O2 C8H6S C22H14 C7H5NO C9H9NO3 C14H10O4 C16H15NO3 C9H10O2 C7H8O C8H8O2
179.217 108.095 134.199 278.346 119.121 179.172 242.227 269.295 150.174 108.138 136.149
Benzo[f ]quinoline p-Benzoquinone Benzo[b]thiophene Benzo[b]triphenylene Benzoxazole N-Benzoylglycine Benzoyl peroxide N-Benzoyl-L-phenylalanine Benzyl acetate Benzyl alcohol Benzyl formate
20 20 24 30 25 25 20 24 15 20 20 20 25 25 25 95 25 25 25 20 20 60 25 8 17 25 25 25 20 25 20 25 20 25 25 20 20
Solubility, S Mass% 0.501 0.007 0.3 0.00209 0.03 0.026 0.004 0.050 0.3 0.577 0.00000038 0.00000093 0.178 0.178 0.208 1.71
g/L 5.01 0.07 3 0.0209 0.3 0.26 0.04 0.50 3 5.77 0.0000038 0.0000093 1.78 1.78 2.08 17.4
Ref. 26 26 40 40 27 40 40 40 10 27 42 22,42 3 22 3 27
3.02 3.48 3.45 0.59 1.72 38.5 1.12 0.0360 0.33 0.201 0.35 0.0000002 0.00000008 0.0000045 0.0000002 0.34 6.4 0.03 0.2 0.000000026 0.0075 0.190 0.69 0.00000043 0.00000032 0.00000044 0.00000048 0.0079 1.36 0.0130 0.0000027 0.834 0.37 0.000016 0.085 0.150 0.08 1.07
31.1 36.1 35.7 5.9 17.5 — 11.3 0.360 3.3 2.01 3.5 0.000002 0.0000008 0.000045 0.000002 3.4 68 0.3 2 0.00000026 0.075 1.90 6.95 0.0000043 0.0000032 0.0000044 0.0000048 0.079 13.8 0.130 0.000027 8.34 3.7 0.00016 0.85 1.50 0.8 10.8
40 40 40 40 40 27 27 40 54 6 40 40 40 4,42 4,42 27 26 40 10 4,42 40 40 40 22,42 42 22,42 42 6 27 6 4 6 29 40 29 40 10 20
Henry Const. kH kPa m3mol–1 Ref.
0.00058
22
0.557
22
0.000075
12
0.0000465
22
0.0000467
22
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
Name
Mol. Form.
Mol. Wt
C23H22ClF3O2 C10H16N2O3S C12H10
422.868 244.310 154.207
2,2′-Bipyridine 2,2-Biquinoline Bis(4-aminophenyl) sulfone Bis(2-chloroethyl) ether
C10H8N2 C18H12N2 C12H12N2O2S C4H8Cl2O
156.184 256.301 248.300 143.012
1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethanol Bis(2-ethylhexyl) phthalate 2,2-Bis(4-hydroxyphenyl)propane 1,3-Bis(trifluoromethyl)benzene Borneol, (-)Bromacil Bromobenzene
C14H9Cl5O
370.485
C24H38O4 C15H16O2 C8H4F6 C10H18O C9H13BrN2O2 C6H5Br
390.557 228.287 214.108 154.249 261.115 157.008
2-Bromobenzoic acid 3-Bromobenzoic acid 4-Bromobenzoic acid 1-Bromobutane 4-Bromo-1-butene 1-Bromo-2-chlorobenzene 1-Bromo-3-chlorobenzene 1-Bromo-4-chlorobenzene 1-Bromo-2-chloroethane Bromochloromethane 1-Bromo-3-chloropropane 2-Bromo-2-chloro-1,1,1-trifluoroethane
C7H5BrO2 C7H5BrO2 C7H5BrO2 C4H9Br C4H7Br C6H4BrCl C6H4BrCl C6H4BrCl C2H4BrCl CH2BrCl C3H6BrCl C2HBrClF3
201.018 201.018 201.018 137.018 135.003 191.453 191.453 191.453 143.410 129.384 157.437 197.381
Bromodichloromethane Bromoethane
CHBrCl2 C2H5Br
163.829 108.965
1-Bromoheptane 1-Bromohexane 1-Bromo-4-iodobenzene Bromomethane 1-Bromo-3-methylbutane 1-Bromo-2-methylpropane 1-Bromooctane 1-Bromopentane 4-Bromophenol 1-Bromopropane
C7H15Br C6H13Br C6H4BrI CH3Br C5H11Br C4H9Br C8H17Br C5H11Br C6H5BrO C3H7Br
179.098 165.071 282.904 94.939 151.045 137.018 193.125 151.045 173.007 122.992
2-Bromopropane 3-Bromopropene 4-Bromotoluene Bromotrifluoromethane Brucine
C3H7Br C3H5Br C7H7Br CBrF3 C23H26N2O4
122.992 120.976 171.035 148.910 394.463
Bifenthrin Biotin Biphenyl
8-89 Solubility, S
t/°C 80 25 25 0 25 50 25 24 25 20 81 25
Mass% 1.43 0.00001 0.035 0.000272 0.00054 0.0022 0.61 0.000102 0.016 1.04 1.26 0.00013
g/L 14.5 0.0001 0.35 0.00272 0.0054 0.022 6.1 0.00102 0.16 10.4 12.8 0.0013
Ref. 20 32 40 4 22,58 4 40 6 40 20 20 40
25 25 25 25 25 10 25 40 25 25 25 25 25 25 25 25 30 25 25 10 25 40 30 0 25 25 25 25 20 16 18 25 25 25 0 25 20 25 25 25 20
0.000027 0.0300 0.0041 0.046 0.082 0.0387 0.0445 0.0516 0.185 0.040 0.0056 0.087 0.076 0.0124 0.0118 0.00442 0.683 1.7 0.223 0.52 0.41 0.40 0.300 1.05 0.90 0.00067 0.00258 0.000794 1.80* 0.020 0.051 0.000167 0.0127 1.86 0.298 0.234 0.32 0.38 0.011 0.032* 0.012
0.00027 0.30 0.041 0.046 0.82 0.387 0.445 0.516 1.85 0.40 0.056 0.87 0.76 0.124 0.118 0.0442 6.83 17 2.23 5.2 4.1 4.0 3.00 10.6 9.0 0.0067 0.0258 0.00794 18.3* 0.20 0.51 0.00167 0.127 19.0 2.98 2.34 3.2 3.8 0.11 0.32* 0.12
40 49 2 52 40 2 2 2 27 27 27 35 35 2 2 2 25 10 35 25 25 25 40 25 25 35 35 2 5 35 35 35 35 2 35 35 35 35 2 14 27
Henry Const. kH kPa m3mol–1 Ref.
0.0280
22
0.003
13
0.250
28
1.2
13
0.18
13
1.23
13
0.63
13
3.8 1.27
13 13
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
8-90
1,3-Butadiene Butanal Butanamide Butane 2,3-Butanedione
Name
Mol. Form. C4H6 C4H8O C4H9NO C4H10 C4H6O2
Butanenitrile 1,2,3,4-Butanetetrol 1-Butanethiol 1-Butanol
C4H7N C4H10O4 C4H10S C4H10O
2-Butanol
C4H10O
2-Butanone
C4H8O
trans-2-Butenal
C4H6O
Mol. Wt t/°C 54.091 25 72.106 25 87.120 25 58.122 25 86.090 20 80 69.106 20 122.120 20 90.187 20 74.121 0 25 50 74.121 10 25 50 72.106 25 70
1-Butene trans-2-Butenoic acid cis-2-Buten-1-ol Butyl acetate sec-Butyl acetate Butyl 4-aminobenzoate Butylbenzene sec-Butylbenzene, (±)tert-Butylbenzene Butyl ethyl ether
C4H8 C4H6O2 C4H8O C6H12O2 C6H12O2 C11H15NO2 C10H14 C10H14 C10H14 C6H14O
70.090 56.107 86.090 72.106 116.158 116.158 193.243 134.218 134.218 134.218 102.174
Butyl 4-hydroxybenzoate 4-tert-Butylphenol Butyl propanoate Butyl stearate Butyl vinyl ether 1-Butyne Caffeine Camphor, (+) trans-Camphoric acid, (±)Cantharidin Caprolactam Captafol Captan Carbaryl Carbazole Carbofuran Carbon dioxide Carbon disulfide Carbon monoxide Carboxin Carminic acid Carnosine Carvenol Carvenone, (S)Carvone, (±)-
C11H14O3 C10H14O C7H14O2 C22H44O2 C6H12O C4H6 C8H10N4O2 C10H16O C10H16O4 C10H12O4 C6H11NO C10H9Cl4NO2S C9H8Cl3NO2S C12H11NO2 C12H9N C12H15NO3 CO2 CS2 CO C12H13NO2S C22H20O13 C9H14N4O3 C10H16O C10H16O C10H14O
194.227 150.217 130.185 340.583 100.158 54.091 194.191 152.233 200.232 196.200 113.157 349.061 300.590 201.221 167.206 221.252 44.010 76.141 28.010 235.302 492.386 226.232 152.233 152.233 150.217
20 25 20 20 20 20 25 25 25 25 20 70 25 25 22 25 20 25 25 20 25 20 25 20 20 20 22 20 25 20 25 25 20 25 25 15 15
Solubility, S Mass% 0.0735* 7.1 ≈19 0.00724* 31.7 21.8 3.3 38.0 0.0597 10.4 7.4 6.4 23.9 18.1 14.0 25.9 18.1
g/L 0.735* 76 230 0.0724* — — 34 — 0.597 ≈115 80 68 ≈300 ≈210 ≈165 — ≈220
15.6 0.0222* 7.1 16.6 0.68 0.62 0.018 0.00138 0.0014 0.0032 0.65 0.39 0.020 0.058 0.572 0.2 0.3 0.287* 2.12 0.01 0.8 0.003 84.0 0.000142 0.00005 0.0102 0.000120 0.032 0.1501* 0.210 0.00276* 0.017 0.13 24.4 0.29 0.22 0.13
≈185 0.222* 76 ≈200 6.8 6.2 0.18 0.0138 0.014 0.032 6.5 3.9 0.20 0.58 5.72 2 3 2.87* 21.7 0.1 8 0.03 — 0.00142 0.0005 0.102 0.00120 0.32 1.501* 2.10 0.0276* 0.17 1.3 — 2.9 2.2 1.3
Ref.
5 10 40 18 20 20 10 27 10 1 1 1 1 1 1 20 20
10 5 26 10 10 10 40 22 4 4 20 20 40 40 27 10 10 5 29 10 27 40 10 40 40 40 6 40 18 10 18 40 40 26 52 27 27
Henry Const. kH kPa m3mol–1 Ref. 20.7 13
95.9
5
25.6
13
1.33 1.89 1.28
22 11 11
1.91
5
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
(S)-Carvone Cephalexin Chloramphenicol Chlordane 2-Chloroaniline 3-Chloroaniline 4-Chloroaniline Chlorobenzene
Name
Mol. Form. C10H14O C16H17N3O4S C11H12Cl2N2O5 C10H6Cl8 C6H6ClN C6H6ClN C6H6ClN C6H5Cl
Mol. Wt t/°C 150.217 25 347.389 25 323.129 25 409.779 25 127.572 25 127.572 20 127.572 20 112.557 10 25 45 325.186 20 156.567 25 156.567 25 156.567 25 188.652 25 92.567 1 25
Solubility, S Mass% 0.132 1.2 0.38 0.000185 0.876 0.54 0.275 0.0387 0.0484 0.055 0.001 0.209 0.040 0.072 0.00055 0.062 0.087
g/L 1.32 12 3.8 0.00185 8.76 5.44 2.75 0.387 0.484 0.55 0.01 2.09 0.40 0.72 0.0055 0.62 0.87
0.107 0.092 2.80 3.38 0.2 0.251 0.30* 0.89 0.52 0.34 0.00092 0.45 0.67* 0.27* 0.0502 1.05* 0.00136 0.0047 0.0064 0.013
1.07 0.92 29 35 2 2.51 3.0* 8.9 5.2 3.4 0.0092 4.5 6.7* 2.7* 0.502 10.6* 0.0136 0.047 0.064 0.13
35 35 20 20 40 40 10 2 2 2 40 25 25 5 40 14 35 35 35 8
0.93
8
0.0689 0.0674 0.0311 5.35* 84 67 0.493 0.1 3.6 6.8 4.0 1.17 9.2 2.9
2 2 2 5 20 20 10 10 2 2 2 40 35 35
Chlorobenzilate 2-Chlorobenzoic acid 3-Chlorobenzoic acid 4-Chlorobenzoic acid 2-Chlorobiphenyl 1-Chlorobutane
C16H14Cl2O3 C7H5ClO2 C7H5ClO2 C7H5ClO2 C12H9Cl C4H9Cl
2-Chlorobutane
C4H9Cl
3-Chloro-2-butanone
C4H7ClO
106.551
Chlorodiazepoxide Chlorodibromomethane Chlorodifluoromethane 4-Chloro-2,5-dimethylphenol 4-Chloro-2,6-dimethylphenol 4-Chloro-3,5-dimethylphenol 1-Chloro-2,4-dinitrobenzene Chloroethane
C16H14ClN3O CHBr2Cl CHClF2 C8H9ClO C8H9ClO C8H9ClO C6H3ClN2O4 C2H5Cl
299.754 208.280 86.469 156.609 156.609 156.609 202.552 64.514
Chloroethene 1-Chloro-2-fluorobenzene Chlorofluoromethane 1-Chloroheptane 1-Chlorohexane
C2H3Cl C6H4ClF CH2ClF C7H15Cl C6H13Cl
62.498 130.547 68.478 134.647 120.620
2-Chloro-4-hydroxy-5-methoxybenzaldehyde 3-Chloro-4-hydroxy-5-methoxybenzaldehyde 1-Chloro-2-iodobenzene 1-Chloro-3-iodobenzene 1-Chloro-4-iodobenzene Chloromethane 1-Chloro-2-methoxyethane
C8H7ClO3
186.593
0 25 19 92 20 30 25 25 25 25 25 0 25 25 25 25 25 5 25 25
C8H7ClO3
186.593
25
0.093
C6H4ClI C6H4ClI C6H4ClI CH3Cl C3H7ClO
238.453 238.453 238.453 50.488 94.540
(Chloromethyl)benzene 3-(Chloromethyl)heptane 2-Chloro-6-methylphenol 4-Chloro-2-methylphenol 4-Chloro-3-methylphenol (4-Chloro-2-methylphenoxy)acetic acid 1-Chloro-2-methylpropane 2-Chloro-2-methylpropane
C7H7Cl C8H17Cl C7H7ClO C7H7ClO C7H7ClO C9H9ClO3 C4H9Cl C4H9Cl
126.584 148.674 142.583 142.583 142.583 200.618 92.567 92.567
25 25 25 25 20 70 20 20 25 25 25 25 25 15
0.00689 0.00674 0.00311 0.535* 7.79 6.31 0.0493 0.01 0.36 0.68 0.40 0.117 0.92 0.29
92.567
8-91
Ref. 52 40 40 40 10 40 40 2 41 2,61 32 27 27 27 7 35 35
Henry Const. kH kPa m3mol–1 Ref.
0.32
0.0701
28
7
1.54
13
3.0
13
1.02 2.68
13 13
0.98
13
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
8-92
Name 1-Chloro-2-methylpropene 1-Chloronaphthalene 2-Chloronaphthalene 1-Chloro-2-nitrobenzene 1-Chloro-3-nitrobenzene 1-Chloro-4-nitrobenzene 3-Chloro-2-nitrobenzoic acid 5-Chloro-2-nitrobenzoic acid 1-Chlorooctane Chloropentafluoroethane 1-Chloropentane
Mol. Form. C4H7Cl C10H7Cl C10H7Cl C6H4ClNO2 C6H4ClNO2 C6H4ClNO2 C7H4ClNO4 C7H4ClNO4 C8H17Cl C2ClF5 C5H11Cl
3-Chloropentane 5-Chloro-2-pentanone
C5H11Cl C5H9ClO
2-Chlorophenol 3-Chlorophenol
C6H5ClO C6H5ClO
Mol. Wt t/°C 90.552 25 162.616 25 162.616 25 157.555 20 157.555 20 157.555 20 201.565 25 201.565 25 148.674 25 154.466 25 106.594 5 25 106.594 25 120.577 22 71 128.556 25 128.556 128.556 198.648 78.541 78.541
4-Chlorophenol N′-(4-Chlorophenyl)-N,N-dimethylurea 1-Chloropropane 2-Chloropropane
C6H5ClO C9H11ClN2O C3H7Cl C3H7Cl
3-Chloropropene
C3H5Cl
Chloropropham 1-Chlorotetradecane Chlorothalonil Chlorothiazide 2-Chlorotoluene 3-Chlorotoluene 4-Chlorotoluene Chlorotrifluoromethane 3-Chloro-1,1,1-trifluoropropane 2-Chloro-1,3,5-trinitrobenzene Chlorpyrifos Chlorsulfuron Cholic acid Chrysene
C10H12ClNO2 C14H29Cl C8Cl4N2 C7H6ClN3O4S2 C7H7Cl C7H7Cl C7H7Cl CClF3 C3H4ClF3 C6H2ClN3O6 C9H11Cl3NO3PS C12H12ClN5O4S C24H40O5 C18H12
213.661 232.833 265.911 295.724 126.584 126.584 126.584 104.459 132.512 247.549 350.586 357.773 408.572 228.288
trans-Cinnamaldehyde trans-Cinnamic acid
C9H8O C9H8O2
132.159 148.159
Citric acid Clopyralid Clorophene Cocaine Codeine Colchicine Coronene Creatine o-Cresol m-Cresol p-Cresol Crufomate
C6H8O7 C6H3Cl2NO2 C13H11ClO C17H21NO4 C18H21NO3 C22H25NO6 C24H12 C4H9N3O2 C7H8O C7H8O C7H8O C12H19ClNO3P
192.124 192.000 218.678 303.354 299.365 399.437 300.352 131.133 108.138 108.138 108.138 291.711
76.525
25 25 25 25 0 20 25 50 25 25 25 25 25 25 25 25 20 15 20 25 20 7 25 25 20 98 20 20 20 25 25 20 25 25 40 40 40 20
Solubility, S Mass% 0.916 0.00224 0.00117 0.0441 0.0273 0.0453 0.047 0.96 0.0345 0.006* 0.020 0.0201 0.025 4.7 13.5 2.27 2.2 2.55 0.023 0.250 0.44 0.30 0.40 0.13 0.0080 0.0232 0.00006 0.0283 0.0117 0.0117 0.0123 0.009* 0.133 0.018 0.000073 2.71 0.028 0.00000007 0.00000019 0.135 0.1 0.59 59 0.1 0.42 0.17 0.79 4 0.000000014 1.6 3.08 2.51 2.26 0.50
g/L 9.16 0.0224 0.0117 0.441 0.273 0.453 0.47 9.6 0.345 0.06* 0.20 0.201 0.25 49 ≈155 22.7 22 25.4 0.23 2.50 4.4 3.0 4.0 1.3 0.080 0.232 0.0006 0.283 0.117 0.117 0.123 0.09* 1.33 0.18 0.00073 27.9 0.28 0.0000007 0.0000019 1.35 1 5.9 — 1 4.2 1.7 7.9 4 0.00000014 16 31.8 25.8 23.1 5.0
Ref.
Henry Const. kH kPa m3mol–1 Ref. 0.12 5 0.0363 28 0.0335 28
5 5 5 40 40 40 27 27 35 10 260 35 35 2.37 35 20 20 2,48,51 2 2,48,51 26 35 35 35 35 35 40 35 40 40 61 61 61 10 35 40 40 32 26 42 22,42 40 26 26 26 40 40 27 27 26 4,42 26 10 10 10 40
13 13
1.41
13
1.10
5
6.9
13
0.000065
22
Aqueous Solubility and Henry’s Law Constants of Organic Compounds Mol. Wt t/°C 240.692 25 84.076 20 52.034 25 61.471 0 84.080 25 129.074 25 98.186 25 112.169 20 92 92.139 25 96.170 25 80.128 25 84.159 25 128.169 15 100.158 10 25 40
Name Cyanazine 2-Cyanoacetamide Cyanogen Cyanogen chloride Cyanoguanidine Cyanuric acid Cycloheptane Cycloheptanone
Mol. Form. C9H13ClN6 C3H4N2O C2N2 CClN C2H4N4 C3H3N3O3 C7H14 C7H12O
1,3,5-Cycloheptatriene Cycloheptene 1,4-Cyclohexadiene Cyclohexane Cyclohexanecarboxylic acid Cyclohexanol
C7H8 C7H12 C6H8 C6H12 C7H12O2 C6H12O
Cyclohexanone
C6H10O
Cyclohexanone oxime Cyclohexene Cyclohexyl butanoate
C6H11NO C6H10 C10H18O2
113.157 82.143 170.249
Cyclooctane 1,3-Cyclopentadiene Cyclopentane Cyclopentanone
C8H16 C5H6 C5H10 C5H8O
112.213 66.102 70.133 84.117
Cyclopentene Cyclopropane Cyfluthrin Cygon Cyhalothrin Cypermethrin L-Cystine Cytisine Cytosine Daminozide Dazomet Decabromobiphenyl ether Decachlorobiphenyl cis-Decahydronaphthalene trans-Decahydronaphthalene Decane Decanedioic acid Decanoic acid 1-Decanol 4-Decanone
C5H8 C3H6 C22H18Cl2FNO3 C5H12NO3PS2 C23H19ClF3NO3 C22H19Cl2NO3 C6H12N2O4S2 C11H14N2O C4H5N3O C6H12N2O3 C5H10N2S2 C12Br10O C12Cl10 C10H18 C10H18 C10H22 C10H18O4 C10H20O2 C10H22O C10H20O
68.118 42.080 434.287 229.258 449.850 416.297 240.300 190.241 111.102 160.170 162.276 959.167 498.658 138.250 138.250 142.282 202.248 172.265 158.281 156.265
1-Decene 2′-Deoxyadenosine Dexamethasone Dibenz[a,j]acridine Dibenz[a,h]anthracene
C10H20 C10H13N5O3 C22H29FO5 C21H13N C22H14
140.266 251.242 392.460 279.335 278.346
98.142
25 80 25 25 20 90 25 25 25 20 80 25 25 20 20 20 20 25 16 25 25 25 25 25 25 25 0 20 20 25 20 80 25 25 25 25 25
8-93 Solubility, S
Mass% 0.0171 11.5 0.8* 5.7 3.8 0.259 0.0030 3.61 2.82 0.064 0.0066 0.08 0.0058 0.201 4.62 3.8 3.30 8.8 6.8 1.57 0.016 0.11 0.09 0.00079 0.068 0.0157 31.0 24.8 0.054 0.0484* 0.0000002 2.6 0.0000005 0.000001 0.0166 ≈30 0.73 9.1 0.12 0.0000025 0.00000000012 0.000089 0.000089 0.0000015 0.10 0.015 0.0037 0.0238 0.0064 0.00057 0.67 0.009 0.000016 0.00000005
g/L 0.171 130 8* 60 40 2.59 0.030 37 29 0.64 0.066 0.8 0.058 2.01 48.4 40 34.1 96 73 15.9 0.16 1.1 0.90 0.0079 0.68 0.157 — — 0.54 0.484* 0.000002 27 0.000005 0.00001 0.166 439 7.3 100 1.2 0.000025 0.0000000012 0.00089 0.00089 0.000015 1.0 0.15 0.037 0.238 0.064 0.0057 6.7 0.09 0.00016 0.0000005
Ref. 40 40 30 40 40 40 3 20 20 3 3 3 3 27 1 1 1
Henry Const. kH kPa m3mol–1 Ref.
9.59
13
0.47 4.9 1.03 19.4
13 13 13 13
20 20 40 3 4.57 20 20 4 10.7 3 3 19.1 20 20 3 6.56 19 32 40 32 32 62 40 29 40 40 40 7 0.0208 37 4 3 4 479 40 26 1 20 20 4 29 40 6 42,4
13
13 13
13
7 13 13
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
8-94
1,2-Dibromo-1,1,2,3,3,3-hexafluoropropane 3,5-Dibromo-4-hydroxybenzonitrile Dibromomethane
C3Br2F6
Mol. Wt t/°C 278.346 27 267.324 24 168.191 25 184.257 25 198.260 35 235.904 25 235.904 25 235.904 25 215.915 25 222.306 20 236.333 20 256.751 20 187.861 20 50 80 309.830 21
C7H3Br2NO CH2Br2
276.913 173.835
2,4-Dibromophenol 1,2-Dibromopropane 1,3-Dibromopropane 1,2-Dibromotetrafluoroethane Dibutylamine Dibutyl ether
C6H4Br2O C3H6Br2 C3H6Br2 C2Br2F4 C8H19N C8H18O
251.903 201.888 201.888 259.823 129.244 130.228
Dibutyl phthalate Dibutyl sebacate o-Dichlorobenzene
C16H22O4 C18H34O4 C6H4Cl2
278.344 314.461 147.002
C6H4Cl2
147.002
C6H4Cl2
147.002
3,5-Dichloro-1,2-benzenediol 4,5-Dichloro-1,2-benzenediol 3,3′-Dichloro-p-benzidine 2,5-Dichlorobiphenyl 2,6-Dichlorobiphenyl 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane
C6H4Cl2O2 C6H4Cl2O2 C12H10Cl2N2 C12H8Cl2 C12H8Cl2 C14H10Cl4
179.001 179.001 253.126 223.098 223.098 320.041
1,1-Dichlorobutane 1,4-Dichlorobutane 2,3-Dichlorobutane, (±)1,2-Dichloro-1,1-difluoroethane Dichlorodifluoromethane 1,3-Dichloro-5,5-dimethyl hydantoin 1,1-Dichloroethane
C4H8Cl2 C4H8Cl2 C4H8Cl2 C2H2Cl2F2 CCl2F2 C5H6Cl2N2O2 C2H4Cl2
127.013 127.013 127.013 134.940 120.914 197.019 98.959
Name Dibenz[a,j]anthracene 13H-Dibenzo[a,i]carbazole Dibenzofuran Dibenzothiophene Dibenzyl ether o-Dibromobenzene m-Dibromobenzene p-Dibromobenzene 1,4-Dibromobutane 1,2-Dibromo-1-chloroethane 1,2-Dibromo-3-chloropropane 1,2-Dibromo-1,2-dichloroethane 1,2-Dibromoethane
m-Dichlorobenzene
p-Dichlorobenzene
Mol. Form. C22H14 C20H13N C12H8O C12H8S C14H14O C6H4Br2 C6H4Br2 C6H4Br2 C4H8Br2 C2H3Br2Cl C3H5Br2Cl C2H2Br2Cl2 C2H4Br2
Solubility, S Mass% 0.0000012 0.00000104 0.000475 0.000103 0.0040 0.00748 0.0064 0.0020 0.035 0.060 0.123 0.070 0.412 0.493 0.572 0.0068
g/L 0.000012 0.0000104 0.00475 0.00103 0.040 0.0748 0.064 0.020 0.35 0.60 1.23 0.70 3.1 3.9 5.4 0.068
Ref. 4,42 6 41 6 10 2 2 2 35 25 35 25 20 20 20 35
25 20 90 25 25 25 25 20 20 90 25 20 25 35 55 10 25 50 10 25 50 25 25 25 25 25 25
0.013 1.28 1.51 0.2 0.143 0.169 0.00030 0.47 0.023 0.010 0.00112 0.004 0.0094 0.0108 0.0139 0.0103 0.0120 0.0165 0.00512 0.0080 0.0167 0.78 1.19 0.00031 0.0002 0.00014 0.000009
0.13 11.5 15.3 2 1.43 1.69 0.0030 4.7 0.3 0.10 0.0112 0.04 0.094 0.108 0.139 0.103 0.120 0.165 0.0512 0.080 0.167 7.8 12.0 0.0031 0.002 0.0014 0.00009
40 20 20 2 10 35 25 10 20 20 15 10 2,58,61 2,58,61 2,58,61 41,2 41,2 2 2 41 2 8 8 40 7 7 40
45 25 25 20 24 20 20 0 25
0.000024 0.050 0.16 0.056 0.49 0.028* 0.050 0.62 0.50
0.00024 0.50 1.6 0.56 4.9 0.28* 0.50 6.2 5.0
40 35 35 35 25 5 40 25 25
Henry Const. kH kPa m3mol–1 Ref.
0.011
12
0.066
13
0.086
13
0.48
13
0.195
28
0.376
11
0.244
28
0.0201
7
41
0.63
13
13
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
Name
Solubility, S
C2H4Cl2
98.959
C2H2Cl2
96.943
C2H2Cl2
96.943
C2H2Cl2
96.943
C2H3Cl2F CHCl2F C3Cl2F6
116.949
t/°C 50 0 25 50 100 5 25 50 90 10 25 40 10 25 40 25
102.923 220.928
25 21
0.95* 0.0096
9.5* 0.096
10 35
C10H12Cl2
203.108
25
0.00049
0.0049
23
CH2Cl2 C8H6Cl2O3 C7H6Cl2 C5H10Cl2 C7H6Cl2O C7H6Cl2O C10H4Cl2O2 C6H3Cl2NO2 C5H10Cl2 C5H10Cl2 C5H10Cl2 C13H10Cl2O2 C6H4Cl2O C6H4Cl2O C6H4Cl2O C8H6Cl2O3 C10H10Cl2O3 C9H8Cl2O3 C3H6Cl2
84.933 221.038 161.029 141.038 177.028 177.028 227.044 192.000 141.038 141.038 141.038 269.123 163.001 163.001 163.001 221.038 249.090 235.064 112.986
1,3-Dichloropropane
C3H6Cl2
112.986
cis-1,3-Dichloropropene trans-1,3-Dichloropropene 2,3-Dichloropropene 1,2-Dichloro-1,1,2,2-tetrafluoroethane 2,4-Dichlorotoluene 2,6-Dichlorotoluene 2,2-Dichloro-1,1,1-trifluoroethane Diclofop-methyl Dieldrin Diethanolamine
C3H4Cl2 C3H4Cl2 C3H4Cl2 C2Cl2F4 C7H6Cl2 C7H6Cl2 C2HCl2F3 C16H14Cl2O4 C12H8Cl6O C4H11NO2
110.970 110.970 110.970 170.921 161.029 161.029 152.930 341.186 380.909 105.136
25 25 30 25 25 25 25 20 25 19 25 25 25 25 25 25 25 25 5 25 40 5 25 20 20 25 25 25 25 25 20 25 20
1.73 0.45 0.025 0.029 0.0283 0.0673 0.00001 0.0121 0.029 0.02 0.029 0.003 0.82 0.55 0.262 0.07 0.0046 0.083 0.270 0.274 0.297 0.218 0.280 0.27 0.28 0.215 0.013* 0.00260 0.00233 0.46 0.0003 0.000020 95.4
17.6 4.5 0.25 0.29 0.283 0.673 0.0001 0.121 0.29 0.2 0.29 0.03 8.22 5.52 2.62 0.7 0.046 0.83 2.70 2.74 2.97 2.18 2.80 2.7 2.8 2.15 0.13* 0.0260 0.0233 4.6 0.003 0.00020 —
1,2-Dichloroethane
1,1-Dichloroethene
cis-1,2-Dichloroethene
trans-1,2-Dichloroethene
1,1-Dichloro-1-fluoroethane Dichlorofluoromethane 1,2-Dichloro-1,1,2,3,3,3-hexafluoropropane 1,4-Dichloro-5-isopropyl-2-methylbenzene Dichloromethane 3,6-Dichloro-2-methoxybenzoic acid (Dichloromethyl)benzene 2,3-Dichloro-2-methylbutane 2,4-Dichloro-6-methylphenol 2,6-Dichloro-4-methylphenol 2,3-Dichloro-1,4-naphthalenedione 1,2-Dichloro-4-nitrobenzene 1,2-Dichloropentane 1,5-Dichloropentane 2,3-Dichloropentane Dichlorophene 2,3-Dichlorophenol 2,4-Dichlorophenol 2,6-Dichlorophenol (2,4-Dichlorophenoxy)acetic acid 4-(2,4-Dichlorophenoxy)butanoic acid 2-(2,4-Dichlorophenoxy)propanoic acid 1,2-Dichloropropane, (±)-
Mol. Form.
Mol. Wt
8-95
Mass% 0.50 0.92 0.86 1.05 2.17 0.310 0.242 0.225 0.355 0.76 0.64 0.66 0.53 0.45 0.41 0.042
g/L 5.0 9.2 8.6 10.6 22.1 3.10 2.42 2.25 3.55 7.6 6.4 6.6 5.3 4.5 4.1 0.42
Ref. 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25
Henry Const. kH kPa m3mol–1 Ref.
0.14
13
2.62
13
0.46
13
0.96
13
20 0.30 40 10 35 2 2 40 40 35 35 35 40 40 24,48,51 40 40 40 40 35 35 0.29 35 35 35 5 0.24 5 0.18 5 0.36 10 127 61 61 25 32 40 10
13
13
5 5 5 13
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
8-96
Name 1,1-Diethoxyethane 1,2-Diethoxyethane 2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide o-Diethylbenzene p-Diethylbenzene Diethyl carbonate Diethyl ether Diethyl glutarate
Mol. Form. C6H14O2 C6H14O2 C14H22N2O
Mol. Wt t/°C 118.174 25 118.174 20 234.337 25
C10H14 C10H14 C5H10O3 C4H10O C9H16O4
134.218 134.218 118.131 74.121 188.221
Diethyl maleate
C8H12O4
172.179
Diethyl malonate
C7H12O4
160.168
Diethyl phthalate trans-Diethylstilbestrol Diethyl succinate Diethyl sulfide Diflubenzuron o-Difluorobenzene m-Difluorobenzene p-Difluorobenzene 1,1-Difluoroethane Digitoxin Diglycolic acid
C12H14O4 C18H20O2 C8H14O4 C4H10S C14H9ClF2N2O2 C6H4F2 C6H4F2 C6H4F2 C2H4F2 C41H64O13 C4H6O5
222.237 268.351 174.195 90.187 310.683 114.093 114.093 114.093 66.050 764.939 134.088
Digoxin Dihexyl ether
C41H64O14 C12H26O
780.939 186.333
1,2-Dihydrobenz[j]aceanthrylene 1,3-Dihydro-2H-benzimidazol-2-one 1,2-Dihydro-3-methylbenz[j]aceanthrylene
C20H14 C7H6N2O C21H16
2,3-Dihydro-6-propyl-2-thioxo-4(1H)pyrimidinone 1,7-Dihydro-6H-purine-6-thione 3,4-Dihydro-2H-pyran
Solubility, S Mass% 5 21.0 0.38
5
g/L
— 3.8
Ref. 10 10 40
254.325 134.135 268.352
20 20 20 25 30 91 20 91 20 91 25 20 20 25 20 25 25 25 20 25 24 50 25 20 90 27 24 25
0.0071 0.0025 1.8 6.04 1.20 0.91 1.56 1.75 2.26 2.47 0.12 0.01 0.19 0.307 0.00002 0.114 0.114 0.122 0.29* 0.0004 40.03 59.9 0.0059 0.019 0.019 0.00000035 0.37 0.00000022
0.071 0.025 18 64.2 12.2 9.2 15.9 17.8 23.2 25 1.2 0.1 1.9 3.07 0.0002 1.14 1.14 1.22 2.9* 0.004 — — 0.059 0.19 0.19 0.0000035 3.7 0.0000022
40 40 40 10 20 20 20 20 20 20 40 40 40 40 40 2 2 2 50 40 34 34 40 20 20 6,42 54 6,42
C7H10N2OS
170.231
27 25
0.00000028 0.120
0.0000028 1.20
42 40
C5H4N4S C5H8O
152.178 84.117
1,4-Dihydroxy-9,10-anthracenedione 3,4-Dihydroxybenzoic acid
C14H8O4 C7H6O4
240.212 154.121
3,12-Dihydroxycholan-24-oic acid, (3α,5β,12α) 17,21-Dihydroxypregna-1,4-diene3,11,20-trione 17,21-Dihydroxypregn-4-ene-3,11,20trione o-Diiodobenzene m-Diiodobenzene p-Diiodobenzene cis-1,2-Diiodoethene trans-1,2-Diiodoethene Diiodomethane 3,5-Diiodo-L-tyrosine
C24H40O4
392.573
25 20 82 25 14 80 20
C21H26O5
358.428
25
0.012
0.12
40
C21H28O5
360.444
25
0.028
0.28
30
C6H4I2 C6H4I2 C6H4I2 C2H2I2 C2H2I2 CH2I2 C9H9I2NO3
329.905 329.905 329.905 279.846 279.846 267.836 432.981
25 25 25 25 25 30 25
0.00192 0.000185 0.000893 0.046 0.015 0.124 0.062
0.0192 0.00185 0.00893 0.46 0.15 1.24 0.62
2 2 2 25 25 10 26
0.0124 1.04 2.26 0.0000096 1.8 21.3 0.001
0.124 10.5 23 0.000096 18 — 0.01
Henry Const. kH kPa m3mol–1 Ref.
0.088
13
0.032
13
40 20 20 40 26 26 40
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
Diisopentyl ether Diisopropyl ether
Name
Mol. Form. C10H22O C6H14O
1,2-Dimethoxybenzene
C8H10O2
3,3′-Dimethoxybenzidine Dimethoxymethane 4-(Dimethylamino)azobenzene 2′,3-Dimethyl-4-aminoazobenzene 2,5-Dimethylaniline N,N-Dimethylaniline 9,10-Dimethylanthracene Dimethylarsinic acid 7,12-Dimethylbenz[a]anthracene 2,2-Dimethylbutane 2,3-Dimethylbutane 2,2-Dimethyl-1-butanol
C14H16N2O2 C3H8O2 C14H15N3 C14H15N3 C8H11N C8H11N C16H14 C2H7AsO2 C20H16 C6H14 C6H14 C6H14O
Mol. Wt t/°C 158.281 20 102.174 20 61 138.164 20 92 244.289 25 76.095 16 225.289 20 225.289 37 121.180 20 121.180 25 206.282 25 137.998 25 256.341 25 86.175 25 86.175 25
C6H14O C6H14O C6H12O
102.174 102.174 102.174 100.158
2,3-Dimethyl-1-butene cis-1,2-Dimethylcyclohexane trans-1,2-Dimethylcyclohexane
C6H12 C8H16 C8H16
84.159 112.213 112.213
Dimethyl ether Dimethylglyoxime 3,5-Dimethyl-4-heptanol 2,6-Dimethyl-4-heptanone
C2H6O C4H8N2O2 C9H20O C9H18O
46.068 116.119 144.254 142.238
1,2-Dimethyl-1H-imidazole Dimethyl maleate Dimethyl malonate
C5H8N2 C6H8O4 C5H8O4
96.131 144.126 132.116
1,3-Dimethylnaphthalene 1,4-Dimethylnaphthalene 1,5-Dimethylnaphthalene 2,3-Dimethylnaphthalene 2,6-Dimethylnaphthalene Dimethyl oxalate 2,2-Dimethylpentane 2,3-Dimethylpentane 2,4-Dimethylpentane 3,3-Dimethylpentane 2,3-Dimethyl-2-pentanol 2,4-Dimethyl-2-pentanol 2,2-Dimethyl-3-pentanol 2,3-Dimethyl-3-pentanol 2,4-Dimethyl-3-pentanol 2,4-Dimethyl-3-pentanone
C12H12 C12H12 C12H12 C12H12 C12H12 C4H6O4 C7H16 C7H16 C7H16 C7H16 C7H16O C7H16O C7H16O C7H16O C7H16O C7H14O
156.223 156.223 156.223 156.223 156.223 118.089 100.202 100.202 100.202 100.202 116.201 116.201 116.201 116.201 116.201 114.185
N,N-Dimethyl-N′-phenylurea Dimethyl phthalate 2,2-Dimethyl-1-propanol
C9H12N2O C10H10O4 C5H12O
164.203 194.184 88.148
2,3-Dimethyl-2-butanol 3,3-Dimethyl-2-butanol, (±)3,3-Dimethyl-2-butanone
25 25 25 19 90 30 25 30 100 24 20 15 21 91 19 25 19 90 25 25 25 25 25 20 25 25 25 25 25 25 25 25 25 20 90 25 25 25
8-97 Solubility, S
Mass% 0.02 0.79 0.22 0.716 1.073 0.006 24.4 0.00014 0.0007 0.66 0.111 0.0000056 ≈41 0.0000061 0.0021 0.0021 0.8 4.2 2.4 1.97 1.14 0.046 0.00060 0.00050 0.00293 35.3* 0.06 0.072 0.045 0.037 94.3 8.0 14.9 29.8 0.0008 0.00114 0.00031 0.00025 0.00017 5.82 0.00044 0.00052 0.00042 0.00059 1.5 1.3 0.82 1.6 0.70 0.52 0.30 0.32 0.40 3.5
g/L 0.2 12 2.2 7.21 10.9 0.06 — 0.0014 0.007 6.6 1.11 0.000056 684 0.000061 0.021 0.021 8 44 25 18.4 11.5 0.46 0.0060 0.0050 0.0293 — 0.6 0.72 0.43 0.37 — 87 ≈175 — 0.008 0.0114 0.0031 0.0025 0.0017 61.8 0.0044 0.0052 0.0042 0.0059 15 13 8.2 16 7.0 5.9 3.0 3.2 4.0 36
Henry Const. kH kPa m3mol–1 Ref.
Ref. 10 20 0.26 20 20 20 40 10 40 40 27 40 4,42 40 42 3 199 3 144 1 1 1 20 20 3 4 4,57 4,57 10 40 1 20 20 54 10 20 20 4 4 4 4 4 27 3 3 3 3 1 1 1 1 1 20 20 40 15 1
36 88.2
13
13 13
5 5
0.077
13
0.036
28
318 175 323 186
5 5 13 5
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
8-98
Name 4-(1,1-Dimethylpropyl)phenol Dimethyl succinate
Mol. Form. C11H16O C6H10O4
Dimethyl sulfate Dimethyl sulfide Dimethyl sulfoxide Dimethyl terephthalate Dimethyl tetrachloroterephthalate N,N-Dimethyl-N′-[3-(trifluoromethyl)phenyl]urea 2,4-Dinitroaniline 1,2-Dinitrobenzene 1,3-Dinitrobenzene 1,4-Dinitrobenzene 3,5-Dinitrobenzoic acid 2,4-Dinitrophenol
C2H6O4S C2H6S C2H6OS C10H10O4 C10H6Cl4O4 C10H11F3N2O
Mol. Wt t/°C 164.244 25 146.141 21 92 126.132 18 62.134 25 78.133 25 194.184 25 331.965 25 232.201 20
C6H5N3O4 C6H4N2O4 C6H4N2O4 C6H4N2O4 C7H4N2O6 C6H4N2O5
183.122 168.107 168.107 168.107 212.116 184.106
Diphenamid Diphenylamine
C16H17NO C12H11N
239.312 169.222
1,2-Diphenylethane Diphenyl ether Diphenylmethane Diphenyl phthalate 1,3-Diphenyl-1-triazene N,N′-Diphenylurea Dipropylamine Dipropyl ether Diuron Docosane Dodecane Dodecanedioic acid Dodecanoic acid 1-Dodecanol Droperidol Eicosane Emetine Endrin l-Ephedrine Epichlorohydrin
C14H14 C12H10O C13H12 C20H14O4 C12H11N3 C13H12N2O C6H15N C6H14O C9H10Cl2N2O C22H46 C12H26 C12H22O4 C12H24O2 C12H26O C22H22FN3O2 C20H42 C29H40N2O4 C12H8Cl6O C10H15NO C3H5ClO
182.261 170.206 168.234 318.323 197.235 212.246 101.190 102.174 233.093 310.600 170.334 230.301 200.318 186.333 379.427 282.547 480.639 380.909 165.232 92.524
Epinephrine 1,2-Epoxy-4-(epoxyethyl)cyclohexane 2,3-Epoxy-α-pinane Erythromycin
C9H13NO3 C8H12O2 C10H16O C37H67NO13
183.204 140.180 152.233 733.927
Estra-1,3,5(10)-triene-3,17-diol (17β) Estrone Ethane 1,2-Ethanediol, diacetate Ethinylestradiol Ethoxybenzene 2-Ethoxyethyl acetate N-(4-Ethoxyphenyl)acetamide
C18H24O2 C18H22O2 C2H6 C6H10O4 C20H24O2 C8H10O C6H12O3 C10H13NO2
272.383 270.367 30.069 146.141 296.404 122.164 132.157 179.216
25 20 20 20 25 25 35 27 20 50 25 25 25 24 20 20 20 25 25 22 25 20 20 25 30 25 15 25 25 20 65 20 20 25 30 80 25 25 25 25 25 25 25
Solubility, S Mass% 0.017 12.4 17.1 2.7 2 25.3 0.00328 0.00005 0.0105
g/L 0.17 ≈140 ≈205 28 20 — 0.0328 0.0005 0.105
0.0078 0.21 2.09 1.30 0.134 0.069 0.098 0.026 0.0055 0.0058 0.00044 0.00180 0.00014 0.000008 0.050 0.015 2.5 0.49 0.0042 0.0000006 0.00000037 0.004 0.0055 0.0004 0.00041 0.00000019 0.096 0.000026 0.57 6.58 7.2 0.018 13.4 0.039 0.12 0.04 0.000151 0.000130 0.00568* 13.3 0.000921 0.12 14 0.0502
0.078 2.1 21.3 13.1 1.34 0.69 0.98 0.26 0.055 0.058 0.0044 0.0180 0.0014 0.00008 0.50 0.15 26 4.9 0.042 0.000006 0.0000037 0.04 0.055 0.004 0.0041 0.0000019 0.96 0.00026 5.69 70.4 77.9 0.18 155 0.39 1.2 0.4 0.00151 0.00130 0.0568* 153 0.00921 1.2 ≈165 0.502
Ref. 40 20 20 27 10 10 40 40 40
Henry Const. kH kPa m3mol–1 Ref.
40 27 27 27 27 48,51 48,51 32 40 40 6 0.017 6 0.027 4,42 0.001 40 40 40 10 10 0.26 40 37 4 750 40 26 1 40 4,42 40 40 40 10 0.003 40 40 40 52 40 40 49 49 18 50.6 40 49 10 30 40
12 13 12
13
5
13
5
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
Ethyl acetate Ethyl acetoacetate Ethyl acrylate Ethylbenzene
Name
Mol. Form. C4H8O2 C6H10O3 C5H8O2 C8H10
Ethyl benzoate Ethyl butanoate 2-Ethyl-1-butanol Ethyl carbamate Ethyl cyanoacetate Ethylcyclohexane
C9H10O2 C6H12O2 C6H14O C3H7NO2 C5H7NO2 C8H16
Ethylcyclopentane Ethyl decanoate Ethylene Ethyleneimine
C7H14 C12H24O2 C2H4 C2H5N
Ethyl formate Ethyl heptanoate Ethyl hexanoate 2-Ethyl-1-hexanol 2-Ethylhexylamine Ethyl 4-hydroxybenzoate Ethyl 2-methylbutanoate, (+)
Mol. Wt t/°C 88.106 25 130.141 25 100.117 25 106.165 0 25 40 150.174 25 116.158 20 102.174 25 89.094 15 113.116 20 112.213 30 100 98.186 20 200.318 20 28.053 25
C3H6O2 C9H18O2 C8H16O2 C8H18O C8H19N C9H10O3 C7H14O2
43.068 74.079 158.238 144.212 130.228 129.244 166.173 130.185
Ethyl 3-methylbutanoate Ethyl N-methylcarbamate 1-Ethylnaphthalene 2-Ethylnaphthalene O-Ethyl O-p-nitrophenyl benzenethiophosphonate N-Ethyl-N-nitrosourea Ethyl nonanoate Ethyl octanoate Ethyl pentanoate 3-Ethyl-3-pentanol 4-Ethylphenol Ethyl propanoate Ethyl N-propylcarbamate 2-Ethyltoluene 4-Ethyltoluene Ethyl vinyl ether Etoposide Eucalyptol
C7H14O2 C4H9NO2 C12H12 C12H12 C14H14NO4PS
130.185 103.120 156.223 156.223 323.304
C3H7N3O2 C11H22O2 C10H20O2 C7H14O2 C7H16O C8H10O C5H10O2 C6H13NO2 C9H12 C9H12 C4H8O C29H32O13 C10H18O
117.107 186.292 172.265 130.185 116.201 122.164 102.132 131.173 120.191 120.191 72.106 588.556 154.249
Fenamiphos Fenbutatin oxide α-Fenchol, (+)Fenoxycarb Ferbam Fluoranthene
C13H22NO3PS C60H78OSn2 C10H18O C17H19NO4 C9H18FeN3S6 C16H10
303.358 1052.68 154.249 301.338 416.494 202.250
9H-Fluorene
C13H10
166.218
20 25 20 20 25 20 25 19 91 20 15 25 25 22 20 20 20 25 25 20 20 15 25 25 20 20 21 50 20 23 25 20 20 20 25 0 25 50
8-99 Solubility, S
Mass% 8.08 12 1.50 0.020 0.0161 0.0200 0.083 0.49 1.0 48 25.9 0.00061 0.00212 0.012 0.0015 0.01336*
g/L 87.9 ≈135 15.2 0.20 0.161 0.200 0.83 4.9 10 — — 0.0061 0.0212 0.12 0.015 0.1336*
0.90 11.8 0.029 0.063 0.01 0.25 0.0080 0.257 0.151 0.2 69 0.00101 0.00080 0.00031
9.12 ≈135 0.29 0.63 0.1 2.5 0.080 2.58 1.51 2 — 0.0101 0.0080 0.0031
1.3 0.003 0.007 0.3 1.7 0.59 1.92 7.70 0.0093 0.0094 0.9 0.02 0.379 0.170 0.0329 0.0000005 0.083 0.0006 0.013 0.000017 0.000021 0.00007 0.00019 0.00063
13 0.03 0.07 3 17 5.9 19.6 83.4 0.093 0.094 9 0.2 3.79 1.70 0.329 0.000005 0.83 0.006 0.13 0.00017 0.00021 0.0007 0.0019 0.0063
Ref. 10 10 10 4 22 4 20 10 1 27 10 4,57 4,57 3 27 19 40 10 27 27 1 10 40 20 20 10 27 4 4 40 40 27 27 27 1 40 10 27 5 5 10 40 40 40 40 32 52 32 40 42, 22,42 4,42 22,42 4,42
Henry Const. kH kPa m3mol–1 Ref.
0.843
21.7
22
5
0.039 0.078
12 12
0.529 0.500
13 13
0.00096
22
0.00787
22
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
8-100
Fluorescein Fluorobenzene
Name
Mol. Form. C20H12O5 C6H5F
2-Fluorobenzoic acid 3-Fluorobenzoic acid 4-Fluorobenzoic acid Fluoroethane Fluoromethane
C7H5FO2 C7H5FO2 C7H5FO2 C2H5F CH3F
1-Fluoropropane 2-Fluoropropane 5-Fluorouracil Folic acid
C3H7F C3H7F C4H3FN2O2 C19H19N7O6
Folpet β-D-Fructose
C9H4Cl3NO2S C6H12O6
Mol. Wt t/°C 332.306 20 96.102 19 80 140.112 25 140.112 25 140.112 25 48.059 25 34.033 0 25 80 62.086 14 62.086 15 130.077 22 441.397 0 100 296.558 20
C4H4O C5H4O3
180.155 68.074 112.084
Furfural Galactaric acid D-Galactose D-Glucitol α-D-Glucose
C5H4O2 C6H10O8 C6H12O6 C6H14O6 C6H12O6
96.085 210.138 180.155 182.171 180.155
DL-Glutamic acid L-Glutamic acid L-Glutamine Glycerol triacetate Glycine Glycolic acid
C5H9NO4 C5H9NO4 C5H10N2O3 C9H14O6 C2H5NO2 C2H4O3
147.130 147.130 146.144 218.203 75.067 76.051
N-Glycylglycine Glyphosate Guanidinoacetic acid Guanine Guanosine Haloperidol Heptachlor 2,2′,3,3′,4,4′,6-Heptachlorobiphenyl Heptadecanoic acid 1,6-Heptadiyne Heptanal Heptane
C4H8N2O3 C3H8NO5P C3H7N3O2 C5H5N5O C10H13N5O5 C21H23ClFNO2 C10H5Cl7 C12H3Cl7 C17H34O2 C7H8 C7H14O C7H16
132.118 169.074 117.107 151.127 283.241 375.865 373.318 395.323 270.451 92.139 114.185 100.202
Heptanedioic acid
C7H12O4
160.168
Heptanoic acid 1-Heptanol
C7H14O2 C7H16O
130.185 116.201
Furan 2-Furancarboxylic acid
20 25 25 50 20 14 20 20 15 30 80 25 25 25 25 25 25 55 25 25 25 25 25 30 25 25 20 25 11 25 50 75 100 25 50 15 10 25
Solubility, S Mass% 0.005 0.170 0.188 0.72 0.15 0.12 0.216* 0.420* 0.201* 0.082* 0.386* 0.366* 1.10 0.001 0.05 0.00010 ≈31 1 4.758 25.16 8.2 0.33 40.6 ≈41 45.0 54.6 81.5 2.30 0.85 4.0 5.8 19.3 71.21 77.95 18.8 1.2 0.5 0.0068 0.0500 0.0003 0.0000056 0.0000002 0.00042 0.125 0.124 0.000242 0.000341 0.000570 0.001078 6.347 42.80 0.24 0.25 0.174
g/L 0.05 1.70 1.88 7.2 1.5 1.2 2.16* 4.20* 2.01* 0.82* 3.86* 3.66* 11.1 0.01 0.5 0.0010 444 10 50.0 — 89 3.3 — 689 — — — 23.5 8.5 42 62 206 — — 201 12 5 0.068 0.500 0.003 0.000056 0.000002 0.0042 1.25 1.24 0.00242 0.00341 0.00570 0.01078 67.77 — 2.4 2.5 1.74
Ref. 27 20 20 27 27 27 14 50 50 50 14 14 40 26 26 40
Henry Const. kH kPa m3mol–1 Ref. 0.70 0.70
40 10 0.54 33 33 10 40 27 40 27 27 27 29 26 26 10 47,62 34 34 29,47 32 26 29 29 40 40 7 0.0054 26 3 27 46 46 209 46 46 33 33 27 1 1 0.00562
11 11
13
7
13
28
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
Name
Mol. Form.
Mol. Wt
8-101 Solubility, S
t/°C 50 30 25 25 25 90 20 90 20 90 25 25 20 80 25 25 35 55
Mass% 0.12 0.33 0.43 0.47 0.435 0.353 0.479 0.309 0.457 0.316 0.032 0.015 0.028 0.020 0.0094 0.00000096 0.0000018 0.0000038
g/L 1.2 3.3 4.3 4.7 4.3 3.53 4.8 3.1 4.57 3.16 0.32 0.15 0.28 0.20 0.094 0.0000096 0.000018 0.000038
Ref.
1 1 1 1 20 20 20 20 20 20 3 3 20 20 3 58 58 58
2-Heptanol, (±)3-Heptanol, (S)4-Heptanol 2-Heptanone
C7H16O C7H16O C7H16O C7H14O
116.201 116.201 116.201 114.185
3-Heptanone
C7H14O
114.185
4-Heptanone
C7H14O
114.185
1-Heptene trans-2-Heptene Heptyl butanoate
C7H14 C7H14 C11H22O2
98.186 98.186 186.292
1-Heptyne Hexachlorobenzene
C7H12 C6Cl6
96.170 284.782
2,2′,3,3′,4,4′-Hexachlorobiphenyl
C12H4Cl6 C12H4Cl6 C12H4Cl6 C4Cl6 C6H6Cl6
360.878 360.878 360.878 260.761 290.830
25 25 25 25 25
0.00000006 0.0000003 0.0000004 0.41 0.00078
0.0000006 0.000003 0.000004 4.1 0.0078
7 41 41 35 60
C6H6Cl6
290.830
45 25
0.0015 0.00018
0.015 0.0018
60 60 60
2,2′,4,4′,6,6′-Hexachlorobiphenyl 2,2′,3,3′,6,6′-Hexachlorobiphenyl Hexachloro-1,3-butadiene 1,2,3,4,5,6-Hexachlorocyclohexane, (1α,2α,3β,4α,5α,6β) 1,2,3,4,5,6-Hexachlorocyclohexane, (1α,2α,3β,4α,5β,6β) 1,2,3,4,5,6-Hexachlorocyclohexane, (1α,2β,3α,4β,5α,6β) Hexachloroethane Hexachloropropene Hexacosafluorododecane Hexacosane Hexadecane Hexadecanoic acid 1-Hexadecanol 1,5-Hexadiene Hexafluorobenzene
C6H6Cl6
290.830
25
0.00002
0.0002
C2Cl6 C3Cl6 C12F26 C26H54 C16H34 C16H32O2 C16H34O C6H10 C6F6
236.739 248.750 638.086 366.707 226.441 256.424 242.440 82.143 186.054
Hexahydro-1,3,5-trinitro-1,3,5-triazine
C3H6N6O6
222.116
Hexamethylenetetramine Hexane
C6H12N4 C6H14
140.186 86.175
25 20 20 25 25 20 25 25 8 28 67 3 20 25 34 12 25 50 75 100 5 20 15 100 20 60
0.005 0.00118 0.00000096 0.00000017 0.0000004 0.00072 0.000003 0.017 0.0778 0.0616 0.0636 0.0014 0.0037 0.0060 0.0086 44.8 0.00098 0.00114 0.00167 0.00291 ≈42 0.80 1.48 61.5 0.96 1.16
0.05 0.0118 0.0000096 0.0000017 0.000004 0.0072 0.00003 0.17 0.778 0.616 0.636 0.014 0.037 0.060 0.086 — 0.0098 0.0114 0.0167 0.0291 711 8.0 15.0 — 9.6 11.7
1,6-Hexanediamine Hexanedinitrile 1,6-Hexanedioic acid
C6H16N2 C6H8N2 C6H10O4
116.204 108.141 146.141
Hexanoic acid
C6H12O2
116.158
Henry Const. kH kPa m3mol–1 Ref.
0.0171 0.0171
40.3 42.2
28 28
13 13
4.47 0.131
13 11
0.0354 0.818
31 7
25 0.85 35 35 37,42 37,42 26 1 3 53 53 53 59 59 17 59 27 46 46 46 183 46 40 16 26 26 26 26
13
13
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
8-102
1-Hexanol
Name
Mol. Form. C6H14O
2-Hexanol 3-Hexanol 2-Hexanone
C6H14O C6H14O C6H12O
Hexatriacontane Hexazinone 1-Hexene trans-2-Hexene 1-Hexen-3-ol 4-Hexen-2-ol Hexyl acetate sec-Hexyl acetate Hexylbenzene 4-Hexyl-1,3-benzenediol
C36H74 C12H20N4O2 C6H12 C6H12 C6H12O C6H12O C8H16O2 C8H16O2 C12H18 C12H18O2
Mol. Wt t/°C 102.174 0 25 50 102.174 25 102.174 25 100.158 20 81 506.973 25 252.313 25 84.159 25 84.159 25 100.158 25 100.158 25 144.212 20 144.212 20 162.271 25
Solubility, S Mass% 0.79 0.60 0.51 1.4 1.6 1.51 1.15 0.00000017 3.2 0.0053 0.0067 2.52 3.81 0.02 0.13 0.00021
C10H20O2 C6H10 C6H9N3O2 C8H16N2O4S2 C4H9NO3
194.270 172.265 82.143 155.154 268.354 119.119
18 29 25 25 25 25
0.05 0.021 0.036 4.17 0.02 52.4
Hydramethylnon Hydrochlorothiazide Hydrocortisone Hydroflumethiazide p-Hydroquinone 17-Hydroxyandrost-4-en-3-one, (17β) 4-Hydroxybenzaldehyde 2-Hydroxybenzamide
C25H24F6N4 C7H8ClN3O4S2 C21H30O5 C8H8F3N3O4S2 C6H6O2 C19H28O2 C7H6O2 C7H7NO2
494.476 297.740 362.460 331.293 110.111 288.424 122.122 137.137
α-Hydroxybenzeneacetic acid, (±)2-Hydroxybenzoic acid
C8H8O3 C7H6O3
152.148 138.121
4-Hydroxybenzoic acid
C7H6O3
138.121
2-Hydroxybiphenyl 4-Hydroxybiphenyl 4-Hydroxy-3-methoxybenzaldehyde 3-Hydroxy-4-oxo-4H-pyran-2,6dicarboxylic acid N-(4-Hydroxyphenyl)acetamide trans-4-Hydroxy-L-proline Hyoscyamine Hypoxanthine Ibuprofen
C12H10O C12H10O C8H8O3 C7H4O7
170.206 170.206 152.148 200.103
20 25 25 37 25 25 30 10 25 50 25 10 25 50 15 75 25 25 25 25
0.0000006 0.007 0.029 0.068 7.42 0.0024 1.27 0.122 0.241 0.737 11.3 0.119 0.189 0.521 0.8 2.5 0.07 0.0056 0.247 0.84
C8H9NO2 C5H9NO3 C17H23NO3 C5H4N4O C13H18O2
151.163 131.130 289.370 136.112 206.281
Imazaquin Imidazole 2,4-Imidazolidinedione
C17H17N3O3 C3H4N2 C3H4N2O2
311.335 68.077 100.076
25 25 20 25 25 60 20 19 25
1.3 26.5 0.36 0.070 0.0011 0.0048 0.009 67.3 3.93
Hexyl butanoate 1-Hexyne L-Histidine Homocystine L-Homoserine
g/L 7.9 6.0 5.1 14 16 17.8 11.6 0.0000017 33 0.053 0.067 25.9 39.6 0.2 1.3 0.0021 0.5 0.21 0.36 43.5 0.2 —
0.000006 0.07 0.29 0.68 80.1 0.024 12.9 1.22 2.42 7.42 ≈125 1.19 1.89 5.24 8 26 0.7 0.056 2.47 8.4 13 — 3.6 0.70 0.011 0.048 0.09 — 40.9
Ref.
1 1 1 1 1 20 20 37,42 40 3 3 1 1 10 10 4 40 20 3 26 26 26
32 40 40 40 27 40 40 44 44 44 27 33,43 33,43 33,43 26 27 40 40 8 27 40 26 40 29 40 40 32 54 29
Henry Const. kH kPa m3mol–1 Ref.
41.8
4.14
5
13
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
Name Imidodicarbonic diamide Iminodiacetic acid Indan 1H-Indazole Indeno[1,2,3-cd]pyrene 1H-Indole Indomethacin Inosine Iodobenzene
Mol. Form. C2H5N3O2 C4H7NO4 C9H10 C7H6N2 C22H12 C8H7N C19H16ClNO4 C10H12N4O5 C6H5I
Mol. Wt t/°C 103.080 15 133.104 5 118.175 25 118.136 20 276.330 20 117.149 20 357.788 25 268.226 20 204.008 10 25 45 248.018 25 248.018 25 248.018 25 184.018 17 155.965 0 25
2-Iodobenzoic acid 3-Iodobenzoic acid 4-Iodobenzoic acid 1-Iodobutane Iodoethane
C7H5IO2 C7H5IO2 C7H5IO2 C4H9I C2H5I
1-Iodoheptane Iodomethane 1-Iodopropane
C7H15I CH3I C3H7I
226.098 141.939 169.992
2-Iodopropane
C3H7I
169.992
trans-β-Ionone Iopanoic acid Iprodione Isobutanal Isobutane Isobutene Isobutyl acetate Isobutylbenzene Isobutyl formate Isobutyl isobutanoate Isobutyl propanoate
C13H20O C11H12I3NO2 C13H13Cl2N3O3 C4H8O C4H10 C4H8 C6H12O2 C10H14 C5H10O2 C8H16O2 C7H14O2
192.297 570.932 330.166 72.106 58.122 56.107 116.158 134.218 102.132 144.212 130.185
1H-Isoindole-1,3(2H)-dione L-Isoleucine Isoniazid Isopentane Isopentyl acetate Isopentyl formate Isophorone
C8H5NO2 C6H13NO2 C6H7N3O C5H12 C7H14O2 C6H12O2 C9H14O
147.132 131.173 137.139 72.149 130.185 116.158 138.206
Isophthalic acid
C8H6O4
166.132
Isopropenylbenzene Isopropyl acetate Isopropylbenzene 1-Isopropyl-2-methylbenzene 1-Isopropyl-3-methylbenzene 1-Isopropyl-4-methylbenzene Isopropyl phenylcarbamate Isoquinoline
C9H10 C5H10O2 C9H12 C10H14 C10H14 C10H14 C10H13NO2 C9H7N
118.175 102.132 120.191 134.218 134.218 134.218 179.216 129.159
25 20 0 20 0 20 25 37 20 20 25 25 20 25 22 20 19 91 25 25 25 25 20 22 20 80 25 50 80 20 20 25 25 25 25 20 20
8-103 Solubility, S
Mass% 1.5 2.32 0.010 0.0827 0.00000002 0.187 0.001 1.6 0.0193 0.0226 0.0279 0.095 0.016 0.0027 0.021 0.44 0.40 0.00035 1.4 0.114 0.100 0.167 0.140 0.017 0.034 0.0013 9.1 0.00535* 0.0263* 0.63 0.0010 1.0 0.5 0.225 0.142 0.036 3.31 11.0 0.00485 0.2 0.3 1.57 1.27 0.0154 0.0395 0.123 0.0116 2.9 0.0050 0.00482 0.00425 0.0051 0.01 0.452
g/L 15 23.7 0.10 0.827 0.0000002 1.87 0.01 16 0.193 0.226 0.279 0.95 0.16 0.027 0.21 4.4 4.0 0.0035 14 1.14 1.00 1.67 1.40 0.17 0.34 0.013 100 0.0535* 0.263* 6.3 0.010 10 5 2.26 1.42 0.36 34.2 123 0.0485 2 3 16.0 12.9 0.154 0.395 1.23 0.116 30 0.050 0.0482 0.0425 0.051 0.1 4.52
Ref. 40 40 4 6 40 6 40 29 2 2 2 27 27 27 10 25 25
Henry Const. kH kPa m3mol–1 Ref.
0.078
11
1.87
13
0.52
13
35 10 0.54 35 35 0.93 35 35 52 40 40 10 18 120 5 21.6 10 4 3.32 10 10 20 20 40 26 40 3 479 10 27 20 20 56 56 56 40 10 22 1.466 23 23 23 0.80 40 6
13 13
5 13 11
13
22
5
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
8-104
Mol. Wt t/°C 236.136 25 490.636 100 208.235 25 411.490 20 131.173 25 197.188 25 136.234 0 25 154.249 25 249.093 25 146.187 25 116.073 25 134.088 26 104.062 0 20 50
Name Isosorbide dinitrate Kepone L-Lanthionine Lasiocarpine L-Leucine Levodopa d-Limonene
Mol. Form. C6H8N2O8 C10Cl10O C6H12N2O4S C21H33NO7 C6H13NO2 C9H11NO4 C10H16
Linalol Linuron L-Lysine Maleic acid Malic acid Malonic acid
C10H18O C9H10Cl2N2O2 C6H14N2O2 C4H4O4 C4H6O5 C3H4O4
Malononitrile α-Maltose D-Mannitol Mefenamic acid Melphalan Mercury(II) phenyl acetate Mesityl oxide Methacrylic acid Methane Methazolamide Methazole Methidathion L-Methionine Methomyl Methoxsalen 2-Methoxyaniline 4-Methoxyaniline 4-Methoxybenzaldehyde 4-Methoxybenzoic acid Methoxychlor 2-Methoxy-2-methylbutane
C3H2N2 C12H22O11 C6H14O6 C15H15NO2 C13H18Cl2N2O2 C8H8HgO2 C6H10O C4H6O2 CH4 C5H8N4O3S2 C9H6Cl2N2O3 C6H11N2O4PS3 C5H11NO2S C5H10N2O2S C12H8O4 C7H9NO C7H9NO C8H8O2 C8H8O3 C16H15Cl3O2 C6H14O
66.061 342.296 182.171 241.286 305.200 336.74 98.142 86.090 16.043 236.273 261.061 302.330 149.212 162.210 216.190 123.152 123.152 136.149 152.148 345.648 102.174
4-Methoxyphenol Methyclothiazide Methyl acetate Methyl acrylate 2-Methylacrylonitrile 2-Methylaniline 4-Methylaniline N-Methylaniline 2-Methylanthracene
C7H8O2 C9H11Cl2N3O4S2 C3H6O2 C4H6O2 C4H5N C7H9N C7H9N C7H9N C15H12
124.138 360.237 74.079 86.090 67.090 107.153 107.153 107.153 192.256
9-Methylanthracene 9-Methylbenz[a]anthracene 10-Methylbenz[a]anthracene 2-Methylbenzenesulfonamide 3-Methylbenzenesulfonamide 4-Methylbenzenesulfonamide
C15H12 C19H14 C19H14 C7H9NO2S C7H9NO2S C7H9NO2S
192.256 242.314 242.314 171.217 171.217 171.217
20 20 25 20 30 20 20 20 25 15 24 20 25 25 30 25 20 25 25 25 20 79 20 20 20 25 20 20 21 25 6 25 25 27 25 25 25 25
Solubility, S Mass% 0.055 0.4 0.15 0.67 2.32 ≈0.5 0.001 0.0020 0.156 0.0075 0.58 44.1 59 37.9 42.4 48.1 10.6 51.9 17.7 0.0026 0.44 0.2 2.89 8.9 0.00227* 0.0472 0.00015 0.0187 5.3 5.5 0.0048 1.24 1.14 0.429 0.023 0.000005 1.10 0.36 2.51 0.005 24.5 4.94 2.57 1.66 7.35 0.56 0.0000007 0.0000021 0.000026 0.0000066 0.0000055 0.162 0.78 0.316
g/L 0.55 4 1.5 6.75 23.2 ≈5 0.0097 0.020 1.56 0.075 5.8 — — — — — 118 — ≈215 0.026 4.4 2 29.8 98 0.0227* 0.472 0.0015 0.187 56 58 0.048 12.6 11.5 4.29 0.23 0.00005 12.7 3.6 25.7 0.05 — 52.0 26.3 16.9 79.3 5.62 0.000007 0.00021 0.00026 0.000066 0.000055 1.62 7.8 3.16
Ref. 40 40 26 40 62 26 4 52 52 40 26 26 26 26 26 26 40 27 27 40 40 30 10 10 18 40 40 40 26 40 40 40 40 40 27 40 20 20 40 40 10 10 10 10 10 40 42 22,42 4,42 4,42 4,42 27 27 27
Henry Const. kH kPa m3mol–1 Ref.
67.4
5
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
Name 2-Methyl-1H-benzimidazole Methyl benzoate 2-Methyl-1,3-butadiene
Mol. Form. C8H8N2 C8H8O2 C5H8
Methyl butanoate 3-Methylbutanoic acid 2-Methyl-1-butanol, (±)3-Methyl-1-butanol 2-Methyl-2-butanol 3-Methyl-2-butanol, (±)3-Methyl-2-butanone
C5H10O2 C5H10O2 C5H12O C5H12O C5H12O C5H12O C5H10O
3-Methyl-1-butene 2-Methyl-2-butene Methyl tert-butyl ether
C5H10 C5H10 C5H12O
Methyl carbamate
C2H5NO2
Mol. Wt t/°C 132.163 20 136.149 20 68.118 25 50 102.132 102.132 20 88.148 25 88.148 25 88.148 25 88.148 25 86.132 18 80 70.133 25 70.133 25 88.148 0 20 49
C19H14 C7H14
75.067 242.314 98.186
2-Methylcyclohexanone, (±)-
C7H12O
112.169
4-Methylcyclohexanone
C7H12O
112.169
1-Methylcyclohexene Methylcyclopentane 1-Methyl-2,4-dinitrobenzene
C7H12 C6H12 C7H6N2O4
96.170 84.159 182.134
2-Methyl-4,6-dinitrophenol Methyl formate 3-Methylheptane, (S)2-Methyl-2-heptanol 5-Methyl-3-heptanone
C7H6N2O5 C2H4O2 C8H18 C8H18O C8H16O
198.133 60.052 114.229 130.228 128.212
2-Methylhexane 3-Methylhexane 2-Methyl-2-hexanol 5-Methyl-2-hexanol 3-Methyl-3-hexanol 5-Methyl-2-hexanone
C7H16 C7H16 C7H16O C7H16O C7H16O C7H14O
100.202 100.202 116.201 116.201 116.201 114.185
5-Methyl-3-hexanone
C7H14O
114.185
Methyl 4-hydroxybenzoate 2-Methyl-1H-imidazole 3-Methyl-1H-indole 3-Methylisoquinoline Methyl isothiocyanate Methylmalonic acid
C8H8O3 C4H6N2 C9H9N C10H9N C2H3NS C4H6O4
152.148 82.104 131.174 143.185 73.117 118.089
Methyl methacrylate
C5H8O2
100.117
5-Methylchrysene Methylcyclohexane
15 27 26 100 20 90 20 80 25 25 12 32 62 25 25 30 20 90 25 25 25 25 25 19 90 20 81 25 18 20 20 20 0 20 20
8-105 Solubility, S
Mass% 0.145 0.21 0.061 0.076* 1.6 4.0 3.0 2.7 11.0 5.6 6.7 3.9 0.013* 0.041 8.3 4.2 1.9
g/L 1.45 2.1 0.61 0.76* 16 42 31 28 ≈120 59 72 41 0.13* 0.41 37.6 44 19
69 0.0000062 0.00151 0.00548 1.98 1.54 2.43 1.95 0.0052 0.0043 0.0130 0.0270 0.0983 0.0130 23 0.000079 0.25 0.192 0.131 0.00025 0.00026 1.0 0.49 1.2 0.537 0.417 0.47 0.32 0.24 23.2 0.050 0.092 0.75 30.1 40 1.56
— 0.000062 0.0151 0.019 20.2 15.6 25 19.9 0.052 0.043 0.130 0.270 0.984 0.130 — 0.00079 2.5 1.92 1.31 0.0025 0.0026 10 4.9 12 5.40 4.19 4.7 3.2 2.4 ≈300 0.50 0.92 7.6 — — 15.9
Ref.
6 10 3 3 30 26 3 1 1 1 20 20 3 3 20 20 20
Henry Const. kH kPa m3mol–1 Ref.
7.78
54.7 0.070
27 4,42 3 43.3 3 20 20 20 20 3 3 36.7 55 55 55 40 10 4 376 1 20 20 3 346 3 249 1 1 1 20 20 20 20 40 54 6 6 40 26 26 10
5
5 13
13
5
5
5 13
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
8-106
Name 2-Methyl-3-(2-methylphenyl)-4(3H)quinazolinone 1-Methylnaphthalene 2-Methylnaphthalene 2-Methyl-1,4-naphthalenedione N-Methyl-N-nitrosourea 4-Methyloctane Methyloxirane Methyl parathion
Mol. Form. C16H14N2O
Mol. Wt t/°C 250.294 23
C11H10 C11H10 C11H8O2 C2H5N3O2 C9H20 C3H6O C8H10NO5PS
142.197 142.197 172.181 103.080 128.255 58.079 263.208
2-Methylpentane 3-Methylpentane 2-Methyl-1-pentanol 4-Methyl-1-pentanol 2-Methyl-2-pentanol 3-Methyl-2-pentanol 4-Methyl-2-pentanol 2-Methyl-3-pentanol 3-Methyl-3-pentanol 4-Methyl-2-pentanone
C6H14 C6H14 C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H14O C6H12O
86.175 86.175 102.174 102.174 102.174 102.174 102.174 102.174 102.174 100.158
2-Methyl-1-pentene 4-Methyl-1-pentene 1-Methylphenanthrene
C6H12 C6H12 C15H12
84.159 84.159 192.256
Methylprednisolone Methyl propanoate 2-Methylpropanoic acid 2-Methyl-1-propanol
C22H30O5 C4H8O2 C4H8O2 C4H10O
374.470 88.106 88.106 74.121
Methyl propyl ether 2-Methyl-2-propyl-1,3-propanediol dicarbamate Methyl salicylate 17-Methyltestosterone 2-Methyltetrahydrofuran
C4H10O C9H18N2O4
74.121 218.250
C8H8O3 C20H30O2 C5H10O
152.148 302.451 86.132
N-Methyl-N,2,4,6-tetranitroaniline Methylthiouracil 1-Methyl-2,3,4-trinitrobenzene
C7H5N5O8 C5H6N2OS C7H5N3O6
287.144 142.179 227.131
Metronidazole Mirex Morphine β-Myrcene Naphthacene Naphthalene
C6H9N3O3 C10Cl12 C17H19NO3 C10H16 C18H12 C10H8
171.153 545.543 285.338 136.234 228.288 128.171
C12H10O2 C11H8O2
186.206 172.181
1-Naphthaleneacetic acid 1-Naphthalenecarboxylic acid
25 25 25 14 25 20 10 20 30 25 25 25 25 25 25 27 25 25 19 90 25 25 7 25 25
Solubility, S Mass% 0.03
0.3
g/L
20 0 25 50 25 25
0.00281 0.0025 0.016 2.3 0.0000115 40.5 0.00218 0.00380 0.0059 0.00137 0.00129 0.81 0.76 3.2 1.9 1.5 2.0 4.3 1.92 1.22 0.0078 0.0048 0.0000095 0.0000269 0.012 6 22.8 11.5 8.1 6.5 3.5 0.33
0.0281 0.025 0.16 24 0.000115 — 0.0218 0.0380 0.059 0.0137 0.0129 8.1 7.6 33 19 15 20 45 17 12.4 0.078 0.048 0.000095 0.000269 0.12 6 — ≈130 88 70 36 3.3
30 25 19 71 20 25 14 23 61 20 25 20 25 25 10 25 50 25 25
0.74 0.0033 14.4 6.0 0.0074 0.0533 0.0091 0.0116 0.0643 0.93 0.0000085 0.015 0.030 0.00000007 0.0019 0.00316 0.0082 0.0415 0.0058
7.4 0.033 ≈160 64 0.074 0.533 0.091 0.116 0.643 9.4 0.000085 0.15 0.30 0.0000007 0.019 0.0316 0.082 0.415 0.058
Ref. 40
Henry Const. kH kPa m3mol–1 Ref.
22 0.045 4 0.051 40 40 4 1000 10 0.0087 40 40 40 3 176 3 170 1 1 1 1 1 1 1 20 20 3 28.1 3 63.2 42 4,42 40 30 10 1 1 0.00273 1 30 40 10 40 20 20 40 40 55,59 55,59 55,59 40 40 27 52 4,42 4 22 4 40 27
22 12
5 13
13 13
5 5
28
0.67
13
0.000004
12
0.043
22
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
Name 1-Naphthalenylthiourea 1-Naphthol 2-Naphthol
Mol. Form. C11H10N2S C10H8O C10H8O
1-Naphthylamine 2-Naphthylamine Narceine Neopentane Nitrapyrin 2-Nitroaniline 3-Nitroaniline 4-Nitroaniline 2-Nitroanisole 4-Nitroanisole 3-Nitrobenzaldehyde 4-Nitrobenzaldehyde Nitrobenzene
C10H9N C10H9N C23H27NO8 C5H12 C6H3Cl4N C6H6N2O2 C6H6N2O2 C6H6N2O2 C7H7NO3 C7H7NO3 C7H5NO3 C7H5NO3 C6H5NO2
Mol. Wt t/°C 202.275 20 144.170 20 144.170 20 80 143.185 20 143.185 20 445.462 13 72.149 25 230.907 20 138.124 30 138.124 30 138.124 30 153.136 30 153.136 30 151.120 25 151.120 25
C7H5NO4 C7H5NO4 C7H5NO4 C2H5NO2
123.110 167.120 167.120 167.120 75.067
Nitrofen Nitrofurantoin Nitrofurazone Nitroguanidine Nitromethane
C12H7Cl2NO3 C8H6N4O5 C6H6N4O4 CH4N4O2 CH3NO2
284.095 238.158 198.137 104.069 61.041
1-Nitronaphthalene 2-Nitrophenol 3-Nitrophenol 4-Nitrophenol 1-Nitropropane
C10H7NO2 C6H5NO3 C6H5NO3 C6H5NO3 C3H7NO2
173.169 139.109 139.109 139.109 89.094
2-Nitropropane
C3H7NO2
89.094
N-Nitrosodiethylamine N-Nitrosodiphenylamine 2-Nitrotoluene 3-Nitrotoluene 4-Nitrotoluene 2,2′,3,3′,4,5,5′,6,6′-Nonachlorobiphenyl 1,8-Nonadiyne Nonane
C4H10N2O C12H10N2O C7H7NO2 C7H7NO2 C7H7NO2 C12HCl9 C9H12 C9H20
102.134 198.219 137.137 137.137 137.137 464.213 120.191 128.255
Nonanedioic acid
C9H16O4
188.221
Nonanoic acid 1-Nonanol 2-Nonanol, (±)3-Nonanol, (±)4-Nonanol 5-Nonanol
C9H18O2 C9H20O C9H20O C9H20O C9H20O C9H20O
158.238 144.254 144.254 144.254 144.254 144.254
2-Nitrobenzoic acid 3-Nitrobenzoic acid 4-Nitrobenzoic acid Nitroethane
25 25 25 25 25 50 22 30 20 25 0 25 50 18 25 20 20 25 90 25 90 24 25 30 30 30 25 25 25 50 25 65 20 25 15 15 15 15
8-107 Solubility, S
Mass% 0.06 0.111 0.064 0.67 0.17 0.0189 0.078 0.00332* 0.0040 1.47 0.121 0.073 0.169 0.059 0.16 0.23 0.21 0.55 0.256 0.0422 4.4 5.3 0.00095 0.011 0.0238 1.2 9.2 11.0 14.8 0.005 0.170 2.14 1.56 1.54 2.29 1.75 2.36 9.6 0.0035 0.065 0.050 0.044 0.0000000018 0.0125 0.000017 0.000022 0.1780 1.322 0.0284 0.014 0.026 0.032 0.0026 0.0032
g/L 0.6 1.11 0.64 6.7 1.7 0.189 0.78 0.0332* 0.040 14.9 1.21 0.73 1.69 0.59 1.6 2.3 2.1 5.58 2.56 0.422 46 56 0.0095 0.11 0.238 12 101 ≈125 ≈175 0.05 1.70 21.9 15.60 15.6 23 17.8 24 106 0.035 0.65 0.50 0.44 0.000000018 0.125 0.00017 0.00022 1.780 13.40 0.284 0.14 0.26 0.32 0.026 0.032
Henry Const. kH kPa m3mol–1 Ref.
Ref. 40 40 40 40 40 40 27 3 220 40 27 27 27 10 27 27 27
17 40 40 40 38 38 40 40 40 40 36 36 36 40 48,51 27 48,51 38 20 38 20 40 17 27 27 27 7 4 4 333 4 34 34 26 1 1 1 1 1
13
13
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
8-108
2-Nonanone
Name
Mol. Form. C9H18O
3-Nonanone
C9H18O
5-Nonanone
C9H18O
1-Nonene Nonyl formate
C9H18 C10H20O2
4-Nonylphenol 1-Nonyne Norethisterone Norflurazon L-Norleucine L-Norvaline Noscapine 2,2′,3,3′,5,5′,6,6′-Octachlorobiphenyl
C15H24O C9H16 C20H26O2 C12H9ClF3N3O C6H13NO2 C5H11NO2 C22H23NO7 C12H2Cl8
Mol. Wt t/°C 142.238 20 70 142.238 30 80 142.238 20 80 126.239 25 172.265 10 90 220.351 25 124.223 25 298.419 25 303.666 25 131.173 25 117.147 25 413.421 25
C5Cl8 C28H58 C18H38 C18H38O C8H18
429.768 343.678 394.761 254.495 270.494 114.229
Octanedioic acid
C8H14O4
174.195
Octanoic acid 1-Octanol 2-Octanol 2-Octanone
C8H16O2 C8H18O C8H18O C8H16O
144.212 130.228 130.228 128.212
3-Octanone
C8H16O
128.212
1-Octene Octyl acetate
C8H16 C10H20O2
112.213 172.265
1-Octyne Orotic acid Oryzalin Ouabain Oxalic acid
C8H14 C5H4N2O4 C12H18N4O6S C29H44O12 C2H2O4
110.197 156.097 346.359 584.652 90.035
Oxamyl 4-Oxopentanoic acid
C7H13N3O3S C5H8O3
219.261 116.116
4-Oxo-4H-pyran-2,6-dicarboxylic acid Papaverine Paraldehyde Parathion Pendimethalin Pentachlorobenzene 2,3,4,5,6-Pentachlorobiphenyl 2,2′,4,5,5′-Pentachlorobiphenyl
C7H4O6 C20H21NO4 C6H12O3 C10H14NO5PS C13H19N3O4 C6HCl5 C12H5Cl5 C12H5Cl5
184.103 339.386 132.157 291.261 281.308 250.337 326.433 326.433
Octachloro-1,3-pentadiene Octacosane Octadecane 1-Octadecanol Octane
25 20 22 25 34 25 50 75 100 25 50 25 25 25 25 91 20 91 25 19 92 25 18 25 25 20 80 25 10 25 25 37 25 20 20 25 25 25
Solubility, S Mass% 0.038 0.034 0.056 0.046 0.054 0.029 0.000112 0.012 0.039 0.000636 0.00072 0.00063 0.0028 1.5 9.7 0.03
g/L 0.38 0.34 0.56 0.46 0.54 0.29 0.00112 0.12 0.39 0.00636 0.0072 0.0063 0.028 15 107 0.3
0.00000015 0.000020 0.0000006 0.00000021 0.000011 0.000073 0.000102 0.000179 0.000377 0.2416 0.5570 0.080 0.054 0.4 0.113 0.094 0.137 0.106 0.00027 0.020 0.012 0.0024 0.18 0.00024 1.3 8.69 45.8 ≈21 63.6 83.97 1.45 0.0037 11 0.00129 0.00003 0.000050 0.0000008 0.000001
0.0000015 0.00020 0.000006 0.0000021 0.00011 0.00073 0.00102 0.00179 0.00377 2.416 5.570 0.80 0.54 4 1.13 0.94 1.37 1.06 0.0027 0.20 0.12 0.024 1.8 0.0024 13 95.1 — 280 — — 14.7 0.037 ≈125 0.0129 0.0003 0.00050 0.000008 0.00001
Ref. 20 20 20 20 20 20 40 20 20 40 4 40 40 26 26 40
Henry Const. kH kPa m3mol–1 Ref.
41 0.0381 35 37 37,42 1 46 311 47 46 46 34 34 26 1 1 10 20 20 20 4 96.3 20 20 4 7.87 26 40 40 27 27 40 34 34 27 40 30 40 40 41 0.085 7 7 0.0421
7
13
13
13
11 31
Aqueous Solubility and Henry’s Law Constants of Organic Compounds Mol. Wt t/°C 202.294 25 295.335 20 266.336 25 264.364 25 242.398 20 228.414 25 68.118 25 136.147 15 316.138 20 86.132 25 72.149 25 132.116 25 50 100.117 20 80 102.132 16
Name Pentachloroethane Pentachloronitrobenzene Pentachlorophenol 2,3,4,5,6-Pentachlorotoluene Pentadecanoic acid 1-Pentadecanol 1,4-Pentadiene Pentaerythritol Pentaerythritol tetranitrate Pentanal Pentane Pentanedioic acid
Mol. Form. C2HCl5 C6Cl5NO2 C6HCl5O C7H3Cl5 C15H30O2 C15H32O C5H8 C5H12O4 C5H8N4O12 C5H10O C5H12 C5H8O4
2,4-Pentanedione
C5H8O2
Pentanoic acid 1-Pentanol
C5H10O2 C5H12O
2-Pentanol 3-Pentanol 2-Pentanone
C5H12O C5H12O C5H10O
88.148 88.148 86.132
3-Pentanone
C5H10O
86.132
1-Pentene cis-2-Pentene Pentyl acetate sec-Pentyl acetate (S)Pentylbenzene Pentylcyclopentane Pentyl propanoate 1-Pentyne Perfluorocyclobutane
C5H10 C5H10 C7H14O2 C7H14O2 C11H16 C10H20 C8H16O2 C5H8 C4F8
70.133 70.133 130.185 130.185 148.245 140.266 144.212 68.118 200.030
Perfluorodecane Perfluoroheptane Perfluorohexane Perfluoro-2-methylpentane Perfluorooctane Perfluoropentane Perfluoropropane Perfluoropropene Permethrin Perylene Phenanthrene
C10F22 C7F16 C6F14 C6F14 C8F18 C5F12 C3F8 C3F6 C21H20Cl2O3 C20H12 C14H10
538.072 388.049 338.042 338.042 438.057 288.035 188.019 150.022 391.288 252.309 178.229
Phenmedipham Phenobarbital
C16H16N2O4 C12H12N2O3
Phenol
C6H6O
88.148
300.309 232.234 94.111
0 25 50 25 25 25 80 25 80 25 25 20 25 25 25 20 25 5 25 45 20 25 25 25 25 25 15 25 20 25 0 10 25 50 25 25 45 15
8-109 Solubility, S
Mass% 0.049 0.000044 0.0021 0.0000028 0.0012 0.000010 0.056 5.3 0.0002 1.2 0.0041 58.3 78.06 16.1 32.2 3.6 3.1 2.20 1.8 4.3 5.6 5.5 3.8 4.72 3.16 0.0148 0.0203 0.17 0.2 0.00105 0.0000115 0.1 0.157 0.00638* 0.00247* 0.00158* 0.000031 0.0000013 0.0000098 0.000017 0.00000017 0.00012 0.0015* 0.0194* 0.00002 0.00000004 0.000039 0.000047 0.00012 0.00042 0.00047 0.12 0.26 7.60
g/L 0.49 0.00044 0.021 0.000028 0.012 0.00010 0.56 56 0.002 12 0.041 — — ≈200 — 37 32 22.4 18 45 59 58 40 49.5 33 0.148 0.203 1.7 2 0.0105 0.000115 1 1.57 0.0638* 0.0247* 0.0158* 0.00031 0.000013 0.000098 0.00017 0.0000017 0.0012 0.015* 0.194* 0.0002 0.0000004 0.00039 0.00047 0.0012 0.0042 0.0047 1.2 2.6 76.04
Henry Const. kH kPa m3mol–1 Ref. 0.25 13
Ref. 25 40 24,48,51 61 26 1 3 12 30 40 40 3 128 33 33 20 20 26
1 1 1 21 21 20 0.00847 20 0.00847 20 20 3 40.3 3 22.8 10 27 5 1.69 4 185 27 3 2.5 50 50 50 35 35 35 35 35 35 14 14 32 4,42 0.000003 42 4,42 22,42 0.00324 4,42 32 40 40 48,51
5
13
28 28
5 5
11 5 5
12
22
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
8-110
Name
Mol. Form.
Mol. Wt
Phenolphthalein 10H-Phenothiazine 2-Phenoxyethanol Phenyl acetate
C20H14O4 C12H9NS C8H10O2 C8H8O2
318.323 199.271 138.164 136.149
DL-Phenylalanine L-Phenylalanine Phenylbutazone 1-Phenyl-1-propanone
C9H11NO2 C9H11NO2 C19H20N2O2 C9H10O
165.189 165.189 308.374 134.174
Phenylthiourea Phenytoin Phosalone Phosmet Phthalic acid
C7H8N2S C15H12N2O2 C12H15ClNO4PS2 C11H12NO4PS2 C8H6O4
152.217 252.268 367.808 317.321
Phthalic anhydride Picene α-Pinene, (-) β-Pinene, (1S)2,5-Piperazinedione 2-Pivaloyl-1,3-indandione Prednisolone Progesterone
C8H4O3 C22H14 C10H16 C10H16 C4H6N2O2 C14H14O3 C21H28O5 C21H30O2
148.116 278.346 136.234 136.234 114.103 230.259 360.444 314.462
L-Proline Prometone Prometryn Propachlor Propanal Propane Propanenitrile Propanil Propazine Propene 1-Propene-2,3-dicarboxylic acid trans-1-Propene-1,2,3-tricarboxylic acid
C5H9NO2 C10H19N5O C10H19N5S C11H14ClNO C3H6O C3H8 C3H5N C9H9Cl2NO C9H16ClN5 C3H6 C5H6O4 C6H6O6
115.131 225.291 241.357 211.688 58.079 44.096 55.079 218.079 229.710 42.080 130.100 174.108
Propoxur Propyl acetate Propylbenzene Propyl butanoate Propylcyclopentane Propyl formate Propyl 4-hydroxybenzoate Propyl propanoate Propyne Propyzamide Pyrene
C11H15NO3 C5H10O2 C9H12 C7H14O2 C8H16 C4H8O2 C10H12O3 C6H12O2 C3H4 C12H11Cl2NO C16H10
209.242 102.132 120.191 130.185 112.213 88.106 180.200 116.158 40.064 256.127 202.250
166.132
Solubility, S t/°C 25 35 20 25 20 20 91 25 25 25 19 80 25 37 20 25 25 65 27 27 25 25 25 25 25 25 41 25 20 20 20 25 25 25 20 20 25 20 25 90 20 20 25 17 25 22 25 25 25 25 0 15 25 50
Mass% 8.40 9.31 0.018 0.00016 2.53 0.59 0.91 1.40 2.71 0.0034 0.32 0.24 2.55 0.0038 0.00026 0.0025
g/L 84.05 93.10 0.18 0.0016 26.0 5.9 9.2 14.2 27.9 0.034 3.2 2.4 26.1 0.038 0.0026 0.025
Ref. 48,51 48,51 27 40 40 20 20 29 26 40 20 20 27 40 40 40
0.6977 3.575 0.62 0.00000025 0.00050 0.00110 1.64 0.0018 0.03 0.00088 0.00206 61.9 0.075 0.0048 0.07 30.6 0.00669* 10.3 0.013 0.00086 0.0200* 7.7 20.9 52.5 0.193 2.3 0.0052 0.162 0.00020 2.05 0.04 0.6 0.364* 0.0015 0.0000049 0.0000069 0.0000139 0.000053
6.977 37.08 6.20 0.0000025 0.0050 0.0110 16.6 0.018 0.3 0.0088 0.0206 — 0.75 0.048 0.7 — 0.0669* ≈115 0.13 0.0086 0.200* 83 — — 1.93 34 0.052 1.62 0.0020 20.9 0.4 6 3.64* 0.015 0.000049 0.000069 0.000139 0.00053
33 33 40 4,42 52 52 29 40 40 40 40 26 40 32 40 10 18 10 40 40 5 26 26 26 40 10 22 27 4 10 40 27 5 32 42 42 22,42 4,42
Henry Const. kH kPa m3mol–1 Ref.
71.6
5
21.3
5
1.041 90.2
1.11
0.00092
22 5
5
22
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
Name 3-Pyridinecarboxamide 3-Pyridinecarboxylic acid Pyrocatechol Pyrrole Quinic acid Quinidine Quinine Quinoline 8-Quinolinol Quinoxaline Raffinose Reserpine Resorcinol Riboflavin Ronnel Rotenone
Mol. Form. C6H6N2O C6H5NO2 C6H6O2 C4H5N C7H12O6 C20H24N2O2 C20H24N2O2 C9H7N C9H7NO C8H6N2 C18H32O16 C33H40N2O9 C6H6O2 C17H20N4O6 C8H8Cl3O3PS C23H22O6
Mol. Wt 122.124 123.110 110.111 67.090 192.166 324.417 324.417 129.159 145.158 130.147 504.437 608.679 110.111 376.364 321.546
C7H5NO3S
394.417 183.185
Salicylaldehyde Sarcosine L-Serine Shikimic acid Silvex Solanine L-Sorbose Stearic acid trans-Stilbene Streptozotocin Strychnine Styrene
C7H6O2 C3H7NO2 C3H7NO3 C7H10O5 C9H7Cl3O3 C45H73NO15 C6H12O6 C18H36O2 C14H12 C8H15N3O7 C21H22N2O2 C8H8
122.122 89.094 105.093 174.151 269.509 868.060 180.155 284.478 180.245 265.221 334.412 104.150
Succinamide Succinic acid
C4H8N2O2 C4H6O4
116.119 118.089
Succinonitrile Sucrose
C4H4N2 C12H22O11
80.088 342.296
Sulfamethazine Sulfamethoxazole Sulfathiazole Sulfisoxazole DL-Tartaric acid
C12H14N4O2S C10H11N3O3S C9H9N3O2S2 C11H13N3O3S C4H6O6
278.330 253.277 255.316 267.304 150.087
L-Tartaric acid
C4H6O6
150.087
Tebuthiuron Terbacil o-Terphenyl m-Terphenyl p-Terphenyl α-Terpineol
C9H16N4OS C9H13ClN2O2 C18H14 C18H14 C18H14 C10H18O
228.314 216.664 230.304 230.304 230.304 154.249
Saccharin
8-111 Solubility, S
t/°C 75 20 20 20 25 9 20 25 20 25 50 20 30 20 25 20
Mass% 0.000231 ≈33 1.8 31.1 4.5 29 0.020 0.057 0.633 0.065 54 12.5 0.0073 63.7 0.0075 0.00011
g/L 0.00231 500 18 — 47 — 0.20 0.57 6.33 0.65 — ≈145 0.073 — 0.075 0.0011
Ref. 42 40 40 27 10 26 27 27 6 40 6 27 40 27 40 40
25 25 100 86 25 25
0.000017 0.40 4.0 1.68 30.0 20 15 0.014 0.0026 ≈26 0.00029 0.000029 0.50 0.013 0.0321 0.046 18.4 7.71 55 11.5 67.1 72.3 83.0 0.053 0.0281 0.048 0.03 8.95 17.1 65 58 77 0.23 0.071 0.000124 0.000152 0.00000180 0.189
0.00017 4.0 42 17.0 — ≈200 ≈175 0.14 0.026 355 0.0029 0.00029 5.07 0.13 0.321 0.46 ≈225 83.5 — ≈130 — — — 0.53 0.281 0.48 0.3 98 ≈200 — — — 2.3 0.71 0.00124 0.00152 0.000018 1.89
40 27 27 10 26 26 26 40 40 40 26 4,42 40 27 22 4 27 27 27 10 27 27 27 40 40 40 40 26 26 26 26 26 40 40 40,42 40,42 40,42 52
25 15 17 20 25 25 20 25 50 50 25 100 25 20 50 100 20 25 20 37 0 20 100 20 100 20 25 25 25 25 25
Henry Const. kH kPa m3mol–1 Ref.
0.040
12
0.286 0.30
22 13
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
8-112
Name 1,2,4,5-Tetrabromobenzene 1,1,2,2-Tetrabromoethane
Mol. Form. C6H2Br4 C2H2Br4
Tetrabromomethane 1,2,3,4-Tetrachlorobenzene 1,2,3,5-Tetrachlorobenzene 1,2,4,5-Tetrachlorobenzene 3,4,5,6-Tetrachloro-1,2-benzenediol 2,2′,4′,5-Tetrachlorobiphenyl 2,3,4,5-Tetrachlorobiphenyl 2,3,5,6-Tetrachloro-2,5-cyclohexadiene1,4-dione 2,3,7,8-Tetrachlorodibenzo-p-dioxin 1,1,2,2-Tetrachloro-1,2-difluoroethane 1,1,1,2-Tetrachloroethane
CBr4 C6H2Cl4 C6H2Cl4 C6H2Cl4 C6H2Cl4O2 C12H6Cl4 C12H6Cl4 C6Cl4O2
Mol. Wt t/°C 393.696 25 345.653 0 25 50 100 331.627 30 215.892 25 215.892 25 215.892 25 247.891 25 291.988 25 291.988 25 245.875 20
C12H4Cl4O2 C2Cl4F2 C2H2Cl4
321.971 203.830 167.849
C2H2Cl4
167.849
C2Cl4
165.833
Tetrachloromethane
CCl4
153.823
2,3,4,6-Tetrachloro-5-methylphenol 2,3,4,6-Tetrachlorophenol 1,1,1,3-Tetrachloro-2,2,3,3tetrafluoropropane Tetracosane Tetradecane Tetradecanoic acid 1-Tetradecanol Tetraethylsilane Tetrafluoroethene
C7H4Cl4O C6H2Cl4O C3Cl4F4
245.918 231.891 253.838
C24H50 C14H30 C14H28O2 C14H30O C8H20Si C2F4
338.654 198.388 228.371 214.387 144.331 100.015
Tetrafluoromethane
CF4
Tetrahydro-2,5-dimethoxyfuran
C6H12O3
132.157
1,2,3,4-Tetrahydronaphthalene Tetrahydropyran
C10H12 C5H10O
132.202 86.132
1,2,4,5-Tetramethylbenzene N,N,N′,N′-Tetramethyl-4,4′diaminobenzophenone Tetramethylsilane Theophylline Thioacetamide Thiourea
C10H14 C17H20N2O
134.218 268.353
C4H12Si C7H8N4O2 C2H5NS CH4N2S
88.224 180.165 75.133 76.121
2-Thioxo-4-thiazolidinone
C3H3NOS2
133.192
1,1,2,2-Tetrachloroethane
Tetrachloroethene
88.005
22 27 0 25 50 5 25 50 0 20 80 25 75 25 25 21 22 25 20 25 25 25 70 0 25 50 21 90 20 20 81 25 20 25 20 25 20 80 25
Solubility, S Mass% 0.00000434 0.052 0.068 0.106 0.307 0.024 0.0007 0.00035 0.000060 0.071 0.0000016 0.000002 0.025 0.0000000019 0.016 0.120 0.107 0.123 0.302 0.283 0.318 0.0273 0.0286 0.0380 0.065 0.115 0.00061 0.017 0.0052 0.0000004 0.00000023 0.0020 0.000031 0.0000325 0.0158* 0.0090* 0.00390* 0.00185* 0.00134* 32 19 0.0045 8.57 4.29 0.000348 0.04 0.00196 0.52 12.3 10.6 ≈37 0.225
g/L 0.0000434 0.52 0.68 1.06 3.07 0.24 0.007 0.0035 0.00060 0.71 0.000016 0.00002 0.25 0.000000019 0.16 1.20 1.07 1.23 3.02 2.83 3.18 0.24 0.21 0.20 0.65 11.5 0.0061 0.17 0.052 0.000004 0.0000023 0.020 0.00031 0.000325 0.158* 0.090* 0.0390* 0.0185* 0.0134* — ≈235 0.045 87.1 45 0.00348 0.4 0.0196 5.2 140 ≈120 580 2.25
Ref.
2 25 25 25 25 14 41 41 41 8 9 7 40
40 25 25 25 25 25 25 25 20 20 20 20 20 2 24 35 37 5,42 26 1 10 19,50 50 50 19,50 50 20 20 40 20 20 4 40 10 29 40 40 40 40
Henry Const. kH kPa m3mol–1 Ref.
0.144 0.59 0.122
11 11 11
0.24
13
0.026
13
1.73
13
2.99 2.99
13 13
2.55
11
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
Thiram DL-Threonine
Name
Mol. Form. C6H12N2S4 C4H9NO3
Mol. Wt t/°C 240.432 20 119.119 10 20 40 119.119 10 20 40 242.228 25 126.114 25 150.217 311.400 30 270.347 25 212.290 25 92.139 25 45 90
L-Threonine
C4H9NO3
Thymidine Thymine Thymol Tolazamide Tolbutamide o-Tolidine Toluene
C10H14N2O5 C5H6N2O2 C10H14O C14H21N3O3S C12H18N2O3S C14H16N2 C7H8
p-Toluenesulfonic acid o-Toluic acid m-Toluic acid p-Toluic acid 1,3,5-Triazine-2,4,6-triamine
C7H8O3S C8H8O2 C8H8O2 C8H8O2 C3H6N6
172.202 136.149 136.149 136.149 126.120
1H-1,2,4-Triazol-3-amine 1,2,4-Tribromobenzene 1,3,5-Tribromobenzene 1,1,2-Tribromoethane Tribromofluoromethane Tribromomethane 2,4,6-Tribromophenol Tributylamine Tributyl phosphate Tributyrin Trichloroacetaldehyde Trichloroacetic acid 1,2,3-Trichlorobenzene 1,2,4-Trichlorobenzene
C2H4N4 C6H3Br3 C6H3Br3 C2H3Br3 CBr3F CHBr3 C6H3Br3O C12H27N C12H27O4P C15H26O6 C2HCl3O C2HCl3O2 C6H3Cl3 C6H3Cl3
84.080 314.800 314.800 266.757 270.721 252.731 330.799 185.349 266.313 302.363 147.387 163.387 181.447 181.447
C6H3Cl3 C6H3Cl3O2 C12H7Cl3 C12H7Cl3 C14H9Cl5
181.447 213.446 257.543 257.543 354.486
C8H7Cl3O C2H3Cl3
225.500 133.404
C2H3Cl3
133.404
C2HCl3
131.388
1,3,5-Trichlorobenzene 3,4,5-Trichloro-1,2-benzenediol 2,4,5-Trichlorobiphenyl 2,4,6-Trichlorobiphenyl 1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane 2,4,6-Trichloro-3,5-dimethylphenol 1,1,1-Trichloroethane
1,1,2-Trichloroethane
Trichloroethene
8-113 Solubility, S
Mass% 0.003 14.34 15.69 19.84 7.34 8.31 10.78 5.1 0.35 0.1 0.0065 0.011 0.13 0.0519 0.063 0.12
g/L 0.03 ≈165 ≈180 ≈240 79 90 119 54 3.5 1 0.065 0.11 1.3 0.519 0.63 1.2
40 25 25 25 20 95 23 25 25 20 25 25 15 25 25 20 25 25 25 15 25 45 25 25 25 25 25
≈33 0.118 0.098 0.345 0.323 4.2 22 0.0010 0.0000789 0.050 0.040 0.30 0.0007 0.0142 0.039 0.010 ≈39 92.3 0.0021 0.0029 0.0037 0.0047 0.0008 0.051 0.000014 0.00002 0.0000001
500 1.18 0.98 3.45 3.23 44 — 0.010 0.000789 0.50 0.40 3.0 0.007 0.142 0.39 0.10 650 — 0.021 0.029 0.037 0.047 0.008 0.51 0.00014 0.0002 0.000001
25 0 25 50 0 25 50 0 25 60
0.00050 0.134 0.129 0.138 0.425 0.459 0.536 0.145 0.128 0.133
0.0050 1.34 1.29 1.38 4.25 4.59 5.36 1.45 1.28 1.33
Ref. 40 45 45 45 45 45 45 29 29 30 40 40 40 22,61 61 22 40 27 27 27 40 40 26 2 2 25 14 5 2 40 10 40 40 27 41 61 41,61 61 41 8 7 7 40 2 25 25 25 25 25 25 25 25 25
Henry Const. kH kPa m3mol–1 Ref.
0.660
22
0.047
13
0.242
11
0.277
11
1.1
11
0.0379 0.0495
31 7
1.76
13
0.092
13
1.03
13
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
8-114
Name Trichlorofluoromethane Trichloromethane
Mol. Form. CCl3F CHCl3
1,2,4-Trichloro-5-methylbenzene (Trichloromethyl)benzene 2,4,6-Trichloro-3-methylphenol Trichloronitromethane
C7H5Cl3 C7H5Cl3 C7H5Cl3O CCl3NO2
1,1,1-Trichloro-2,2,3,3,3pentafluoropropane 2,4,5-Trichlorophenol 2,4,6-Trichlorophenol 2,4,5-Trichlorophenoxyacetic acid 1,2,3-Trichloropropane
C3Cl3F5
Mol. Wt t/°C 137.368 20 119.378 25 59 195.474 25 195.474 5 211.473 25 164.376 0 25 237.383 21
C6H3Cl3O C6H3Cl3O C8H5Cl3O3 C3H5Cl3
197.446 197.446 255.483 147.431
1,1,2-Trichloro-1,2,2-trifluoroethane Tri-p-cresyl phosphate Tridecane Tridecanoic acid Triethylamine Triethylamine hydrochloride Trifluoromethane 3,4,5-Trihydroxybenzoic acid
C2Cl3F3 C21H21O4P C13H28 C13H26O2 C6H15N C6H16ClN CHF3 C7H6O5
187.375 368.363 184.361 214.344 101.190 137.651 70.014 170.120
Triiodomethane Trimethoprim 1,2,3-Trimethylbenzene 1,2,4-Trimethylbenzene 1,3,5-Trimethylbenzene 2,3,3-Trimethyl-2-butanol 1,1,3-Trimethylcyclohexane 1,1,3-Trimethylcyclopentane 2,2,5-Trimethylhexane 1,4,5-Trimethylnaphthalene 2,6,8-Trimethyl-4-nonanone
CHI3 C14H18N4O3 C9H12 C9H12 C9H12 C7H16O C9H18 C8H16 C9H20 C13H14 C12H24O
393.732 290.318 120.191 120.191 120.191 116.201 126.239 112.213 128.255 170.250 184.318
2,2,4-Trimethylpentane 2,3,4-Trimethylpentane Trimethyl phosphate 1,3,5-Trinitrobenzene 2,4,6-Trinitrobenzoic acid Trinitroglycerol
C8H18 C8H18 C3H9O4P C6H3N3O6 C7H3N3O8 C3H5N3O9
114.229 114.229 140.074 213.104 257.114 227.087
2,4,6-Trinitrophenol
C6H3N3O7
229.104
2,4,6-Trinitrotoluene
C7H5N3O6
227.131
2,4,6-Trinitro-N-(2,4,6-trinitrophenyl)aniline 1,3,5-Trioxane Triphenylene Triphenyl phosphate Triphenyltin hydroxide Tris(hydroxymethyl)methylamine
C12H5N7O12
439.208
25 25 25 10 25 25 25 25 20 20 25 25 15 100 25 25 25 25 25 40 25 25 25 25 10 80 25 25 25 15 23 25 80 25 90 20 100 17
C3H6O3 C18H12 C18H15O4P C18H16OSn C4H11NO3
90.078 228.288 326.283 367.029 121.135
25 25 24 20 25
Solubility, S Mass% 0.11 0.80 0.79 0.00023 0.0053 0.0112 0.227 0.162 0.0058
g/L 1.1 8.0 7.9 0.0023 0.053 0.112 2.27 1.62 0.058
Ref.
0.1 0.069 0.028 0.14 0.20 0.017 0.00004 0.000000033 0.0033 5.5 57.8 0.15* 0.94 25.0 0.012 0.04 0.0070 0.0057 0.0050 2.2 0.000177 0.00037 0.00008 0.00021 0.012 0.014 0.00022 0.00018 ≈33 0.028 1.97 0.13 0.34 1.25 4.9 0.012 0.15 0.0060
1 0.692 0.28 1.4 2.0 0.17 0.0004 0.0000003 0.033 58 — 1.5* 9.4 — 0.12 0.4 0.070 0.057 0.050 22 0.00177 0.0037 0.0008 0.0021 0.12 0.14 0.0022 0.0018 500 0.28 20.1 1.3 3.4 12.7 51 0.12 1.5 0.060
2 24,48,51 40 35 35 25 40 37 26 10 27 14,50 27 27 14 40 22 22 22 1 4 4 4 4,42 20 20 4 4 40 40 40 40 40 40 40 40 40 40
17.4 0.0000043 0.000073 0.0001 ≈41
≈210 0.000043 0.00073 0.001 699
5 20 20 61 10 2 40 40 35
30 4,42 40 32 40
Henry Const. kH kPa m3mol–1 Ref. 10.2 13 0.43 13 0.43 13
0.038 32
13 13
0.343 0.569 0.781
22 22 22
105 159 246
13 5 13
307 206
13 13
0.00001
12
Aqueous Solubility and Henry’s Law Constants of Organic Compounds
L-Tryptophan DL-Tyrosine L-Tyrosine Undecane Uracil Urea
Name
Mol. Form. C11H12N2O2 C9H11NO3 C9H11NO3 C11H24 C4H4N2O2 CH4N2O
Mol. Wt t/°C 204.225 25 181.188 25 181.188 25 156.309 25 112.087 25 60.055 5 25 168.111 20 117.147 25 284.739 25 285.257 20 286.110 20 86.090 20 108.181 25 308.328 20 152.112 20
Uric acid L-Valine Valium Vidarabine Vinclozolin Vinyl acetate 4-Vinylcyclohexene Warfarin Xanthine o-Xylene
C5H4N4O3 C5H11NO2 C16H13ClN2O C10H15N5O5 C12H9Cl2NO3 C4H6O2 C8H12 C19H16O4 C5H4N4O2 C8H10
m-Xylene
C8H10
106.165
C8H10
106.165
C8H10O C8H10O C8H10O C8H10O C8H10O C8H10O C5H10O5 C6H12N2S4Zn
122.164 122.164 122.164 122.164 122.164 122.164 150.130 305.841
p-Xylene
2,3-Xylenol 2,4-Xylenol 2,5-Xylenol 2,6-Xylenol 3,4-Xylenol 3,5-Xylenol D-Xylose Ziram
106.165
25 45 0 25 40 0 25 40 25 25 25 25 25 29 25 20
8-115 Solubility, S
Mass% 1.30 0.35 0.0507 0.0000004 0.27 44 54.4 0.002 8.13 0.005 0.051 0.1 2.0 0.005 0.004 0.05 0.0171 0.021 0.0203 0.0161 0.022 0.0160 0.0181 0.022 0.457 0.787 0.354 0.60 0.477 0.62 ≈30 0.0065
* Indicates a value of S for a gas at a partial pressure of 101.325 kPa (1 atm) in equilibrium with the solution.
g/L 13.1 3.5 0.507 0.000004 2.7 — — 0.02 88.4 0.05 0.51 1 20 0.05 0.04 0.5 0.171 0.21 0.203 0.161 0.22 0.160 0.181 0.22 4.57 7.87 3.54 6.05 4.77 6.2 432 0.065
Ref. 26 30 62 37 29 26 26 26 26 40 40 32 10 4 40 26 22 4 4 22 4 4 22 4 40 10 40 40 40 10 40 40
Henry Const. kH kPa m3mol–1 Ref.
0.551
22
0.730
22
0.690
22
AQUEOUS SOLUBILITY OF INORGANIC COMPOUNDS AT VARIOUS TEMPERATURES The solubility of over 300 common inorganic compounds in water is tabulated here as a function of temperature. Solubility is defined as the concentration of the compound in a solution that is in equilibrium with a solid phase at the specified temperature. In this table the solid phase is generally the most stable crystalline phase at the temperature in question. An asterisk * on solubility values in adjacent columns indicates that the solid phase changes between those two temperatures (usually from one hydrated phase to another or from a hydrate to the anhydrous solid). In such cases the slope of the solubility vs. temperature curve may show a discontinuity. All solubility values are expressed as mass percent of solute, 100⋅w2, where w2 = m2/(m1 + m2) and m2 is the mass of solute and m1 the mass of water. This quantity is related to other common measures of solubility as follows: Molarity: c2 = 1000 ρw2/M2 Molality: m2 = 1000w2/M2(1-w2) Mole fraction: x2 = (w2/M2)/{(w2/M2) + (1-w2)/M1} Mass of solute per 100 g of H2O: r2 = 100w2/(1-w2) Here M2 is the molar mass of the solute and M1 = 18.015 g/mol is the molar mass of water. ρ is the density of the solution in g cm-3. The data in the table have been derived from the references indicated; in many cases the data have been refitted or interpolated in order to present solubility at rounded values of temperature. Where available, values were taken from the IUPAC Solubility Data Series (Reference 1) or the related papers in the Journal of Physical and Chemical Reference Data (References 2 to 5), which present carefully evaluated data.
Compound AgBrO3 AgClO2 AgClO3 AgClO4 AgNO2 AgNO3 Ag2SO4 AlCl3 Al(ClO4)3 AlF3 Al(NO3)3 Al2(SO4)3 As2O3 BaBr2 Ba(BrO3)2 Ba(C2H3O2)2 BaCl2 Ba(ClO2)2 Ba(ClO3)2 Ba(ClO4)2 BaF2 BaI2
0°C
10°C
20°C
0.17
0.31
0.47
81.6 0.155 55.9 0.56 30.84 54.9 0.25 37.0 27.5 1.19 47.6 0.285 37.0 23.30 30.5 16.90 67.30
83.0
84.2
62.3 0.67 30.91
67.8 0.78 31.03
0.34 38.2
0.44 39.9
1.48 48.5 0.442
1.80 49.5 0.656
24.88
26.33
21.23 70.96 0.158 64.7
23.66 74.30
62.5
67.3
25°C 0.193 0.55 15 84.8 0.413 70.1 0.83 31.10 0.50 40.8 27.8 2.01 50.0 0.788 44.2 27.03 31.3 27.50 75.75 0.161 68.8
30°C
40°C
The solubility of sparingly soluble compounds that do not appear in this table may be calculated from the data in the table “Solubility Product Constants”. Solubility of inorganic gases may be found in the table “Solubility of Selected Gases in Water”. Compounds are listed alphabetically by chemical formula in the most commonly used form (e.g., NaCl, NH4NO3, etc.).
References 1. Solubility Data Series, International Union of Pure and Applied Chemistry. Volumes 1 to 53 were published by Pergamon Press, Oxford, from 1979 to 1994; subsequent volumes were published by Oxford University Press, Oxford. The number following the colon is the volume number in the series. 2. Clever, H. L., and Johnston, F. J., J. Phys. Chem. Ref. Data, 9, 751, 1980. 3. Marcus, Y., J. Phys. Chem. Ref. Data, 9, 1307, 1980. 4. Clever, H. L., Johnson, S. A., and Derrick, M. E., J. Phys. Chem. Ref. Data, 14, 631, 1985. 5. Clever, H. L., Johnson, S. A., and Derrick, M. E., J. Phys. Chem. Ref. Data, 21, 941, 1992. 6. Söhnel, O., and Novotny, P., Densities of Aqueous Solutions of Inorganic Substances, Elsevier, Amsterdam, 1985. 7. Krumgalz, B.S., Mineral Solubility in Water at Various Temperatures, Israel Oceanographic and Limnological Research Ltd., Haifa, 1994. 8. Potter, R. W., and Clynne, M. A., J. Research U.S. Geological Survey, 6, 701, 1978; Clynne, M. A., and Potter, R. W., J. Chem. Eng. Data, 24, 338, 1979. 9. Marshal, W. L., and Slusher, R., J. Phys. Chem., 70, 4015, 1966; Knacke, O., and Gans, W., Zeit. Phys. Chem., NF, 104, 41, 1977. 10. Stephen, H., and Stephen, T., Solubilities of Inorganic and Organic Compounds, Vol. 1, Macmillan, New York, 1963.
50°C
60°C
70°C
80°C
0.64
0.82
1.02
1.22
1.44
1.66
90°C 1.32 1.88
100°C
85.3
86.3
86.9
87.5
87.9
88.3
88.6
88.8
72.3 0.88 31.18
76.1 0.97 31.37
79.2 1.05 31.60
81.7 1.13 31.87
83.8 1.20 32.17
85.4 1.26 32.51
87.8 1.39 33.32
0.56 42.0 28.2 2.27 50.4 0.935
0.68 44.5 29.2 2.86 51.4 1.30
0.81 47.3 30.7 3.43 52.5 1.74
0.96 50.4 32.6 4.11 53.5 2.27
1.11 53.8* 34.9 4.89 54.5 2.90
1.28
86.7 1.32 32.90 64.4 1.45
37.6 5.77 55.5 3.61
40.7 6.72 56.6 4.40
27.70
29.00
30.27
31.53
32.81
34.14
35.54
29.43 77.05
33.16 79.23
36.69 80.92
40.05 82.21
43.04 83.16
45.90 83.88
48.70 84.43
37.05 44.7 51.17 84.90
69.1
69.5
70.1
70.7
71.3
72.0
72.7
73.4
2.11
1.64 61.5* 44.2 7.71 57.6 5.25
Ref. 7 7 7 6 7 6 7 7 7 7 6 7 10 6 1:14 7 8 7 1:14 7 7 6
8-112
Section 8.indb 112
4/30/05 8:47:37 AM
Aqueous Solubility of Inorganic Compounds at Various Temperatures Compound Ba(IO3)2 Ba(NO2)2 Ba(NO3)2 Ba(OH)2 BaS Ba(SCN)2 BaSO3 BeCl2 Be(ClO4)2 BeSO4 CaBr2 CaCl2 Ca(ClO3)2 Ca(ClO4)2 CaF2 CaI2 Ca(IO3)2 Ca(NO2)2 Ca(NO3)2 CaSO3 CaSO4 CdBr2 CdC2O4 CdCl2 Cd(ClO4)2 CdF2 CdI2 Cd(IO3)2 Cd(NO3)2 CdSO4 CdSeO4 Ce(NO3)3 CoCl2 Co(ClO4)2 CoF2 CoI2 Co(NO2)2 Co(NO3)2 CoSO4 Co(SCN)2 CrO3 CsBr CsBrO3 CsCl CsClO3 CsClO4 CsI CsIO3 CsNO3 CsOH Cs2SO4 CuBr2 CuCl2 Cu(ClO4)2 CuF2 Cu(NO3)2 CuSO4 CuSeO4 Dy(NO3)3 Er(NO3)3 Eu(NO3)3
Section 8.indb 113
0°C 0.0182 31.1 4.7 1.67 2.79
10°C 0.0262 36.6 6.3
20°C 0.0342 41.8 8.2
4.78
6.97
26.69 55 36.70 63.2
27.58 56 39.19 64.2
28.61 59 42.13 65.5
0.0013 64.6 0.082 38.6 50.1
66.0 0.155 39.5 53.1
0.174 36.0
0.191 43.0
67.6 0.243 44.5 56.7 0.0059 0.202 49.9
47.2
50.1
53.2
44.1
5.82 44.9
4.65 45.8
55.4 43.1 42.04 57.99 30.30 50.0
57.1 43.1 40.59 59.80 32.60
59.6 43.2 39.02 61.89 34.87
58.00 0.076 45.5 19.9
61.78
65.35
47.0 23.0
49.4 26.1
62.2
62.3
62.6
1.16 61.83 2.40 0.79 30.9 1.08 8.46
1.93 63.48 3.87 1.01 37.2 1.58 13.0
3.01 64.96 5.94 1.51 43.2 2.21 18.6
62.6
63.4
64.1
40.8 54.3
41.7
42.6
45.2 12.4 10.6 58.79 61.58 55.2
49.8 14.4
56.3 16.7
59.99 63.15 56.7
61.49 64.84 58.5
40.5
25°C 0.0396 44.3 9.3 4.68 8.21 62.6 0.0011 41.7 59.5 29.22 61 44.83* 66.3 65.3 0.0016 68.3 0.305 48.6 59.0 0.0054 0.205 53.4 0.0060 54.6 58.7 4.18 46.3 0.091 61.0 43.4 38.18 63.05 35.99 53.0 1.4 66.99 0.49 50.8 27.7 50.7 62.8 55.2 3.69 65.64 7.22 1.96 45.9 2.59 21.8 64.5 55.8 43.1 0.075 59.2 18.0 16.0 62.35 65.75 59.4
8-113
30°C 0.045* 46.8 10.2 8.4 9.58
40°C 0.058* 51.6 12.4 19 12.67
50°C 0.073 56.2 14.7 33 16.18
60°C 0.090 60.5 17.0 52 20.05
70°C 0.109 64.6 19.3 74 24.19
80°C 0.131 68.5 21.5 100 28.55
90°C 0.156 72.1 23.5
100°C 0.182 75.6 25.5
33.04
37.61
29.90 63 49.12* 67.2
31.51 68 52.85* 69.0
33.39 71 56.05* 71.0
35.50 73 56.73 73.2
37.78
40.21
42.72
45.28
57.44 75.5*
58.21 77.4*
59.04 77.7
59.94 78.0
69.0 0.384*
70.8 0.517*
72.4 0.590
74.0 0.652
76.0 0.811*
78.0 0.665*
79.6 0.668
81.0
60.9 0.0049 0.208 56.4
65.4 0.0041 0.210 60.3*
77.8 0.0035 0.207 60.3*
78.1 0.0030 0.201 60.5
78.2 0.0026 0.193 60.7
78.3 0.0023 0.184 60.9
78.4 0.0020 0.173 61.3
78.5 0.0019 0.163 61.6
56.3*
57.3*
57.5
57.8
58.1
58.51
58.98
3.76 46.8
59.5 66.9
47.9
49.0
50.2
51.5
52.7
54.1
55.4
62.8 43.6 37.29 64.31* 37.10
66.5 44.1 35.35 67.0* 39.27
70.6 43.5 33.15 68.6 41.38
86.1 42.5 30.65 71.1* 43.46
86.5 41.4 27.84 74.9* 45.50
86.8 40.2 24.69 79.2 47.51
87.1 38.5 21.24 80.9 49.51
87.4 36.7 17.49 83.1 51.50
68.51
71.17
73.41
75.29
76.89
78.28
79.52
80.70
52.4 29.2
56.0 32.3
60.1 34.4
62.6 35.9
64.9 35.5
67.7 33.2
30.6
27.8
63.0
63.5
64.1
64.7
65.5
66.2
67.1
67.9
4.46 66.29 8.69 2.57 48.6 3.02 25.1 75 64.8
6.32 67.50 12.15 4.28 53.3 3.96 32.0
8.60 68.60 16.33 6.55 57.3 5.06 39.0
11.32 69.61 21.14 9.29 60.7 6.29 45.7
14.45 70.54 26.45 12.41 63.6 7.70 51.9
17.96 71.40 32.10 15.80 65.9 9.20 57.3
21.83 72.21 37.89 19.39 67.7 10.79 62.1
25.98 72.96 43.42 23.07 69.2 12.45 66.2
65.5
66.1
66.7
67.3
67.8
68.3
68.8
43.7 59.3
44.8
46.0
47.2
48.5
49.9
51.3
52.7
61.1 19.3
62.0 22.2
63.1 25.4
64.5 28.8
65.9 32.4
67.5 36.3
69.2 40.3
71.0 43.5
63.29 66.69 60.4
65.43 68.70 62.5
68.04 70.96 64.6
71.58 73.64
77.75
Ref. 1:14 10 6 7 7 7 1:26 7 7 7 10 8 1:14 7 10 7 1:14 7 6 1:26 9 6 5 6 7 5 6 5 6 6 5 1:13 7 7 7 7 7 6 6 7 6 7 1:30 1:47 1:30 7 6 1:30 6 7 6 7 6 7 7 6 6 7 1:13 1:13 1:13
4/30/05 8:47:38 AM
Aqueous Solubility of Inorganic Compounds at Various Temperatures
8-114 Compound FeBr2 FeCl2 FeCl3 Fe(ClO4)2 FeF3 Fe(NO3)3 Fe(NO3)2 FeSO4 Gd(NO3)3 HIO3 H3BO3 HgBr2 Hg(CN)2 HgCl2 HgI2 Hg(SCN)2 Hg2Cl2 Hg2(ClO4)2 Hg2SO4 Ho(NO3)3 KBF4 KBr KBrO3 KC2H3O2 KCl KClO3 KClO4 KF KHCO3 KHSO4 KH2PO4 KI KIO3 KIO4 KMnO4 KNO2 KNO3 KOH KSCN K2CO3 K2CrO4 K2Cr2O7 K2HAsO4 K2HPO4 K2MoO4 K2SO3 K2SO4 K2S2O3 K2S2O5 K2SeO3 K2SeO4 K3AsO4 K3Fe(CN)6 K3PO4 K4Fe(CN)6 LaCl3 La(NO3)3 LiBr LiBrO3 LiC2H3O2 LiCl
Section 8.indb 114
0°C 33.2* 42.7 63.39
10°C
20°C
44.9
47.9
40.15 41.44 13.5 56.3 73.45 2.61 0.26 6.57 4.24
17.0 57.7 74.10 3.57 0.37 7.83 5.05
20.8 59.2 74.98 4.77 0.52 9.33 6.17 0.0041
73.8 0.038
0.043
0.048
0.28 35.0 2.97 68.40 21.74 3.03 0.70 30.90 18.62 27.1 11.74 56.0 4.53 0.16 2.74 73.7 12.0 48.7 63.8 51.3 37.1 4.30 48.5* 57.0
0.34 37.3 4.48 70.29 23.61 4.67 1.10 39.8 21.73 29.7 14.91 57.6 5.96 0.22 4.12 74.6 17.6 50.8 66.4 51.7 38.1 7.12
0.45 39.4 6.42 72.09 25.39 6.74 1.67 47.3 24.92 32.3 18.25 59.0 7.57 0.37 5.96 75.3 24.2 53.2 69.1 52.3 38.9 10.9
59.1
61.5
51.30 7.11 49.0* 22.1 68.4* 52.70 51.5* 23.9 44.3 12.5 49.0 55.0 58.4 61.03 23.76 40.45
51.39 8.46
51.49 9.95
26.7
31.1
52.93
53.17
27.6
31.1
17.3 48.5 56.9 60.1 62.62 26.49 42.46*
22.0 48.6 58.9 62.7 64.44 29.42 45.29*
25°C 54.6 39.4* 47.7 67.76 5.59 46.57 46.67 22.8 60.1 75.48 5.48 0.61 10.2 6.81 0.0055 0.070 0.0004 79.8* 0.051 63.8 0.55 40.4 7.55 72.92 26.22 7.93 2.04 50.41 26.6 33.6 19.97 59.7 8.44 0.51 7.06 75.7 27.7 54.7 70.4 52.7 39.4 13.1 63.6* 62.7 64.7 51.55 10.7 62.3* 33.1 68.5* 53.30 55.6* 32.8 51.4 23.9 48.9 60.0 64.4 65.44 31.02 45.81
30°C
40°C
50°C
60°C
70°C
80°C
51.6
74.8
76.7
84.6
84.3
84.3
84.4
100°C 64.8* 48.7* 84.7
24.8 61.0 76.03 6.27 0.72 11.1 7.62 0.0072
28.8 62.9 77.20 8.10 0.96 13.1 9.53 0.0122
32.8 65.2 78.46 10.3 1.26 15.5 12.02 0.0199
35.5 67.9 79.78 12.9 1.63 18.2 15.18
33.6 71.5 81.13 15.9 2.08 21.2 19.16
30.4
27.1
24.0
82.48 19.3 2.61 24.6 24.06
83.82 23.1 3.23 28.3 29.90
85.14 27.3 3.95 32.3 36.62
0.054
0.059
0.065
0.070
0.076
0.082
0.088
85.3* 0.093
0.75 41.4 8.79 73.70 27.04 9.21 2.47 53.2 28.13 35.0 21.77 60.4 9.34 0.70 8.28 76.0 31.3 56.1 71.6 53.1 39.8 15.5
1.38 43.2 11.57 75.08 28.59 12.06 3.54
2.09 44.8 14.71 76.27 30.04 15.26 4.94
2.82 46.2 18.14 77.31 31.40 18.78 6.74
3.58 47.6 21.79 78.22 32.66 22.65 8.99
5.12 49.8 29.42 79.80 34.99 31.53 14.94
5.90 50.8 33.28 80.55 36.05 36.65 18.67
31.32 37.8 25.28 61.6 11.09 1.24 11.11 76.7 38.6 57.9 74.1 54.0 40.5 20.8
34.46 40.5 28.95 62.8 13.22 1.96 14.42 77.4 45.7 58.6 76.5 54.9 41.3 26.3
37.51 43.4 32.76 63.8 15.29 2.83 18.16 78.0 52.2 59.5 78.9 56.0 41.9 31.7
40.45 46.2 36.75 64.8 17.41 3.82
4.34 48.8 25.57 79.04 33.86 26.88 11.71 60.0 49.02 40.96 65.7 19.58 4.89
51.82 45.41 66.6 21.78 6.02
54.6 50.12 67.4 24.03 7.17
78.5 58.0 60.6 81.1 57.2 42.6 36.9
79.1 63.0 61.8 83.3 58.4 43.2 41.5
79.6 67.3 63.1 85.3 59.6 43.8 45.5
64.1
67.7*
80.1 70.8 64.6 87.3 61.0 44.3 48.9 79.8*
51.62 11.4
51.76 12.9
51.93 14.2
52.11 15.5
52.32 16.7
52.54 17.7
35.2
39.0
42.6
46.0
49.1
52.0
66.5 52.79 18.6 75.7* 54.6
53.43
53.70
53.99
54.30
54.61
54.94
55.26
34.3
37.2
39.6
41.7
43.5
45.0
46.1
25.6 49.3 61.1 65.9 66.51 32.72 46.25
29.2 50.5 63.6 67.8 68.90 36.48 47.30
32.5 52.1 66.3 68.3 71.68* 40.65 48.47
35.5 54.0 69.9* 69.0 73.24* 45.15 49.78
38.2 56.3 74.1* 69.8 74.43 49.93 51.27
40.6 58.9
41.4 61.7
43.1
70.7 75.66 54.91 52.98
71.7 76.93 60.04 54.98*
72.8 78.32 65.26 56.34*
72.7*
90°C
53.06 19.3
68.5* 55.60 73* 47.0
Ref. 7 7 6 7 7 7 7 6 1:13 1:30 6 4 6 4 4 4 3 7 4 1:13 10 6 1:30 7 1:47 1:30 6 7 6 6 1:31 6 1:30 7 6 6 6 6 6 6 6 6 7 1:31 7 1:26 6 7 1:26 7 7 7 6 7 6 6 1:13 6 1:30 7 1:47
4/30/05 8:47:40 AM
Aqueous Solubility of Inorganic Compounds at Various Temperatures Compound LiClO3 LiClO4 LiF LiH2PO4 LiI LiIO3 LiNO2 LiNO3 LiOH LiSCN Li2CO3 Li2C2O4 Li2HPO3 Li2SO4 Li3PO4 Lu(NO3)3 MgBr2 Mg(BrO3)2 Mg(C2H3O2)2 MgC2O4 MgCl2 Mg(ClO3)2 Mg(ClO4)2 MgCrO4 MgCr2O7 MgF2 MgI2 Mg(IO3)2 Mg(NO2)2 Mg(NO3)2 MgSO3 MgSO4 MgS2O3 MgSeO4 MnBr2 MnCl2 MnF2 Mn(IO3)2 Mn(NO3)2 MnSO4 NH4Br NH4Cl NH4ClO4 NH4F NH4HCO3 NH4H2AsO4 NH4H2PO4 NH4I NH4IO3 NH4NO2 NH4NO3 NH4SCN (NH4)2C2O4 (NH4)2HPO4 (NH4)2S2O5 (NH4)2S2O8 (NH4)2SO3 (NH4)2SO4 (NH4)2SeO3 (NH4)2SeO4 (NH4)3PO4
Section 8.indb 115
8-115
0°C 73.2 30.1 0.120 55.8 59.4
10°C 75.6* 32.6 0.126
20°C 80.8* 35.5 0.131
25°C 82.1 37.0 0.134
30°C 83.4 38.6
40°C 85.9* 41.9
50°C 87.1* 45.5
60°C 88.2 49.2
70°C 89.6 53.2
80°C 91.3 57.2
90°C 93.4 61.3
100°C 95.7 71.4
60.5
61.7
63.0
64.3
65.8
67.3
68.8
81.3
81.7
82.6
41 34.8 10.8
45 37.6 10.8
49 42.7 11.0
53 57.9 11.3
56 60.1 11.7
60 62.2 12.2
63 64.0 12.7
66 65.7 13.4
68 67.2 14.2
68.5 15.1
69.7 16.1
1.54
1.43
1.33
1.24
1.15
1.07
0.99
0.92
0.85
0.78
0.72
9.07 26.3
8.40 25.9
7.77 25.6
7.18 25.3
6.64 25.0
6.16 24.8
5.71 24.5
5.30 24.3
4.91 24.0
4.53 23.8
4.16 23.6
49.3 43.0 36.18
49.8 45.2 37.55
50.3 48.0 38.92
50.9 51.0
51.5 54.3
52.1 57.9
52.8 61.6
53.5 65.3
54.2 69.0*
55.0 70.9*
55.7 71.7
33.96 53.35 47.8 32.06*
34.85 54.40 48.7
35.58 56.81 49.6
36.20 60.91* 50.5
36.77 65.46* 51.3
37.34 67.33 52.1
37.97 69.27
38.71 71.01
39.62 72.44
40.75 73.48
42.15
54.7 3.19*
56.1 6.70*
58.2 7.92
38.4 0.32 18.2 30.7 31.4* 56.00 38.7 0.80*
39.5 0.37 21.7
40.8 0.46 25.1
57.72 40.6
59.39 42.5
62.3 43.8 51 50.5 11.1 54.5 1.28 5.87 7.47 25.5 0.027 71.1 50.6 49.4 39.61 0.038 35.90 58.66 50.1 35.39* 58.9 0.013 59.4 8.52 47 41.6 0.52 26.3 34.1 35.7* 60.19 43.6 1.01* 0.27 61.7 38.9 43.9 28.34 19.7 45.5 19.9 34.5 28.8 64.0 3.70 68.8 68.0 64.4 4.94 41.0 70.5 45.49 39.1 43.3 54.7 54.02 15.5
50.5 34.6 37.5 22.92 10.8 41.7 10.6 25.2 17.8 60.7
37.3 40.2 25.12 14.1 43.2 13.7 29.0 22.0 62.1
38.6 42.7 27.27 17.8 44.7 17.6 32.7 26.4 63.4
55.7 54.0
59.0 60.1
64.9 65.5
2.31 36.4 65.5 37.00 32.2 41.3 49.0
3.11 38.2 67.9 40.45 34.9 42.1 51.1
4.25 40.0 69.8 43.84 37.7 42.9 53.4
67.0 60.8 9.11
63.9 10.45
65.0 11.99
65.0 13.7
65.0 15.6
65.0 17.6
65.1 19.6
65.2
42.4 0.61 28.2
44.1 0.87* 30.9
45.9 0.85* 33.4
47.9 0.76 35.6
50.0 0.69 36.9
52.2 0.64 35.9
70.6 0.62 34.7
72.0 0.60 33.3
60.96 44.7
62.41 47.0
63.75 49.4
65.01 54.1
66.19 54.7
67.32 55.2
68.42 55.7
47* 69.50 56.1 0.48
0.34 38.9 45.1 29.39 21.7 46.3 22.4 36.3 31.2 64.6 4.20
37.7 47.3 31.46 25.8 47.8 27.9 39.7 36.2 65.8 5.64
36.3 49.4 33.50 29.8 49.3 34.2 43.1 41.6 66.8 7.63
34.6 51.3 35.49 33.6 50.9 41.4 46.2 47.2 67.8
32.8 53.0 37.46 37.3 52.5 49.3 49.3 53.0 68.7
30.8 54.6 39.40 40.7 54.1 58.1 52.2 59.2 69.6
28.8 56.1 41.33 43.8
26.7 57.4 43.24 46.6
67.6 55.0 65.7 70.4
78.0 72.4 71.1
70.3
74.3
77.7
80.8
85.8
88.2
90.3
5.73 42.0 71.3 47.11 40.6 43.8 56.0
7.56 44.1 72.3 50.25 43.7 44.7 58.9
9.73 46.2 72.9 53.28 47.0 45.6 62.0
12.2 48.5 73.1 56.23 50.6 46.6 65.4
83.4 81.1 15.1 50.9
18.3 53.3
21.8 55.9
25.7 58.6
59.13 54.5 47.5 69.1
62.00 58.9 48.5
49.5
50.5
Ref. 1:30 6 7 7 6 1:30 10 6 6 7 7 7 7 6 1:31 1:13 6 1:14 7 7 8 1:14 6 7 7 7 6 1:14 7 6 1:26 6 7 7 7 6 7 7 7 6 7 1:47 6 7 7 7 7 6 1:30 7 6 7 7 7 1:26 7 1:26 6 7 7 7
4/30/05 8:47:42 AM
Aqueous Solubility of Inorganic Compounds at Various Temperatures
8-116 Compound NaBr NaBrO3 NaCHO2 NaC2H3O2 NaCl NaClO NaClO2 NaClO3 NaClO4 NaF NaHCO3 NaHSO4 NaH2PO4 NaI NaIO3 NaIO4 NaNO2 NaNO3 NaOH NaSCN Na2B4O7 Na2CO3 Na2C2O4 Na2CrO4 Na2Cr2O7 Na2HAsO4 Na2HPO4 Na2MoO4 Na2S Na2SO3 Na2SO4 Na2S2O3 Na2S2O5 Na2SeO3 Na2SeO4 Na2WO4 Na3PO4 Na4P2O7 NdCl3 Nd(NO3)3 NiCl2 Ni(ClO4)2 NiF2 NiI2 Ni(NO3)2 NiSO4 Ni(SCN)2 NiSeO4 PbBr2 PbCl2 Pb(ClO4)2 PbF2 PbI2 Pb(IO3)2 Pb(NO3)2 PbSO4 PrCl3 Pr(NO3)3 RbBr RbBrO3 RbCl
Section 8.indb 116
0°C 44.4 20.0 30.8 26.5 26.28 22.7
10°C 45.9 23.22 37.9 28.8 26.32
20°C 47.7 26.65 45.7 31.8 26.41
44.27 61.9 3.52 6.48
46.67 64.1 3.72 7.59
49.3 66.2 3.89 8.73
36.54 61.2 2.43
41.07 62.4 4.40
46.00 63.9 7.78*
41.9 42.2 30
43.4 44.4 39 52.9 1.71 10.8 2.95 32.3 63.1
45.1 46.6 46 57.1 2.50 17.9 3.30 44.6 64.4
4.19 38.8 13.2 16.1 36.3 38.4
7.51 39.4 15.7 20.9 16.13 40.6 39.5
11.7 41.6 4.28 2.23 49.0 55.76 34.7 51.1
41.9 7.30 3.28 49.3 57.49 36.1
42.3 10.8 4.81 49.7 59.37 38.5
55.40 44.1 21.4
57.68 46.0 24.4
59.78 48.4 27.4
21.6 0.449 0.66
0.620 0.81
26.2* 0.841 0.98
0.041
0.0603 0.052
0.0649 0.067
28.46 0.0033 48.0 57.50 47.4 0.97 43.58
32.13 0.0038 48.1 59.20 50.1 1.55 45.65
35.67 0.0042 48.6 61.16 52.6 2.36 47.53
1.23 6.44 2.62 22.6 62.1 5.6* 1.66 30.6 11.1 12.0 33.1
25°C 48.6 28.28 48.7 33.5 26.45 44.4 97.0* 50.1 67.2 3.97 9.32 22.2 48.68 64.8 8.65* 12.62 45.9 47.7 50 60.2 3.07 23.5 3.48 46.7 65.2 29.3* 10.55 39.4 17.1 23.5 21.94 43.3 40.0 47.3* 36.9* 42.6 12.6 6.62 50.0 60.38 40.3 52.8 2.50 60.69 49.8 28.8 35.48 0.966 1.07 81.5 0.0670 0.076 0.0025 37.38 0.0044 49.0 62.24 53.8 2.87 48.42
30°C 49.6 29.86 50.6 35.5 26.52
40°C 51.6 32.83 52.0 39.9 26.67
50°C 53.7 35.55 53.5 45.1 26.84
60°C 54.1 38.05 55.0 58.3 27.03
70°C 54.3 40.37
80°C 54.5 42.52
90°C 54.7
100°C 54.9
59.3 27.25
60.5 27.50
61.7 27.78
62.9 28.05
51.2 68.3 4.05 9.91
53.6 70.4 4.20 11.13
55.5 72.5 4.34 12.40
95.3* 57.0 74.1 4.46 13.70
58.5 74.7 4.57 15.02
60.5 75.4 4.66 16.37
63.3 76.1 4.75 17.73
51.54 65.7 9.60
57.89* 67.7 11.67
61.7* 69.8 13.99
62.3* 72.0 16.52
65.9 74.7 19.25*
68.7 74.8 21.1*
67.1 76.7 4.82 19.10 33.3
74.9 22.9
75.1 24.7
46.8 48.8 53 62.7 3.82 28.7 3.65 46.9 66.1
48.7 51.0 58 63.5 6.02 32.8 4.00 48.9 68.0
50.7 53.2 63 64.2 9.7 32.2 4.36 51.0 70.1
52.8 55.3 67 65.0 14.9 31.7 4.71 53.4 72.3
55.0 57.5 71 65.9 17.1 31.3 5.06 55.3 74.6
57.2 59.6 74 66.9 19.9 31.1 5.41 55.5 77.0
59.5 61.7 76 67.9 23.5 30.9 5.75 55.8 79.6
16.34* 39.8 18.6 26.3* 29.22* 45.9 40.6
35.17* 40.3 22.1 27.3* 32.35* 52.0 41.8
44.64* 41.0 26.7 25.9 31.55 62.3 43.0
45.20 41.7 28.1 24.8 30.90 65.7 44.2
46.81 42.6 30.2 23.7 30.39 68.8 45.5
48.78 43.5 33.0 22.8 30.02 69.4 46.8
50.52 44.5 36.4 22.1 29.79 70.1 48.1
42.9 14.1 7.00 50.4 61.43 41.7
43.6 16.6 10.10 51.2 63.69 42.1
44.4 22.9 14.38 52.2 66.27 43.2
45.3 28.4 20.07 53.3 69.47 45.0
46.2 32.4 27.31 54.5
47.3 37.6 36.03 55.8
48.4 40.4 32.37 57.1
61.8 63.8 79 69.0 28.0 30.9 6.08 56.1 80.7 67* 51.53 45.5 41.0 21.5 29.67 71.0 49.5 45* 42.1* 49.5 43.5 30.67 58.5
46.1
46.2
46.4
46.6
61.50 51.3 30.3*
62.80 54.6 32.0*
63.73 58.3 34.1
64.38 61.0 35.8
64.80 63.1 37.7
65.09 65.6 39.9
2.52 65.30 67.9 42.3
69.0 44.8
1.118 1.17
1.46 1.39
1.89 1.64
1.93
2.24
2.60
0.0693 0.086
0.112
0.144
0.187
0.243
0.315
39.05 0.0047 49.5 63.40* 54.9 3.45 49.27
42.22 0.0052 50.8 65.7* 57.0 4.87 50.86
45.17 0.0058 52.3 67.8 58.8 6.64 52.34
47.90
50.42
52.72
54.1 70.2 60.6 8.78 53.67
56.1 73.4 62.1 11.29 54.92
58.3
45.6*
63.5 14.15 56.08
2.99
3.42
54.82
56.75
64.8 17.32 57.16
65.9 20.76 58.15
Ref. 6 1:30 6 6 1:47 7 7 1:30 6 6 7 10 1:31 6 1:30 7 6 6 10 6 6 6 6 6 6 7 1:31 6 6 1:26 8 6 1:26 7 7 6 6 6 6 1:13 6 7 7 7 6 6 7 7 2 2 7 2 2 7 2 2 6 1:13 6 1:30 1:47
4/30/05 8:47:43 AM
Aqueous Solubility of Inorganic Compounds at Various Temperatures Compound RbClO3 RbClO4 RbF RbHCO3 RbI RbIO3 RbNO3 RbOH Rb2CrO4 Rb2SO4 SbCl3 SbF3 Sc(NO3)3 Sm(NO3)3 SmCl3 SnCl2 SnI2 SrBr2 Sr(BrO3)2 SrCl2 Sr(ClO2)2 Sr(ClO3)2 Sr(ClO4)2 SrF2 SrI2 Sr(IO3)2 Sr(MnO4)2 Sr(NO2)2 Sr(NO3)2 Sr(OH)2 SrSO3 SrSO4 SrS2O3 Tb(NO3)3 Tl2SO4 Tm(NO3)3 UO2(NO3)2 Y(NO3)3 Yb(NO3)3 ZnBr2 ZnC2O4 ZnCl2 Zn(ClO4)2 ZnF2 ZnI2 Zn(IO3)2 Zn(NO3)2 ZnSO3 ZnSO4 ZnSeO4
Section 8.indb 117
0°C 2.10 1
10°C 3.38
20°C 5.14
55.8 1.09 16.4
58.6 1.53 25.0
75 53.7 61.1 2.07 34.6
30.0
32.5
59.3 56.33 48.0 64
61.6 58.08 48.2
38.27 27.3 85.7 79.4 57.0 54.83 46 46.0 18.53 31.94 13.0 63.29 70.04* 0.011 62.5 0.102 2.5
48.3 22.00 32.93 13.6 63.42
0.97 50.6 25.39 34.43 14.1 63.64
62.8 0.126
63.5 0.152
28.2 0.9
34.6
41.0
8.8
13.2
2.65
3.56
17.7 60.6 4.61
49.52 55.57
51.82 56.93
54.42 58.75
79.3
80.1 0.0010 76.6
81.8 0.0019 79.0
81.1
81.2
47.8
50.8
29.1 33.06
32.0 34.98
81.3 0.58 54.4 0.1786 35.0 37.38
44.29*
8-117
25°C 6.22 1.5
30°C 7.45
40°C 10.35
50°C 13.85
60°C 17.93
70°C 22.53
80°C 27.57
90°C 32.96
100°C 38.60 17
62.3 2.38 39.4
63.4 2.74 44.2 63.4
65.4 3.52 53.1
67.2 4.41 60.8
68.8 5.42 67.2
70.3 6.52 72.2
71.6 7.74 76.1
72.7 9.00 79.0
73.8 10.36 81.2
34.8
36.9
38.7
40.3
41.8
43.0
44.1
44.9
63.9 60.08 48.6
66.2 62.38 49.2
68.5 65.05* 50.0
68.1*
70.8
74.2
52.9 28.59 36.43 14.5 63.93
55.2 31.55 38.93 14.9 64.29 78.44*
57.6 34.21 41.94 15.3 64.70
59.9 36.57 45.44* 15.6 65.16
62.3 38.64* 46.81* 15.9 65.65
64.6 40.2* 47.69
66.8 40.8 48.70
3.87 69.0 41.0 49.87
66.18
66.74
67.31
64.5 0.179
65.8 0.206
67.3 0.233
69.0 0.259
70.8 0.284
72.7 0.307
74.7 0.328
79.2 0.346
41.9 47.0
44.3 47.4
47.9
48.4
48.9
49.5
50.1
58.6 50.7
22.2
26.8
5.80
7.09
8.46
9.89
11.33
12.77
14.18
15.53
57.55 61.11*
61.59 63.3*
67.07 64.9
67.9
72.5
84.1
85.6
85.8
86.1
86.3
86.6
86.8
87.1
81.4
81.8
82.4 48.70
83.0
83.7
84.4
85.2
86.0
81.5 0.69 58.5 0.1794 38.2 40.34
81.7 0.77 79.1 0.1803 41.3
82.0 0.82 80.1 0.1812 43.0
82.3
82.6
83.0
83.3
83.7
87.5
89.9
42.1
41.0
39.9
38.8
37.6
43.26 33.7 90.8 83.1 62.8 59.05 48.4
51.7 27.02 35.37 14.3 63.77 75.35* 0.021 63.9 0.165
44.5 2.2 0.0015 0.0135 20.0 61.02 5.19 67.9 55.85 59.86 70.5 83.0 0.0026 80.3 46.27* 1.53 81.4 0.64 54.6 0.1790 36.6 38.79
Ref. 1:30 7 7 7 6 1:30 6 7 7 6 7 7 1:13 1:13 6 7 7 6 1:14 8 7 1:14 7 7 6 1:14 7 7 6 7 1:26 7 7 1:13 6 1:13 1:55 1:13 1:13 6 5 6 7 5 6 5 6 5 6 5
4/30/05 8:47:44 AM
SOLUBILITY PRODUCT CONSTANTS The solubility product constant Ksp is a useful parameter for calculating the aqueous solubility of sparingly soluble compounds under various conditions. It may be determined by direct measurement or calculated from the standard Gibbs energies of formation ∆fG° of the species involved at their standard states. Thus if Ksp = [M+]m, [A–]n is the equilibrium constant for the reaction MmAn(s) mM+(aq) + nA– (aq), where MmAn is the slightly soluble substance and M+ and A- are the ions produced in solution by the dissociation of MmAn, then the Gibbs energy change is ∆G° = m ∆fG° (M+,aq) + n ∆fG° (A–,aq) –∆fG° (MmAn, s) The solubility product constant is calculated from the equation ln Ksp = –∆ G°/RT The first table below gives selected values of Ksp at 25°C. Many of these have been calculated from standard state thermodynamic data in References 1 and 2; other values are taken from publications of the IUPAC Solubility Data Project (References 3 to 7). The above formulation is not convenient for treating sulfides because the S -2 ion is usually not present in significant concentrations (see Reference 8). This is due to the hydrolysis reaction S -2 + H2O HS – + OH–
Compound Aluminum phosphate Barium bromate Barium carbonate Barium chromate Barium fluoride Barium hydroxide octahydrate Barium iodate Barium iodate monohydrate Barium molybdate Barium nitrate Barium selenate Barium sulfate Barium sulfite Beryllium hydroxide Bismuth arsenate Bismuth iodide Cadmium arsenate Cadmium carbonate Cadmium fluoride Cadmium hydroxide Cadmium iodate Cadmium oxalate trihydrate Cadmium phosphate Calcium carbonate (calcite) Calcium fluoride Calcium hydroxide
Formula AlPO4
Ksp 9.84 ⋅ 10–21
Ba(BrO3)2 BaCO3 BaCrO4 BaF2 Ba(OH)2 ⋅ 8H2O
2.43 ⋅ 10–4 2.58 ⋅ 10–9 1.17 ⋅ 10–10 1.84 ⋅ 10–7 2.55 ⋅ 10–4
Ba(IO3)2 Ba(IO3)2 ⋅ H2O BaMoO4 Ba(NO3)2 BaSeO4 BaSO4 BaSO3 Be(OH)2 BiAsO4 BiI3 Cd3(AsO4)2 CdCO3 CdF2 Cd(OH)2 Cd(IO3)2 CdC2O4 ⋅ 3H2O Cd3(PO4)2 CaCO3 CaF2 Ca(OH)2
4.01 ⋅ 10–9 1.67 ⋅ 10–9 3.54 ⋅ 10–8 4.64 ⋅ 10–3 3.40 ⋅ 10–8 1.08 ⋅ 10–10 5.0 ⋅ 10–10 6.92 ⋅ 10–22 4.43 ⋅ 10–10 7.71 ⋅ 10–19 2.2 ⋅ 10–33 1.0 ⋅ 10–12 6.44 ⋅ 10–3 7.2 ⋅ 10–15 2.5 ⋅ 10–8 1.42 ⋅ 10–8 2.53 ⋅ 10–33 3.36 ⋅ 10–9 3.45 ⋅ 10–11 5.02 ⋅ 10–6
which is strongly shifted to the right except in very basic solutions. Furthermore, the equilibrium constant for this reaction, which depends on the second ionization constant of H2S, is poorly known. Therefore it is more useful in the case of sulfides to define a different solubility product Kspa based on the reaction MmSn(s) + 2H+ mM+ + nH2S (aq) Values of Kspa , taken from Reference 8, are given for several sulfides in the auxiliary table following the main table. Additional discussion of sulfide equilibria may be found in References 7 and 9.
References 1. Wagman, D. D., Evans, W. H., Parker, V. B., Schumm, R. H., Halow, I., Bailey, S. M., Churney, K. L., and Nuttall, R. L., The NBS Tables of Chemical Thermodynamic Properties, J. Phys. Chem. Ref. Data, Vol. 11, Suppl. 2, 1982. 2. Garvin, D., Parker, V. B., and White, H. J., CODATA Thermodynamic Tables, Hemisphere, New York, 1987. 3. Solubility Data Series (53 Volumes), International Union of Pure and Applied Chemistry, Pergamon Press, Oxford, 1979–1992. 4. Clever, H. L., and Johnston, F. J., J. Phys. Chem. Ref. Data, 9, 751, 1980. 5. Marcus, Y., J. Phys. Chem. Ref. Data, 9, 1307, 1980. 6. Clever, H. L., Johnson, S. A., and Derrick, M. E., J. Phys. Chem. Ref. Data, 14, 631, 1985. 7. Clever, H. L., Johnson, S. A., and Derrick, M. E., J. Phys. Chem. Ref. Data, 21, 941, 1992. 8. Myers, R. J., J. Chem. Educ., 63, 687, 1986. 9. Licht, S., J. Electrochem. Soc., 135, 2971, 1988. Compound Calcium iodate Calcium iodate hexahydrate Calcium molybdate Calcium oxalate monohydrate Calcium phosphate Calcium sulfate Calcium sulfate dihydrate Calcium sulfite hemihydrate Cesium perchlorate Cesium periodate Cobalt(II) arsenate Cobalt(II) hydroxide (blue) Cobalt(II) iodate dihydrate Cobalt(II) phosphate Copper(I) bromide Copper(I) chloride Copper(I) cyanide Copper(I) iodide Copper(I) thiocyanate Copper(II) arsenate Copper(II) iodate monohydrate Copper(II) oxalate Copper(II) phosphate Europium(III) hydroxide Gallium(III) hydroxide Iron(II) carbonate
Formula Ca(IO3)2 Ca(IO3)2 ⋅ 6H2O CaMoO4 CaC2O4 ⋅ H2O Ca3(PO4)2 CaSO4 CaSO4 ⋅ 2H2O CaSO3 ⋅ 0.5H2O CsClO4 CsIO4 Co3(AsO4)2 Co(OH)2 Co(IO3)2 ⋅ 2H2O Co3(PO4)2 CuBr CuCl CuCN CuI CuSCN Cu3(AsO4)2 Cu(IO3)2 ⋅ H2O
Ksp 6.47 ⋅ 10–6 7.10 ⋅ 10–7 1.46 ⋅ 10–8 2.32 ⋅ 10–9 2.07 ⋅ 10–33 4.93 ⋅ 10–5 3.14 ⋅ 10–5 3.1 ⋅ 10–7 3.95 ⋅ 10–3 5.16 ⋅ 10–6 6.80 ⋅ 10–29 5.92 ⋅ 10–15 1.21 ⋅ 10–2 2.05 ⋅ 10–35 6.27 ⋅ 10–9 1.72 ⋅ 10–7 3.47 ⋅ 10–20 1.27 ⋅ 10–12 1.77 ⋅ 10–13 7.95 ⋅ 10–36 6.94 ⋅ 10–8
CuC2O4 Cu3(PO4)2 Eu(OH)3 Ga(OH)3 FeCO3
4.43 ⋅ 10–10 1.40 ⋅ 10–37 9.38 ⋅ 10–27 7.28 ⋅ 10–36 3.13 ⋅ 10–11
8-118
Section 8.indb 118
4/30/05 8:47:46 AM
Solubility Product Constants Compound Iron(II) fluoride Iron(II) hydroxide Iron(III) hydroxide Iron(III) phosphate dihydrate Lanthanum iodate Lead(II) bromide Lead(II) carbonate Lead(II) chloride Lead(II) fluoride Lead(II) hydroxide Lead(II) iodate Lead(II) iodide Lead(II) selenate Lead(II) sulfate Lithium carbonate Lithium fluoride Lithium phosphate Magnesium carbonate Magnesium carbonate trihydrate Magnesium carbonate pentahydrate Magnesium fluoride Magnesium hydroxide Magnesium oxalate dihydrate Magnesium phosphate Manganese(II) carbonate Manganese(II) iodate Manganese(II) oxalate dihydrate Mercury(I) bromide Mercury(I) carbonate Mercury(I) chloride Mercury(I) fluoride Mercury(I) iodide Mercury(I) oxalate Mercury(I) sulfate Mercury(I) thiocyanate Mercury(II) bromide Mercury(II) iodide Neodymium carbonate Nickel(II) carbonate Nickel(II) hydroxide Nickel(II) iodate Nickel(II) phosphate Palladium(II) thiocyanate Potassium hexachloroplatinate Potassium perchlorate Potassium periodate Praseodymium hydroxide
Section 8.indb 119
8-119
Formula FeF2 Fe(OH)2 Fe(OH)3 FePO4 ⋅ 2H2O La(IO3)3 PbBr2 PbCO3 PbCl2 PbF2 Pb(OH)2 Pb(IO3)2 PbI2 PbSeO4 PbSO4 Li2CO3 LiF Li3PO4 MgCO3 MgCO3 ⋅ 3H2O
Ksp 2.36 ⋅ 10–6 4.87 ⋅ 10–17 2.79 ⋅ 10–39 9.91 ⋅ 10–16 7.50 ⋅ 10–12 6.60 ⋅ 10–6 7.40 ⋅ 10–14 1.70 ⋅ 10–5 3.3 ⋅ 10–8 1.43 ⋅ 10–20 3.69 ⋅ 10–13 9.8 ⋅ 10–9 1.37 ⋅ 10–7 2.53 ⋅ 10–8 8.15 ⋅ 10–4 1.84 ⋅ 10–3 2.37 ⋅ 10–11 6.82 ⋅ 10–6 2.38 ⋅ 10–6
MgCO3 ⋅ 5H2O
3.79 ⋅ 10–6
MgF2 Mg(OH)2 MgC2O4 ⋅ 2H2O Mg3(PO4)2 MnCO3 Mn(IO3)2 MnC2O4 ⋅ 2H2O
5.16 ⋅ 10–11 5.61 ⋅ 10–12 4.83 ⋅ 10–6 1.04 ⋅ 10–24 2.24 ⋅ 10–11 4.37 ⋅ 10–7 1.70 ⋅ 10–7
Hg2Br2 Hg2CO3 Hg2Cl2 Hg2F2 Hg2I2 Hg2C2O4 Hg2SO4 Hg2(SCN)2 HgBr2 HgI2 Nd2(CO3)3 NiCO3 Ni(OH)2 Ni(IO3)2 Ni3(PO4)2 Pd(SCN)2 K2PtCl6
6.40 ⋅ 10–23 3.6 ⋅ 10–17 1.43 ⋅ 10–18 3.10 ⋅ 10–6 5.2 ⋅ 10–29 1.75 ⋅ 10–13 6.5 ⋅ 10–7 3.2 ⋅ 10–20 6.2 ⋅ 10–20 2.9 ⋅ 10–29 1.08 ⋅ 10–33 1.42 ⋅ 10–7 5.48 ⋅ 10–16 4.71 ⋅ 10–5 4.74 ⋅ 10–32 4.39 ⋅ 10–23 7.48 ⋅ 10–6
KClO4 KIO4 Pr(OH)3
1.05 ⋅ 10–2 3.71 ⋅ 10–4 3.39 ⋅ 10–24
Compound Radium iodate Radium sulfate Rubidium perchlorate Scandium fluoride Scandium hydroxide Silver(I) acetate Silver(I) arsenate Silver(I) bromate Silver(I) bromide Silver(I) carbonate Silver(I) chloride Silver(I) chromate Silver(I) cyanide Silver(I) iodate Silver(I) iodide Silver(I) oxalate Silver(I) phosphate Silver(I) sulfate Silver(I) sulfite Silver(I) thiocyanate Strontium arsenate Strontium carbonate Strontium fluoride Strontium iodate Strontium iodate monohydrate Strontium iodate hexahydrate Strontium sulfate Thallium(I) bromate Thallium(I) bromide Thallium(I) chloride Thallium(I) chromate Thallium(I) iodate Thallium(I) iodide Thallium(I) thiocyanate Thallium(III) hydroxide Tin(II) hydroxide Yttrium carbonate Yttrium fluoride Yttrium hydroxide Yttrium iodate Zinc arsenate Zinc carbonate Zinc carbonate monohydrate Zinc fluoride Zinc hydroxide Zinc iodate dihydrate Zinc oxalate dihydrate Zinc selenide Zinc selenite monohydrate
Formula Ra(IO3)2 RaSO4 RbClO4 ScF3 Sc(OH)3 AgCH3COO Ag3AsO4 AgBrO3 AgBr Ag2CO3 AgCl Ag2CrO4 AgCN AgIO3 AgI Ag2C2O4 Ag3PO4 Ag2SO4 Ag2SO3 AgSCN Sr3(AsO4)2 SrCO3 SrF2 Sr(IO3)2 Sr(IO3)2 ⋅ H2O
Ksp 1.16 ⋅ 10–9 3.66 ⋅ 10–11 3.00 ⋅ 10–3 5.81 ⋅ 10–24 2.22 ⋅ 10–31 1.94 ⋅ 10–3 1.03 ⋅ 10–22 5.38 ⋅ 10–5 5.35 ⋅ 10–13 8.46 ⋅ 10–12 1.77 ⋅ 10–10 1.12 ⋅ 10–12 5.97 ⋅ 10–17 3.17 ⋅ 10–8 8.52 ⋅ 10–17 5.40 ⋅ 10–12 8.89 ⋅ 10–17 1.20 ⋅ 10–5 1.50 ⋅ 10–14 1.03 ⋅ 10–12 4.29 ⋅ 10–19 5.60 ⋅ 10–10 4.33 ⋅ 10–9 1.14 ⋅ 10–7 3.77 ⋅ 10–7
Sr(IO3)2 ⋅ 6H2O SrSO4 TlBrO3 TlBr TlCl Tl2CrO4 TlIO3 TlI TlSCN Tl(OH)3 Sn(OH)2 Y2(CO3)3 YF3 Y(OH)3 Y(IO3)3 Zn3(AsO4)2 ZnCO3 ZnCO3 ⋅ H2O ZnF2 Zn(OH)2 Zn(IO3)2 ⋅ 2H2O ZnC2O4 ⋅ 2H2O ZnSe ZnSeO3 ⋅ H2O
4.55 ⋅ 10–7 3.44 ⋅ 10–7 1.10 ⋅ 10–4 3.71 ⋅ 10–6 1.86 ⋅ 10–4 8.67 ⋅ 10–13 3.12 ⋅ 10–6 5.54 ⋅ 10–8 1.57 ⋅ 10–4 1.68 ⋅ 10–44 5.45 ⋅ 10–27 1.03 ⋅ 10–31 8.62 ⋅ 10–21 1.00 ⋅ 10–22 1.12 ⋅ 10–10 2.8 ⋅ 10–28 1.46 ⋅ 10–10 5.42 ⋅ 10–11 3.04 ⋅ 10–2 3 ⋅ 10–17 4.1 ⋅ 10–6 1.38 ⋅ 10–9 3.6 ⋅ 10–26 1.59 ⋅ 10–7
4/30/05 8:47:47 AM
Solubility Product Constants
8-120 Sulfides Compound Cadmium sulfide Copper(II) sulfide Iron(II) sulfide Lead(II) sulfide Manganese(II) sulfide (green) Mercury(II) sulfide (red) Mercury(II) sulfide (black) Silver(I) sulfide Tin(II) sulfide Zinc sulfide (sphalerite) Zinc sulfide (wurtzite)
Section 8.indb 120
Formula CdS CuS FeS PbS MnS HgS HgS Ag2S SnS ZnS ZnS
Kspa 8 ⋅ 10–7 6 ⋅ 10–16 6 ⋅ 102 3 ⋅ 10–7 3 ⋅ 107 4 ⋅ 10–33 2 ⋅ 10–32 6 ⋅ 10–30 1 ⋅ 10–5 2 ⋅ 10–4 3 ⋅ 10–2
4/30/05 8:47:47 AM
SOLUBILITY CHART Abbreviations: W, soluble in water; A, insoluble in water but soluble in acids; w, sparingly soluble in water but soluble in acids; a, insoluble in water and only sparingly soluble in acids; I, insoluble No. 1
Acetate
5
—(C2H3O2) Arsenate —(AsO4) Arsenite —(AsO3) Benzoate —(C7H5O2) Bromide
6
Carbonate
7
Chlorate —(ClO3) Chloride
2 3 4
8 9 10 11 12 13 14 15
Chromate —(CrO4) Citrate —(C6H5O7) Cyanide Ferricy’de —(Fe(CN)6) Ferrocy’de —(Fe(CN)6) Fluoride
16
Formate —(CHO2) Hydroxide
17
Iodide
18
Nitrate
19
Oxalate —(C2O4) Oxide
20 21
Phosphate
22 23
Silicate, —(SiO3) Sulfate
24
Sulfide
25
Tartrate —(C4H4O6) Thiocy’te
26
Al W
NH4 W
Al(—)3 a Al(—)
NH4(—) W (NH4)3(—) W NH4AsO2 W NH4(—) W NH4Br W (NH4)2CO3 W NH4(—) W NH4Cl W (NH4)2(—) W (NH4)3(—) W NH4CN W (NH4)3(—) W (NH4)4(—) W NH4F W NH4(—) W NH4OH W NH4I W NH4NO3 W (NH4)2(—)
W AlBr2
W Al(—)3 W AlCl3
W Al(—)
w Al4(—)3 W AlF3 W Al(—)3 A Al(OH)3 W AlI3 W Al(NO3)3 A Al2(—)3 a Al2O3 A AlPO4 I Al2(—)3 W Al2(SO4)3 d Al2S3 w Al2(—)3
W NH4H2PO4
W (NH4)2SO4 W (NH4)2S W (NH4)2(—) W NH4CNS
Sb
A Sb(—) A Sb(—)
d SbBr3
W SbCl3
W SbF3
d SbI3
w Sb2O3
A Sb2(SO4)3 A Sb2S3 W Sb2(—)3
in water and acids; d, decomposes in water. * Indicates two modifications of the salt.
Ba W
Bi W
Cd W
Ca W
Cr W
Co W
Cu W
Ba(—)2 w Ba3(—)2
Bi(—)3 A Bi(—)
Cd(—)2 A Cd3(—)2
Cr(—)3
W Ba(—)2 W BaBr2 w BaCO3 W Ba(—)2 W BaCl2 A Ba(—) w Ba3(—)2 W Ba(CN)2 w Ba3(—)2 W Ba2(—) w BaF2 W Ba(—)2 W Ba(OH)2 W BaI2 W Ba(NO3)2 w Ba(—) W BaO A Ba3(PO4)2 W Ba(—) a BaSO4 d BaS w Ba(—) W Ba(CNS)2
A Bi(—)3 d BiBr3
W Cd(—)2 W CdBr2 A CdCO3 W Cd(—)2 W CdCl2 A Cd(—) A Cd3(—)2 W Cd(CN)2 A Cd3(—)2 A Cd2(—) W CdF2 W Cd(—)2 A Cd(OH)2 W CdI2 W Cd(NO3)2 w Cd(—) A CdO A Cd3(PO4)2 A Cd(—) W CdSO4 A CdS A Cd(—)
Ca(—)2 w Ca3(—)2 w Ca3(—)2 W Ca(—)2 W CaBr2 w CaCO3 W Ca(—)2 W CaCl2 W Ca(—) w Ca3(—)2 W Ca(CN)2 W Ca3(—)2 W Ca2(—) w CaF2 W Ca(—)2 W Ca(OH)2 W CaI2 W Ca(NO3)2 A Ca(—) w CaO w Ca3(PO4)2 w Ca(—) w CaSO4 w CaS w Ca(—) W Ca(CNS)
Co(—)2 A Co3(—)2 A Co3H6(—)4 W Co(—)2 W CoBr2 A CoCO3 W Co(—)2 W CoCl2 A Co(—) w Co3(—)2 A Co(CN)2 I Co3(—)2 I Co2(—) W CoF2 W Co(—)2 A Co(OH)2 W CoI2 W Co(NO3)2 A Co(—) A CoO A Co3(PO4)2 A Co2SiO4 W CoSO4 A CoS A Co(—) W Co(CNS)2
Cu(—)2 A Cu3(—)2 A CuH(—) w Cu(—)2 W CuBr2
W Bi(—)3 d BiCl3
A Bi(—) w Bi(CN)3
W BiF3 W Bi(—)3 A Bi(OH)3 A BiI3 d Bi(NO3)3 A Bi2(—)3 A Bi2O3 A BiPO4
d Bi2(SO4)3 A Bi2S3 A Bi2(—)3
W(I)* CrBr3 W CrCO3
I CrCl3
A Cr(CN)3
W(a)* CrF3
A Cr(OH)3 W CrI3 W Cr(NO3)3 W Cr(—) a Cr2O3 w Cr2(PO4)2
W(I)* Cr2(SO4)3 d Cr2S3 d
W Cu(—)2 W CuCl2
A Cu(CN)2 I Cu3(—)2 I Cu2(—) w CuF2 W Cu(—)2 A Cu(OH)2 a CuI W Cu(NO3)2 A Cu(—) A CuO A Cu3(PO4)2 A Cu(—) W CuSO4 A CuS A Cu(—) d CuCNS
Au (I) Au (II) W W
w AuBr
w AuCl
w AuCN
H W
Fe (II)
Fe (III)
C2H4O2 W H3AsO4
Fe(—)2 A Fe3(—)2
Fe2(—)6 A Fe(—)
W AuBr3
W C7H6O2 W HBr
A Fe2(—)6 W FeBr3
W AuCl3
W HClO3 W HCl
W Fe(—)2 W FeBr2 w FeCO3 W Fe(—)2 W FeCl2
W Au(CN)3
W AuOH a AuI
A Au(OH)3 a AuI3
Au2O
A Au2O3 H3PO4
I Au2S I
I Au2S3 I
W C6H8O7 W HCN W H3(—) W H4(—) W HF W CH2O2
W HI W HNO3 W C2H2O4 W H2O2 W Fe3(PO4)2 I H2SiO3 W H2SO4 W H2S W C4H6O6 W CNSH
a Fe(CN)2 I Fe3(—)2 I Fe2(—) w FeF2 W Fe(—)2 A Fe(OH)2 W FeI2 W Fe(NO3)2 A Fe(—) A FeO A FePO4
W FeSO4 A FeS A Fe(—) W Fe(CNS)2
W Fe(—)3 W FeCl3 A Fe2(—)3 W Fe(—)
a Fe4(—)3 w FeF3 W Fe(—)3 A Fe(OH)3 W FeI3 W Fe(NO)3 W Fe2(—)3 A Fe2O3 w
w Fe(SO4)3 d Fe2S3 d Fe2(—)3 W Fe(CNS)3
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Solubility Chart No. 1
5
Acetate —(C2H3O2) Arsenate —(AsO4) Arsenite —(AsO3) Benzoate —(C7H5O2) Bromide
6
Carbonate
7
Chlorate —(ClO3) Chloride
2 3 4
8 9 10 11 12 13 14 15
Chromate —(CrO4) Citrate —(C6H5O7) Cyanide Ferricy’de —Fe(CN)6 Ferrocy’de —Fe(CN)6 Fluoride
16
Formate —(CHO2) Hydroxide
17
Iodide
18
Nitrate
19 20
Oxalate —(C2O4) Oxide
21
Phosphate
22 23
Silicate —(SiO3) Sulfate
24
Sulfide
25
Tartrate —(C4H4O6) Thiocy’te
26
Section 8.indb 123
Pb W Pb(—)2 A PbH(—)
w Pb(—)2 W PbBr2 A PbCO3 W Pb(—)2 W PbCl2 A Pb(—) W Pb3(—)2 w Pb(CN)2 w Pb3(—)2 a Pb2(—) w PbF2 W Pb(—)2 w Pb(OH)2 w PbI2 W Pb(NO3)2 A Pb(—) w PbO A Pb3(PO4)2 A Pb(—) w PbSO4 A PbS A Pb(—) w Pb(CNS)2
8-123
Mg W Mg(—)2 A Mg3(—) W Mg3(—)2 W Mg(—)2 W MgBr2 w MgCO3 W Mg(—)2 W MgCl2 W Mg(—) W Mg3(—)2 W Mg(CN)2 W Mg3(—)2 W Mg2(—) w MgF2 W Mg(—)2 A Mg(OH)2 W MgI2 W Mg(NO3)2 w Mg(—) A MgO w Mg3(PO4)2 A Mg(—) W MgSO4 d MgS w Mg(—) W Mg(CNS)2
Mn W Mn(—)2 w MnH(—) A Mn3H6(—)4 W Mn(—)2 W MnBr2 w MnCO3 W Mn(—)2 W MnCl2
w MnH(—)
A Mn2(—) A MnF2 W Mn(—)2 A Mn(OH)2 W MnI2 W Mn(NO3)2 w Mn(—) A MnO w Mn3(PO4)2 I Mn(—) W MnSO4 A MnS w Mn(—) W Mn(CNS)2
Hg (I) w Hg(—) A Hg3(—) A Hg3(—) A Hg2(—)2 A HgBr A Hg2CO3 W Hg(—) a HgCl w Hg2(—) w Hg3(—) A HgCN
d HgF w Hg(—)
A HgI W HgNO3 a Hg2(—) A Hg2O A Hg3PO4
w Hg2SO4 I Hg2S I Hg2(—) A HgCNS
Hg (II) W Hg(—)2 w Hg3(—)2 A Hg3(—) w Hg(—)2 W HgBr2
W Hg(—)2 W HgCl2 w Hg(—)
W Hg(CN)2 A Hg3(—)2 I Hg2(—) d HgF2 W Hg(—)2 A Hg(OH)2 w HgI2 W Hg(NO3)2 A Hg(—) w HgO A Hg3(PO4)2
d HgSO4 I HgS I w Hg(CNS)2
Ni W Ni(—)2 A Ni3(—)2 A Ni3H6(—)4 w Ni(—)2 W NiBr2 w NiCO3 W Ni(—)2 W NiCl2 A Ni(—) W Ni3(—)2 a Ni(CN)2 I Ni3(—)2 I Ni2(—) w NiF2 W Ni(—)2 w Ni(OH)2 W NiI2 W Ni(NO3)2 A Ni(—) A NiO A Ni3(PO4)2
W NiSO4 A NiS A Ni(—)
K W K(—) W K3(—) W K3AsO3 W K(—) W KBr W K2CO3 W K(—) W KCl W K2(—) W K3(—) W KCN W K3(—) W K4(—) W KF W K(—) W KOH W KI W KNO3 W K2(—) W K2O W K3PO4 W K2(—) W K2SO4 W K2S W K2(—) W KCNS
Pt
w PtBr4
W PtCl4
I Pt(CN)2
W PtF4
A Pt(OH)4 I PtI2 W Pt(NO3)4
A PtO
W Pt(SO4)2 I PtS I
Ag w Ag(—) A Ag3(—) A Ag3(—) w Ag(—) a AgBr A Ag2CO3 W Ag(—) a AgCl w Ag2(—) w Ag3(—) a AgCN I Ag3(—) I Ag4(—) W AgF W Ag(—)
I AgI W AgNO3 a Ag2(—) w Ag2O A Ag3PO4
w Ag2SO4 A Ag2S A Ag2(—) I AgCNS
Na W Na(—) W Na3(—) W Na2H(—) W Na(—) W NaBr W Na2CO3 W Na(—) W NaCl W Ma2(—) W Na3(—) W NaCN W Na3(—) W Na4(—) W NaF W Na(—) W NaOH W NaI W NaNO3 W Na2(—) d Na2O W Na3PO4 W Na2(—) W Na2SO4 W Na2S W Na2(—) W NaCNS
Sn (IV) W Sn(—)4
Sn (II) d Sn(—)2
A Sn3(—)2
W SnBr4
W SnBr2
W SnCl4 W Sn(—)2
W Sn(—)2 W SnCl2 A Sn(—)
W SnF4
A Sn3(—)2 a Sn2(—) W SnF2
w Sn(OH)4 d SnI4
A SnO2
W Sn(SO4)2 A SnS2 A
A Sn(OH)2 W SnI2 d Sn(NO3)2 A Sn(—) A SnO A Sn3(PO4)
W SnSO4 A SnS A Sn(—)
Sr W Sr(—)2 w SrH(—) w Sr3(—)2
W SrBr2 w SrCO3 W Sr(—)2 W SrCl2 w Sr(—) A SrH(—) W Sr(CN)2 W Sr3(—)2 W Sr2(—) w SrF2 W Sr(—)2 W Sr(OH)2 W SrI2 W Sr(NO3)2 w Sr(—) W SrO A Sr3(PO4)2 A Sr(—) w SrSO4 W SrS W Sr(—) W Sr(CNS)2
Zn W Zn(—)2 A Zn3(—)2
W Zn(—)2 W ZnBr2 w ZnCO3 W Zn(—)2 W ZnCl2 w Zn(—) w Zn3(—)2 A Zn(CN)2 A Zn3(—)2 I Zn2(—) w ZnF2 W Zn(—)2 A Zn(OH)2 W ZnI2 W Zn(NO3)2 A Zn(—) w ZnO A Zn3(PO4)2 A Zn(—) W ZnSO4 A ZnS A Zn(—) W Zn(CNS)2
4/30/05 8:47:54 AM
REDUCTION OF WEIGHINGS IN AIR TO VACUO When the mass M of a body is determined in air, a correction is necessary for the buoyancy of the air. The corrected mass is given by M + kM/1000, where k is a function of the material used for the weights, given by k = 1000ρair(1/ρbody - 1/ρweight ) and ρ is density. The table below is computed for an air density of 0.0012 g/cm3 and for densities of three common weights: Density of body (g/cm3) 0.5 0.6 0.7 0.8 0.9 1.0 1.1 1.2 1.3 1.4 1.5 1.6 1.7
Value of k for weights of: Pt-Ir Brass Quartz or Al 2.34 2.26 1.95 1.94 1.86 1.55 1.66 1.57 1.26 1.44 1.36 1.05 1.28 1.19 0.88 1.14 1.06 0.75 1.04 0.95 0.64 0.94 0.86 0.55 0.87 0.78 0.47 0.80 0.72 0.40 0.74 0.66 0.35 0.69 0.61 0.30 0.65 0.56 0.25
platinum-iridium (21.6 g/cm3), brass (8.5 g/cm3), and aluminum or quartz (2.65 g/cm3).
References 1. Kaye, G. W. C., and Laby, T. H., Tables of Physical and Chemical Constants, 16th Edition, pp. 25-28, Longman, London, 1995. 2. Giacomo, P., Metrologia, 18, 33, 1982. 3. Davis, R. S., Metrologia, 29, 67, 1992. Density of body (g/cm3) 1.8 1.9 2.0 2.5 3.0 4.0 6.0 8.0 10.0 15.0 20.0 22.0
Value of k for weights of: Pt-Ir Brass Quartz or Al 0.61 0.53 0.21 0.58 0.49 0.18 0.54 0.46 0.15 0.42 0.34 0.03 0.34 0.26 -0.05 0.24 0.16 -0.15 0.14 0.06 -0.25 0.09 0.01 -0.30 0.06 -0.02 -0.33 0.02 -0.06 -0.37 0.00 -0.08 -0.39 0.00 -0.09 -0.40
For a more accurate calculation, use the following values of the density of air (assuming 50% relative humidity and 0.04% CO2): P/kPa 85 90 95 100 105
10°C 0.001043 0.001105 0.001166 0.001228 0.001290
Air temperature 20°C 0.001005 0.001065 0.001124 0.001184 0.001243
30°C 0.000968 0.001025 0.001083 0.001140 0.001198
Formulas for calculating the density of air over more extended ranges of temperature, pressure, and humidity may be found in the references.
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VOLUME OF ONE GRAM OF WATER The following table, which is designed for gravimetric calibration of volumetric apparatus, gives the specific volume of water at standard atmospheric pressure as a function of temperature.
t/°C 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30
Reference Marsh, K. N., Ed., Recommended Reference Materials for the Realization of Physicochemical Properties, pp. 25-27, Blackwell Scientific Publications, Oxford, 1987.
Volume of 1 g H2O in cm3 1.0002980 1.0003928 1.0005007 1.0006212 1.0007542 1.0008992 1.0010561 1.0012246 1.0014044 1.0015952 1.0017969 1.0020092 1.0022320 1.0024649 1.0027079 1.0029607 1.0032234 1.0034956 1.0037771 1.0040679 1.0043679
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PROPERTIES OF CARRIER GASES FOR GAS CHROMATOGRAPHY The following is a list of carrier gases sometimes used in gas chromatography, with properties relevant to the design of chromatographic systems. All data refer to normal atmospheric pressure (101.325 kPa). Mr : Molecular weight (relative molar mass) ρ25 : Density at 25°C in g/L λ : Thermal conductivity in mW/m °C η : Viscosity in µPa s (equal to 10-3 cp) cp : Specific heat at 25°C in J/g °C
Gas Hydrogen Helium Argon Nitrogen Oxygen Carbon monoxide Carbon dioxide Sulfur hexafluoride Methane Ethane Ethylene Propane
Mr 2.016 4.003 39.95 28.01 32.00 28.01 44.01 146.05 16.04 30.07 28.05 44.10
ρ 25 g L-1 0.0824 0.1636 1.6329 1.1449 1.3080 1.1449 1.7989 5.9696 0.6556 1.2291 1.1465 1.8025
References 1. Lide, D. R., and Kehiaian, H. V., CRC Handbook of Thermophysical and Thermochemical Data, CRC Press, Boca Raton, FL, 1994. 2. Bruno, T. J., and Svoronos, P. D. N., CRC Handbook of Basic Tables for Chemical Analysis, CRC Press, Boca Raton, FL, 1989.
At 25°C
λ mW/m °C 185.9 154.6 17.8 25.9 26.2 24.8 16.7 13.1 34.5 20.9 20.5 17.9
η µPa s 8.9 19.9 22.7 17.9 20.7 17.8 14.9 28.1 11.1 9.4 10.3 8.3
At 250°C
λ mW/m °C 280 230 27.7 39.6 42.6 40.7 35.5 15.3 75.0 57.7 53.8 49.2
η µPa s 13.1 29.5 35.3 26.8 31.8 26.5 24.9 24.8 17.6 15.5 17.2 14.0
cp(25 °C) J/g °C 14.3 5.20 0.521 1.039 0.919 1.039 0.843 0.664 2.23 1.75 1.53 1.67
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SOLVENTS FOR ULTRAVIOLET SPECTROPHOTOMETRY This table lists some solvents commonly used for sample preparation for ultraviolet spectrophotometry. The properties given are: λc: cutoff wavelength, below which the solvent absorption becomes excessive. ε: dielectric constant (relative permittivity); the temperature in °C is given as a superscript. tb: normal boiling point. Name Acetic acid Acetone Acetonitrile Benzene 2-Butanol Butyl acetate Carbon disulfide Carbon tetrachloride 1-Chlorobutane Chloroform Cyclohexane 1,2-Dichloroethane Dichloromethane Diethyl ether N,N-Dimethylacetamide N,N-Dimethylformamide Dimethyl sulfoxide 1,4-Dioxane Ethanol Ethyl acetate Ethylene glycol dimethyl ether Ethylene glycol monoethyl ether Ethylene glycol monomethyl ether Glycerol Heptane Hexadecane Hexane Methanol Methylcyclohexane Methyl ethyl ketone Methyl isobutyl ketone 2-Methyl-1-propanol N-Methyl-2-pyrrolidone Nitromethane Pentane Pentyl acetate 1-Propanol 2-Propanol Pyridine Tetrachloroethylene Tetrahydrofuran Toluene 1,1,2-Trichloro-1,2,2-trifluoroethane 2,2,4-Trimethylpentane Water o-Xylene m-Xylene p-Xylene
References 1. Bruno, T. J., and Svoronos, P. D. N., CRC Handbook of Basic Tables for Chemical Analysis, CRC Press, Boca Raton, FL, 1989. 2. Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, New Series, IV/6, Static Dielectric Constants of Pure Liquids and Binary Liquid Mixtures, Springer–Verlag, Heidelberg, 1991.
λc/nm 260 330 190 280 260 254 380 265 220 245 210 226 235 218 268 270 265 215 210 255 240 210 210 207 197 200 210 210 210 330 335 230 285 380 210 212 210 210 330 290 220 286 231 215 191 290 290 290
ε 6.2020 21.0120 36.6420 2.2820 17.2620 5.0720 2.6320 2.2420 7.2820 4.8120 2.0220 10.4220 8.9325 4.2720 38.8521 38.2520 47.2420 2.2220 25.320 6.0820 7.3024 13.3825 17.225 46.5320 1.9220 2.0520 1.8920 33.020 2.0220 18.5620 13.1120 17.9320 32.5520 37.2720 1.8420 4.7920 20.820 20.1820 13.2620 2.2730 7.5222 2.3823 2.4125 1.9420 80.1020 2.5620 2.3620 2.2720
tb/°C 117.9 56.0 81.6 80.0 99.5 126.1 46 76.8 78.6 61.1 80.7 83.5 40 34.5 165 153 189 101.5 78.2 77.1 85 135 124.1 290 98.5 286.8 68.7 64.6 100.9 79.5 116.5 107.8 202 101.1 36.0 149.2 97.2 82.3 115.2 121.3 65 110.6 47.7 99.2 100.0 144.5 139.1 138.3
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13
C CHEMICAL SHIFTS OF USEFUL NMR SOLVENTS
The following table gives the expected carbon-13 chemical shifts, relative to tetramethylsilane, for various useful NMR solvents. In some solvents, slight changes can occur with change of concentration.2,3
References 1. Bruno, T. J., and Svoronos, P. D. N., CRC Handbook of Basic Tables for Chemical Analysis, CRC Press, Boca Raton, FL, 1989. Solvent Acetic acid-d4 Acetone Acetone-d6 Acetonitrile-d3 Benzene Benzene-d6 Carbon disulfide Carbon tetrachloride Chloroform Chloroform-d3 Cyclohexane-d12 Dichloromethane-d2 Dimethylformamide-d7 Dimethylsulfoxide-d6 Dioxane-d8 Formic acid-d2 Methanol-d4 Nitromethane-d3 Pyridine Pyridine-d5 1,1,2,2-Tetrachloroethane-d2 Tetrahydrofuran-d8 Trichlorofluoromethane
2. Silverstein, R. M., Bassler, G. C., and Morrill, T. C., Spectrometric Identification of Organic Compounds, John Wiley & Sons, Now York, 1981. 3. Rahman, A. U., Nuclear Magnetic Resonance. Basic Principles, Springer-Verlag, New York, 1986. 4. Pretsch, E., Clerc, T., Seibl, J., and Simon, W., Spectral Data for Structure Determination of Organic Compounds, Second Edition, Springer-Verlag, Heidelberg, 1989.
Formula CD3COOD (CH3)2C=O (CD3)2C=O CD3C≡N C6H6 C6D6 CS2 CCl4 CHCl3 CDC13 C6D12 CD2C12 (CD3)2NCDO (CD3)2S=O C4D3O2 DCOOD CD3OD CD3NO2 C5H5N C5D5N CDC12CDC12 C4D8O CFC13
Chemical shift (ppm) 20.0 (CD3) 205.8 (C=O) 30.7 (CH3) 206.7 (C=O) 29.2 (CD3) 204.1 (C=O) 1.3 (CD3) 117.1 (C≡N) 128.5 128.4 192.3 96.0 77.2 77.05 27.5 53.6 31 (CD3) 36 (CD3) 162.4 (C=O) 39.6 67.4 165.5 49.3 57.3 123.6 (C3) 135.7 (C4) 149.8 (C2) 123.9 (C3) 135.9 (C4) 150.2 (C2) 75.5 25.8 (C2) 67.9 (C1) 117.6
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MASS SPECTRAL PEAKS OF COMMON ORGANIC SOLVENTS The strongest peaks in the mass spectra of 200 important solvents are listed in this table. The e/m value for each peak is followed by the relative intensity in parentheses, with the strongest peak assigned an intensity of 100. The peaks for each compound are listed in order of decreasing intensity. Solvents are listed in alphabetical order by common name. Data on the physical properties of the same compounds may be found in Section 15 in the table “Properties of Common Laboratory Solvents”. Compound
References 1. NIST/EPA/NIH Mass Spectral Database, National Institute of Standards and Technology, Gaithersburg, MD, 20899. 2. Lide, D. R., and Milne, G. W. A., Eds., Handbook of Data on Organic Compounds, Third Edition, CRC Press, Boca Raton, FL, 1994. (Also available as a CD ROM database.)
e/m (intensity)
Acetal (1,1-Diethoxyethane)
44(100)
43(92)
29(77)
31(76)
45(74)
27(52)
72(48)
73(23)
28(17)
46(15)
Acetic acid Acetone Acetonitrile Acetylacetone Acrylonitrile Adiponitrile Allyl alcohol Allylamine
43(100) 43(100) 41(100) 43(100) 53(100) 41(100) 57(100) 30(100)
45(87) 15(34) 40(46) 85(31) 26(85) 68(50) 31(34) 56(80)
60(57) 58(23) 39(13) 100(20) 52(79) 54(42) 29(32) 28(76)
15(42) 27(9) 14(9) 27(12) 51(34) 40(21) 28(31) 57(33)
42(14) 14(9) 38(6) 42(10) 27(13) 55(20) 58(25) 39(21)
29(13) 42(8) 28(4) 29(10) 50(8) 27(17) 39(22)
14(13) 26(7) 26(4) 41(7) 25(7) 39(16) 27(20) 27(18)
28(7) 29(5) 25(3) 39(7) 38(5) 28(13) 30(16) 26(13)
18(6) 28(5) 42(2) 31(5) 54(3) 52(7) 32(14) 41(8)
16(6) 39(4) 27(2) 26(5) 37(3) 42(6) 26(11) 18(8)
2-Aminoisobutanol Benzal chloride Benzaldehyde Benzene Benzonitrile Benzyl chloride Bromochloromethane Bromoform (Tribromomethane) Butyl acetate Butyl alcohol sec-Butyl alcohol tert-Butyl alcohol Butylamine tert-Butylamine Butyl methyl ketone p-tert-Butyltoluene γ-Butyrolactone Caprolactam Carbon disulfide Carbon tetrachloride 1-Chloro-1,1-difluoroethane Chlorobenzene Chloroform Chloropentafluoroethane Cumene (Isopropylbenzene) Cyclohexane Cyclohexanol Cyclohexanone Cyclohexylamine Cyclopentane Cyclopentanone p-Cymene (1-Methyl-4-isopropylbenzene) cis-Decalin trans-Decalin Diacetone alcohol 1,2-Dibromoethane Dibromofluoromethane Dibromomethane 1,2-Dibromotetrafluoroethane Dibutylamine
58(100) 125(100) 51(100) 78(100) 103(100) 91(100) 49(100) 173(100) 43(100) 31(100) 45(100) 59(100) 30(100) 58(100) 43(100) 133(100) 28(100) 55(100) 76(100) 117(100) 65(100) 112(100) 83(100) 85(100) 105(100) 56(100) 57(100) 55(100) 56(100) 42(100) 55(100) 119(100)
41(18) 127(32) 77(81) 77(20) 76(34) 126(20) 130(67) 171(50) 56(34) 56(81) 31(22) 31(33) 73(10) 41(21) 58(60) 105(38) 42(74) 113(87) 32(22) 119(98) 45(31) 77(63) 85(64) 69(61) 120(25) 84(71) 44(68) 42(85) 43(23) 70(30) 28(50) 91(42)
18(17) 160(14) 50(55) 52(19) 50(13) 65(14) 128(52) 175(49) 41(17) 41(62) 27(22) 41(22) 28(5) 42(15) 57(17) 41(23) 29(48) 30(81) 44(17) 121(31) 85(14) 114(33) 47(35) 31(38) 77(13) 41(70) 41(68) 41(34) 28(17) 55(29) 84(42) 134(33)
42(13) 89(13) 106(44) 51(17) 104(9) 92(9) 51(31) 93(22) 27(16) 43(60) 59(20) 43(18) 41(3) 18(9) 100(16) 148(18) 27(33) 56(66) 78(9) 82(24) 31(10) 51(29) 35(19) 87(32) 51(12) 27(37) 39(51) 27(33) 99(10) 41(29) 41(38) 39(27)
28(11) 162(9) 105(43) 50(15) 75(7) 39(9) 93(23) 91(22) 29(15) 27(50) 29(18) 29(13) 27(3) 30(8) 29(15) 93(16) 41(27) 84(60) 38(6) 47(23) 64(8) 50(14) 48(16) 50(17) 79(10) 55(36) 32(40) 98(31) 70(8) 39(22) 56(29) 41(20)
56(10) 63(9) 52(26) 39(12) 51(7) 63(8) 81(20) 79(18) 73(11) 42(31) 43(13) 27(11) 18(3) 15(8) 41(13) 91(14) 56(25) 85(57) 28(5) 84(16) 44(7) 75(8) 49(12) 35(8) 106(9) 39(35) 43(38) 39(27) 57(6) 27(15) 27(24) 117(18)
30(10) 126(8) 78(16) 79(6) 77(5) 128(6) 79(20) 81(17) 61(10) 29(31) 41(12) 57(10) 44(2) 39(7) 85(8) 115(13) 86(24) 42(51) 77(3) 35(14) 35(6) 113(7) 87(10) 119(6) 39(9) 42(30) 31(32) 69(26) 30(6) 40(7) 39(19) 65(18)
29(8) 62(7) 39(13) 76(5) 52(4) 45(6) 95(17) 94(13) 28(7) 28(17) 44(8) 42(4) 42(2) 57(6) 27(8) 134(11) 26(18) 41(33) 64(1) 49(8) 26(6) 78(5) 37(6) 66(4) 27(8) 69(23) 42(22) 70(20) 93(5) 29(5) 42(15) 77(17)
43(6) 105(5) 27(10) 74(4) 39(4) 89(5) 132(16) 92(13) 55(6) 39(16) 18(8) 60(3) 31(2) 28(6) 71(7) 39(11) 85(10) 28(26) 46(1) 28(8) 87(5) 76(5) 50(5) 100(3) 103(6) 28(18) 67(18) 43(14) 54(4) 28(4) 26(9) 27(16)
59(5) 39(5) 74(8) 38(4) 74(3) 125(3) 47(8) 254(11) 39(6) 55(12) 28(5) 28(3) 29(2) 59(4) 59(5) 116(10) 39(10) 43(17) 39(1) 36(6) 81(4) 28(4) 84(4) 47(3) 91(5) 43(14) 82(16) 28(14) 41(4) 43(3) 29(7) 120(15)
67(100) 41(100) 43(100) 27(100) 111(100) 174(100) 179(100) 86(100)
81(87) 68(91) 59(41) 107(77) 113(98) 93(96) 181(97) 72(52)
41(81) 67(88) 58(17) 109(72) 192(29) 95(84) 129(34) 30(48)
138(67) 82(67) 101(10) 26(24) 43(16) 172(53) 131(33) 44(40)
96(62) 27(65) 41(9) 28(10) 41(16) 176(50) 100(17) 29(31)
82(62) 96(61) 31(9) 81(5) 190(15) 91(11) 31(13) 57(24)
39(50) 95(55) 83(6) 79(5) 194(14) 81(9) 260(12) 41(21)
55(45) 138(51) 56(6) 25(5) 81(9) 79(9) 50(8) 73(15)
27(44) 81(51) 55(6) 95(4) 79(9) 94(5) 69(7) 28(15)
95(42) 29(51) 29(6) 93(4) 122(7) 65(5) 262(6) 43(13)
29(20)
8-129
Section 8.indb 129
4/30/05 8:47:59 AM
Mass Spectral Peaks of Common Organic Solvents
8-130 Compound
o-Dichlorobenzene 1,1-Dichloroethane (Ethylidene dichloride) 1,2-Dichloroethane (Ethylene dichloride) 1,1-Dichloroethylene cis-1,2-Dichloroethylene trans-1,2-Dichloroethylene Dichloroethyl ether Dichloromethane (Methylene chloride) 1,2-Dichloropropane 1,2-Dichlorotetrafluoroethane Diethanolamine Diethylamine Diethyl carbonate Diethylene glycol Diethylene glycol dimethyl ether (Diglyme) Diethylene glycol monoethyl ether (Carbitol) Diethylene glycol monoethyl ether acetate Diethylene glycol monomethyl ether Diethylenetriamine Diethyl ether Diisobutyl ketone (Isovalerone) Diisopropyl ether N,N-Dimethylacetamide Dimethylamine Dimethyl disulfide N,N-Dimethylformamide Dimethyl sulfoxide 1,4-Dioxane 1,3-Dioxolane Dipentene Epichlorohydrin Ethanolamine (Glycinol) Ethyl acetate Ethyl acetoacetate Ethyl alcohol Ethylamine Ethylbenzene Ethyl bromide (Bromoethane) Ethyl chloride (Cloroethane) Ethylene carbonate Ethylenediamine (1,2-Ethanediamine) Ethylene glycol Ethylene glycol diethyl ether Ethylene glycol dimethyl ether Ethylene glycol monobutyl ether Ethylene glycol monoethyl ether (Cellosolve) Ethylene glycol monoethyl ether acetate Ethylene glycol monomethyl ether Ethylene glycol monomethyl ether acetate Ethyl formate Furan Furfural Furfuryl alcohol Glycerol Heptane 1-Heptanol Hexane 1-Hexanol (Caproyl alcohol) Hexylene glycol
Section 8.indb 130
e/m (intensity)
146(100) 63(100)
148(64) 27(71)
111(38) 65(31)
75(23) 26(19)
113(12) 83(11)
74(12) 85(7)
50(11) 61(7)
150(10) 35(6)
73(9) 98(5)
147(7) 62(5)
62(100)
27(91)
49(40)
64(32)
26(31)
63(19)
98(14)
51(13)
61(12)
100(9)
61(100) 61(100) 61(100) 93(100) 49(100)
96(61) 96(73) 96(67) 63(74) 84(64)
98(38) 98(47) 98(43) 27(38) 86(39)
63(32) 63(32) 26(34) 95(32) 51(31)
26(16) 26(30) 63(32) 65(24) 47(14)
60(15) 60(21) 60(24) 31(9) 48(8)
62(7) 25(13) 25(15) 49(4) 88(6)
25(7) 35(12) 62(10) 28(4) 50(3)
100(6) 62(9) 100(7) 94(3) 85(2)
35(6) 100(8) 47(7) 62(3) 83(2)
63(100) 85(100) 30(100) 30(100) 29(100) 45(100) 59(100)
62(71) 135(52) 74(82) 58(81) 45(70) 75(23) 58(43)
27(57) 87(33) 28(77) 44(28) 31(53) 31(20) 31(34)
41(49) 137(17) 56(69) 73(18) 27(39) 44(16) 29(32)
39(32) 101(9) 18(50) 29(18) 91(24) 27(14) 45(28)
65(31) 31(9) 42(46) 28(17) 28(15) 76(12) 28(19)
76(27) 103(6) 29(36) 72(12) 63(11) 29(12) 89(15)
64(25) 100(6) 27(34) 42(11) 26(10) 43(11) 43(9)
49(13) 50(5) 45(30) 27(11) 30(6) 42(9) 27(5)
77(12) 69(4) 43(19) 59(4) 43(5) 41(4) 60(4)
45(100)
59(56)
72(37)
73(22)
60(14)
31(13)
75(11)
44(9)
104(8)
103(7)
43(100)
29(51)
31(42)
45(40)
59(24)
72(18)
44(10)
73(9)
42(9)
30(6)
45(100)
31(42)
59(41)
29(38)
28(32)
58(21)
43(14)
27(13)
44(11)
32(10)
44(100) 31(100) 57(100) 45(100) 44(100) 44(100) 94(100) 73(100) 63(100) 28(100) 73(100) 68(100) 57(100) 30(100) 43(100) 43(100) 31(100) 30(100) 91(100) 108(100) 64(100) 29(100) 30(100)
73(59) 29(63) 85(82) 43(39) 87(69) 45(81) 45(63) 44(86) 78(70) 29(37) 29(56) 93(50) 27(39) 18(30) 29(46) 29(24) 45(44) 28(32) 106(31) 110(97) 28(91) 44(62) 18(13)
30(35) 59(40) 41(46) 87(15) 43(46) 18(32) 79(59) 42(36) 15(40) 88(31) 44(53) 67(44) 29(32) 28(15) 27(33) 88(18) 46(18) 44(20) 51(14) 29(62) 29(84) 43(54) 42(6)
19(18) 27(35) 43(39) 41(12) 45(23) 28(30) 46(38) 30(22) 45(35) 58(24) 45(28) 94(22) 49(25) 42(7) 45(32) 28(16) 27(18) 45(19) 39(10) 27(51) 27(75) 88(40) 43(5)
56(16) 45(33) 58(33) 59(10) 42(19) 43(19) 47(26) 28(20) 29(16) 31(17) 28(21) 39(22) 31(22) 31(6) 61(28) 85(14) 29(15) 27(13) 77(8) 28(35) 66(32) 30(16) 27(5)
28(16) 74(23) 28(30) 27(8) 72(15) 42(15) 15(18) 29(8) 61(13) 15(17) 43(20) 107(18) 62(18) 17(6) 28(25) 27(12) 43(14) 15(10) 65(8) 26(14) 26(28) 28(11) 44(4)
27(16) 15(17) 26(30) 39(4) 15(11) 15(9) 48(14) 43(7) 46(12) 27(15) 27(13) 92(18) 28(16) 61(5) 42(18) 42(11) 30(6) 42(9) 105(7) 93(6) 49(25) 45(7) 29(4)
42(11) 43(9) 39(22) 69(3) 30(8) 46(5) 61(12) 72(6) 31(11) 30(13) 31(7) 53(18) 92(1) 15(5) 73(11) 60(9) 42(3) 29(8) 92(7) 32(6) 51(8) 58(6) 17(4)
99(8) 28(9) 42(12) 42(3) 28(5) 41(5) 64(11) 58(5) 48(10) 43(11) 74(5) 136(16)
43(8) 26(9) 142(11) 31(3) 88(4) 27(5) 96(9) 74(4) 47(10) 26(9) 42(3) 79(16)
43(3) 88(10) 130(6) 19(3) 41(5) 78(7) 95(5) 63(6) 42(6) 15(4)
29(3) 70(10) 45(6) 14(3) 40(5) 27(6) 81(5) 65(4) 73(4) 41(3)
31(100) 31(100) 45(100) 57(100) 31(100)
33(35) 59(71) 60(13) 45(38) 29(52)
29(13) 29(58) 29(13) 29(35) 59(50)
32(11) 45(43) 90(7) 41(31) 27(27)
43(6) 27(33) 58(6) 87(16) 45(26)
27(5) 74(27) 31(5) 27(12) 72(14)
28(4) 43(15) 28(5) 56(11) 43(14)
62(3) 15(14) 43(4) 31(9) 15(14)
30(3) 28(12) 59(3) 75(7) 28(8)
44(2) 44(10) 46(2) 28(7) 26(6)
43(100)
31(34)
59(31)
72(28)
44(25)
29(24)
45(12)
27(11)
15(11)
87(7)
45(100) 43(100)
31(15) 45(48)
29(14) 58(42)
28(11) 29(10)
47(9) 42(4)
76(6) 31(4)
43(6) 73(3)
58(4) 27(3)
46(4) 59(2)
27(4) 26(2)
31(100) 68(100) 39(100) 98(100) 61(100) 43(100) 41(100) 57(100) 56(100) 59(100)
28(73) 39(64) 96(55) 41(65) 43(90) 41(56) 70(87) 43(78) 43(78) 43(61)
27(51) 40(9) 95(52) 39(59) 31(57) 29(49) 56(86) 41(77) 31(74) 56(25)
29(38) 38(9) 38(38) 81(55) 44(54) 57(47) 31(78) 29(61) 41(71) 45(17)
45(34) 42(6) 29(35) 53(53) 29(38) 27(46) 43(72) 27(57) 27(64) 41(16)
26(17) 29(6) 37(29) 97(51) 18(32) 71(45) 29(70) 56(45) 29(59) 57(13)
74(11) 37(5) 40(11) 42(49) 27(12) 56(27) 55(67) 42(39) 55(58) 42(13)
43(9) 69(4) 97(9) 69(39) 42(11) 42(26) 27(65) 39(27) 42(53) 85(11)
47(8) 34(2) 50(7) 70(36) 60(10) 39(23) 42(54) 28(16) 39(37) 61(10)
56(4) 67(1) 42(7) 29(28) 45(10) 70(18) 69(41) 86(14) 69(27) 31(10)
4/30/05 8:48:01 AM
Mass Spectral Peaks of Common Organic Solvents Compound
Hexyl methyl ketone Isobutyl acetate Isobutyl alcohol Isobutylamine Isopentyl acetate Isophorone Isopropyl acetate Isopropyl alcohol Isoquinoline d-Limonene (Citrene) 2,6-Lutidine (2,6-Dimethylpyridine) Mesitylene (1,3,5-Trimethylbenzene) Mesityl oxide Methyl acetate Methylal (Dimethoxymethane) Methyl alcohol Methylamine Methyl benzoate Methylcyclohexane Methyl ethyl ketone N-Methylformamide Methyl formate Methyl iodide (Iodomethane) Methyl isobutyl ketone Methyl isopentyl ketone 2-Methylpentane 4-Methyl-2-pentanol Methyl pentyl ketone Methyl propyl ketone N-Methyl-2-pyrrolidone Morpholine Nitrobenzene Nitroethane Nitromethane 1-Nitropropane 2-Nitropropane Octane 1-Octanol Pentachloroethane Pentamethylene glycol (1,5-Pentanediol) Pentane 1-Pentanol (Amyl alcohol) Pentyl acetate (Amyl acetate) 2-Picoline (2-Methylpyridine) α-Pinene β-Pinene Piperidine (Hexahydropyridine) Propanenitrile Propyl acetate Propyl alcohol Propylamine Propylbenzene 1,2-Propylene glycol Pseudocumene (1,2,4-Trimethylbenzene) Pyridine Pyrrole Pyrrolidine 2-Pyrrolidone Quinoline Styrene Sulfolane α-Terpinene 1,1,1,2-Tetrachloro-2,2difluoroethane Tetrachloro-1,2-difluoroethane
Section 8.indb 131
8-131 e/m (intensity)
43(100) 43(100) 43(100) 30(100) 43(100) 82(100) 43(100) 45(100) 129(100) 68(100) 107(100)
58(79) 56(26) 33(73) 28(9) 70(49) 39(20) 61(17) 43(19) 102(26) 93(50) 39(39)
41(56) 73(15) 31(72) 41(6) 55(38) 138(17) 41(14) 27(17) 51(20) 67(49) 106(29)
59(52) 41(10) 41(66) 73(5) 61(15) 54(13) 87(9) 29(12) 128(18) 41(22) 66(22)
71(49) 29(5) 42(60) 27(5) 42(15) 27(12) 59(8) 41(7) 50(11) 94(21) 92(18)
27(46) 71(3) 27(43) 39(4) 41(14) 41(10) 27(8) 31(6) 130(10) 79(21) 65(18)
29(36) 57(3) 29(18) 29(3) 27(12) 53(8) 42(7) 19(6) 75(10) 39(21) 38(12)
39(27) 39(3) 39(17) 15(3) 87(11) 83(7) 39(4) 42(5) 76(9) 136(20) 27(11)
57(18) 27(3) 28(8) 58(2) 29(10) 29(7) 45(3) 44(4) 103(8) 53(19) 79(9)
55(17) 86(2) 74(6) 56(2) 73(9) 55(6) 44(2) 59(3) 74(7) 121(16) 63(9)
105(100)
120(64)
119(15)
77(13)
39(11)
106(9)
91(9)
51(8)
27(7)
121(6)
55(100) 43(100) 45(100) 31(100) 30(100) 105(100) 83(100) 43(100) 59(100) 31(100) 142(100) 43(100) 43(100) 43(100) 45(100) 43(100) 43(100) 99(100) 57(100) 77(100) 29(100) 30(100) 43(100) 43(100) 43(100) 41(100) 167(100) 31(100)
83(89) 74(52) 75(61) 29(72) 31(87) 77(81) 55(82) 72(24) 30(54) 29(63) 127(38) 58(84) 58(34) 42(53) 43(47) 58(60) 41(17) 44(89) 29(100) 51(59) 30(12) 61(64) 27(93) 41(73) 57(30) 56(85) 165(91) 56(85)
43(73) 28(38) 29(59) 32(67) 28(56) 51(45) 41(60) 29(19) 28(34) 32(34) 141(14) 29(65) 27(14) 41(35) 69(30) 71(14) 86(12) 98(80) 87(69) 123(42) 28(11) 46(39) 41(90) 27(71) 85(25) 43(82) 117(90) 41(67)
29(42) 42(19) 31(13) 15(42) 29(19) 136(24) 98(44) 27(12) 29(13) 60(28) 15(13) 41(56) 41(13) 27(31) 41(27) 41(11) 42(12) 42(60) 28(69) 50(25) 26(9) 28(30) 39(34) 39(30) 41(25) 55(81) 119(89) 57(59)
98(36) 59(17) 30(6) 28(12) 32(15) 50(18) 42(35) 57(7) 58(8) 30(7) 139(5) 57(44) 15(13) 71(29) 27(19) 27(11) 27(11) 41(38) 30(38) 30(15) 27(8) 45(8) 30(25) 30(18) 71(19) 31(69) 83(58) 55(51)
39(32) 44(8) 15(6) 14(10) 15(12) 106(8) 56(30) 42(5) 15(7) 28(7) 140(4) 27(42) 57(11) 39(20) 39(13) 59(9) 39(8) 43(17) 56(33) 65(14) 43(5) 27(8) 44(20) 15(11) 29(17) 27(69) 169(54) 44(45)
27(28) 32(8) 47(5) 30(9) 27(9) 78(6) 27(29) 26(4) 60(3) 44(2) 128(3) 39(31) 39(9) 29(18) 29(12) 39(8) 71(7) 28(17) 86(28) 39(10) 41(5) 44(7) 42(20) 42(9) 56(14) 29(68) 130(43) 29(37)
53(11) 29(6) 76(2) 13(6)
41(10) 31(4) 46(2) 12(3)
56(5) 75(2) 44(2) 16(2)
28(6) 39(27) 28(3) 41(3) 18(2) 14(1) 85(19) 71(8) 57(11) 87(11) 29(8) 58(7) 71(13) 31(28) 93(9) 14(5) 29(7) 26(20) 28(8) 70(10) 42(62) 132(42) 43(31)
39(5) 69(23) 44(2) 27(3) 61(1) 13(1) 100(14) 59(8) 15(10) 84(10) 42(5) 45(7) 39(11) 27(12) 74(7) 15(3) 60(5) 28(13) 26(8) 42(10) 70(53) 60(40) 68(29)
27(5) 70(22) 39(2) 31(2) 59(1) 71(0) 42(14) 29(8) 70(7) 57(10) 114(4) 44(3) 70(10) 15(7) 78(6) 46(2) 43(4) 54(12) 38(6) 27(10) 69(48) 85(37) 27(26)
43(100) 42(100) 43(100) 93(100) 93(100) 93(100) 84(100) 28(100) 43(100) 31(100) 30(100) 91(100) 45(100) 105(100)
42(55) 70(72) 70(90) 66(41) 92(30) 41(64) 85(53) 54(63) 61(19) 27(19) 28(13) 120(21) 18(46) 120(56)
41(45) 55(65) 42(52) 39(31) 39(24) 69(47) 56(46) 26(20) 31(18) 29(18) 59(8) 92(10) 29(21) 119(17)
27(42) 41(56) 28(51) 92(20) 41(23) 39(33) 57(43) 27(17) 27(15) 59(11) 27(7) 38(10) 43(19) 77(15)
29(26) 31(47) 61(50) 78(19) 77(22) 27(31) 28(41) 52(11) 42(11) 42(9) 41(5) 65(9) 31(18) 39(15)
39(19) 29(41) 55(41) 51(19) 91(21) 79(20) 29(37) 55(10) 73(9) 60(7) 42(3) 78(6) 27(17) 51(11)
57(13) 27(26) 73(21) 65(16) 27(21) 77(18) 44(34) 51(9) 41(9) 41(7) 39(3) 51(6) 28(11) 91(10)
28(9) 57(22) 41(20) 38(13) 79(18) 53(14) 42(30) 15(9) 29(9) 28(7) 29(3) 27(5) 19(8) 27(10)
15(9) 28(22) 29(14) 50(12) 121(13) 94(13) 30(30) 53(7) 59(5) 43(3) 26(3) 63(4) 44(6) 106(9)
72(8) 43(21) 69(11) 52(11) 53(10) 91(13) 43(25) 25(7) 39(5) 32(3) 18(3) 105(3) 61(5) 79(7)
79(100) 67(100) 43(100) 85(100) 129(100) 104(100) 41(100) 121(100) 167(100)
52(62) 41(58) 28(52) 42(43) 51(28) 103(41) 28(94) 93(85) 169(96)
51(31) 39(58) 70(33) 41(36) 76(25) 78(32) 56(82) 136(43) 117(85)
50(19) 40(51) 71(26) 28(33) 128(24) 51(28) 55(72) 91(40) 119(82)
78(11) 28(42) 42(22) 30(29) 44(24) 77(23) 120(37) 77(34) 171(31)
53(7) 38(20) 41(20) 56(16) 50(20) 105(12) 27(32) 39(33) 85(29)
39(7) 37(12) 27(16) 84(14) 32(19) 50(12) 39(19) 27(33) 121(26)
80(6) 66(7) 39(15) 40(12) 75(18) 52(11) 29(17) 79(27) 82(14)
27(3) 68(5) 29(10) 27(12) 74(12) 39(11) 26(11) 41(26) 47(14)
77(2) 27(3) 30(9) 29(9) 103(11) 102(10) 48(5) 43(18) 101(13)
101(100)
103(64)
167(54)
169(52)
117(19)
119(18)
171(17)
105(11)
31(11)
132(9)
4/30/05 8:48:02 AM
Mass Spectral Peaks of Common Organic Solvents
8-132 Compound
1,1,1,2-Tetrachloroethane 1,1,2,2-Tetrachloroethane Tetrachloroethylene Tetraethylene glycol Tetrahydrofuran 1,2,3,4-Tetrahydronaphthalene Tetrahydropyran Tetramethylsilane Toluene o-Toluidine Triacetin Tributylamine 1,1,1-Trichloroethane 1,1,2-Trichloroethane Trichloroethylene Trichlorofluoromethane 1,1,2-Trichlorotrifluoroethane Triethanolamine Triethylamine Triethylene glycol Triethyl phosphate Trimethylamine Trimethylene glycol (1,3-Propanediol) Trimethyl phosphate Veratrole o-Xylene m-Xylene p-Xylene
Section 8.indb 132
e/m (intensity)
131(100) 83(100) 166(100) 45(100) 42(100) 104(100) 41(100) 73(100) 91(100) 106(100) 43(100) 142(100) 97(100) 97(100) 95(100) 101(100) 101(100) 118(100) 86(100) 45(100) 99(100) 58(100) 28(100)
133(96) 85(63) 164(82) 89(10) 41(52) 132(53) 28(64) 43(14) 92(73) 107(83) 103(44) 100(19) 99(64) 83(95) 130(90) 103(66) 151(68) 56(69) 30(68) 58(11) 81(71) 59(47) 58(93)
117(76) 95(11) 131(71) 44(8) 27(33) 91(43) 56(57) 45(12) 39(20) 77(17) 145(34) 143(11) 61(58) 99(62) 132(85) 66(13) 103(64) 45(60) 58(37) 89(9) 155(56) 30(29) 31(76)
119(73) 87(10) 129(71) 43(6) 72(29) 51(17) 45(57) 74(8) 65(14) 79(13) 116(17) 29(8) 26(31) 85(60) 60(65) 105(11) 85(45) 42(56) 28(24) 31(8) 82(45) 42(26) 57(70)
95(34) 168(8) 168(45) 31(6) 71(27) 39(17) 29(51) 29(7) 63(11) 39(12) 115(13) 185(7) 27(24) 61(58) 97(64) 35(11) 31(45) 44(27) 29(23) 29(8) 45(45) 44(17) 29(40)
135(31) 133(8) 94(38) 29(6) 39(24) 131(15) 27(49) 15(5) 51(11) 53(10) 44(10) 57(6) 117(19) 26(23) 35(40) 47(9) 153(44) 43(25) 27(19) 75(7) 109(44) 15(14) 27(26)
121(23) 131(8) 47(31) 27(6) 43(22) 117(15) 85(47) 75(4) 50(7) 52(10) 86(9) 44(6) 63(19) 96(21) 134(27) 31(8) 35(20) 41(14) 44(18) 44(7) 127(41) 28(10) 45(24)
97(23) 96(8) 96(24) 101(5) 29(22) 115(14) 86(42) 44(4) 27(6) 54(9) 28(8) 41(6) 119(18) 63(19) 47(26) 82(4) 66(19) 116(8) 101(17) 43(7) 43(24) 18(10) 43(23)
61(19) 61(8) 133(20) 75(5) 40(13) 78(13) 39(28) 42(4) 93(5) 51(9) 73(7) 30(5) 35(17) 27(17) 62(21) 68(4) 47(18) 57(8) 42(16) 27(7) 125(16) 43(8) 19(18)
60(18) 60(8) 59(17) 28(5) 15(10) 77(13) 55(23) 31(4) 90(5) 28(9) 42(7) 86(4) 62(11) 98(15) 59(13) 37(4) 87(14) 86(7) 56(8) 28(5) 111(14) 57(7) 30(17)
110(100) 138(100) 91(100) 91(100) 91(100)
109(35) 95(65) 106(40) 106(65) 106(62)
79(34) 77(48) 39(21) 105(29) 105(30)
95(25) 123(44) 105(17) 39(18) 51(16)
80(23) 52(42) 51(17) 51(15) 39(16)
15(20) 41(33) 77(15) 77(14) 77(13)
140(18) 65(30) 27(12) 27(10) 27(11)
47(10) 51(29) 65(10) 92(8) 92(7)
31(7) 39(19) 92(8) 79(8) 78(7)
139(5) 63(17) 79(8) 78(8) 65(7)
4/30/05 8:48:03 AM
SOLUBILITY OF COMMON SALTS AT AMBIENT TEMPERATURES This table gives the aqueous solubility of selected salts at temperatures from 10°C to 40°C. Values are given in molality terms.
Salt BaCl2 Ca(NO3)2 CuSO4 FeSO4 KBr KIO3 K2CO3 LiCl Mg(NO3)2 MnCl2 NH4Cl NH4NO3 (NH4)2SO4 NaBr NaCl NaNO2 NaNO3 RbCl ZnSO4
10°C 1.603 6.896 1.055 1.352 5.002 0.291 7.756 19.296 4.403 5.421 6.199 18.809 5.494 8.258 6.110 11.111 9.395 6.911 2.911
15°C 1.659 7.398 1.153 1.533 5.237 0.333 7.846 19.456 4.523 5.644 6.566 21.163 5.589 8.546 6.121 11.484 9.819 7.180 3.116
20°C 1.716 7.986 1.260 1.729 5.471 0.378 7.948 19.670 4.656 5.884 6.943 23.721 5.688 8.856 6.136 11.883 10.261 7.449 3.336
References 1. 2. 3. 4.
Apelblat, A., J. Chem. Thermodynamics, 24, 619, 1992. Apelblat, A., J. Chem. Thermodynamics, 25, 63, 1993. Apelblat, A., J. Chem. Thermodynamics, 25, 1513, 1993. Apelblat, A. and Korin, E., J. Chem. Thermodynamics, 30, 59, 1998.
25°C 1.774 8.675 1.376 1.940 5.703 0.426 8.063 19.935 4.800 6.143 7.331 26.496 5.790 9.191 6.153 12.310 10.723 7.717 3.573
30°C
35°C
40°C
1.834 9.480 1.502 2.165 5.932 0.478 8.191
1.895 10.421 1.639 2.405 6.157 0.534 8.331
1.958
4.958 6.422
5.130 6.721
5.314
5.896 9.550 6.174 12.766 11.204 7.986 3.827
6.005 9.937 6.197 13.253 11.706 8.253 4.099
0.593 8.483
10.351 6.222 13.772 12.230 8.520 4.194
Ref. 1 1 3 3 3 4 1 2 1 3 2 2 3 4 4 4 4 4 1
8-121
Section 8.indb 121
4/30/05 8:47:48 AM
FLAME AND BEAD TESTS Flame Colorations
Bluish — Phosphates with sulfuric acid. Feeble — Antimony compounds. Ammonium compounds. Whitish — Zinc.
Violet
Potassium compounds. Purple red through blue glass. Easily obscured by sodium flame. Bluish-green through green glass. Rubidium and cesium compounds impart same flame as potassium compounds.
Reds
Carmine — Lithium compounds. Violet through blue glass. Invisible through green glass. Masked by barium flame. Scarlet — Strontium compounds. Violet through blue glass. Yellowish through green glass. Masked by barium flame. Yellowish — Calcium compounds. Greenish through blue glass. Green through green glass. Masked by barium flame.
Blues
Azure — Copper chloride. Copper bromide gives azure blue followed by green. Other copper compounds give same coloration when moistened with hydrochloric acid. Light blue — Lead, arsenic, selenium.
Yellow
Yellow — All sodium compounds. Invisible with blue glass.
Greens
Emerald — Copper compounds except the halides, and when not moistened with hydrochloric acid. Pure green — Compounds of thallium and tellurium. Yellowish — Barium compounds. Some molybdenum compounds. Borates, especially when treated with sulfuric acid or when burned with alcohol.
Substance Aluminum Antimony Barium Bismuth Cadmium Calcium Cerium Chromium Cobalt Copper Iron Lead Magnesium Manganese Molybdenum Nickel Silicon Silver Strontium Tin Titanium Tungsten Uranium Vanadium
Substance Aluminum Antimony Barium Bismuth Cadmium Calcium
Bead Tests Abbreviations employed: s = saturated; ss = supersaturated; ns = not saturated; h = hot; c = cold
Borax Beads
Oxidizing flame Colorless (h, c, ns); opaque (ss) Colorless; yellow or brownish (h, ss) Colorless (ns) Colorless; yellow or brownish (h, ss) Colorless Colorless (ns) Red (h) Green (c) Blue (h, c) Green (h); blue (c) Yellow or brownish red (h, ns) Colorless; yellow or brownish (h, ss) Colorless (ns) Violet (h, c) Colorless Brown; red (c) Colorless (h, c); opaque (ss) Colorless (ns) Colorless (ns) Colorless (h, c); opaque (ss) Colorless Colorless Yellow or brownish (h, ns) Colorless
Beads of Microcosmic Salt NaNH4HPO4
Oxidizing flame Colorless; opaque (s) Colorless (ns) Colorless; opaque (s) Colorless (ns) Colorless (ns) Colorless; opaque (s)
Reducing flame Colorless; opaque (s) Gray and opaque Gray and opaque Gray and opaque Colorless (h, c) Green Blue (h, c) Red (c); opaque (ss); colorless (h) Green (ss) Gray and opaque Colorless (h, c) Yellow or brown (h) Gray and opaque Colorless; opaque (s) Gray and opaque Colorless; opaque (s) Yellow (h); violet (c) Brown Green Green
Reducing flame Colorless; not clear (ss) Gray and opaque Colorless; not clear (ss) Gray and opaque Gray and opaque Colorless; not clear (ss)
8-13
Section 8.indb 13
4/30/05 8:46:12 AM
Flame and Bead Tests
8-14
Substance Cerium Chromium Cobalt Copper Iron Lead Magnesium Manganese Molybdenum Nickel Silver Strontium Tin Titanium Uranium Vanadium Zinc
Substance Manganese
Section 8.indb 14
Beads of Microcosmic Salt NaNH4HPO4
Oxidizing flame Yellow or brownish red (h, s) Red (h, s); green (c) Blue (h, c) Blue (c); green (h) Yellow or brown (h, s) Colorless (ns) Colorless; opaque (s) Violet (h, c) Colorless; green (h) Yellow (c); red (h, s) Colorless; opaque (s) Colorless; opaque (s) Colorless (ns) Green; yellow or brownish Yellow Colorless (ns)
Oxidizing flame Green
Sodium Carbonate Bead
Reducing flame Colorless Green (c) Blue (h, c) Red and opaque (c) Colorless; yellow or brownish (h) Gray and opaque Colorless; not clear (ss) Colorless Green (h) Yellow (c); red (h); gray and opaque Gray and opaque Colorless; not clear (ss) Colorless Violet (c); yellow or brownish (h) Green (h) (h, s) Green Gray and opaque
Reducing flame Colorless
4/30/05 8:46:12 AM
SOLUBILITY OF HYDROCARBONS IN SEAWATER Concern about pollution of the oceans has stimulated measurements of the solubility of organic compounds in seawater. This table gives the solubility of several hydrocarbons in seawater. The data are derived from a review in the IUPAC Solubility Data Series (Reference 1). Solubility is expressed in this table as parts per million by mass, i.e.,
The temperature and salinity of each measurement are given in the table. Salinity is a standardized measure of the concentration of dissolved salts, as explained in the table “Properties of Seawater” in Section 14. Salinity values in the open oceans at mid-latitude typically fall between 34 and 36. Reference 1 gives details of the method of measurement and an indication of the reliability of the measurements.
S/ppm(mass) = 106 × w2 = 106 × m2/(m1 + m2)
Reference
where m1 and m2 are the masses of solvent (seawater) and solute, respectively, under saturation conditions, and w2 is the mass fraction. Since the solubilities in this table are very low, the value of S is effectively the mass of hydrocarbon in grams per 1000 kg of seawater. Name Acenaphthene
1. Shaw, David G., and Maczynski, A., IUPAC-NIST Solubility Data Series 81. Hydrocarbons with Water and Seawater — Revised and Updated. Part 12. C5-C26 Hydrocarbons with Seawater, J. Phys. Chem. Ref. Data 35, 785, 2006.
Mol. Form. Salinity t/°C C12H10 35 15 Acenaphthene C12H10 35 25 Anthracene C14H10 35 25 Benz[a]anthracene C18H12 35 25 Benzene C6H6 34.4 0 Benzene C6H6 35 25 Benzo[ghi]perylene C22H12 6 25 Benzo[a]pyrene C20H12 6 25 Benzo[e]pyrene C20H12 30 25 Benzo[b]triphenylene C22H14 6 25 Biphenyl C12H10 35 25 Butylbenzene C10H14 34.5 25 sec-Butylbenzene C10H14 34.5 25 tert-Butylbenzene C10H14 34.5 25 Chrysene C18H12 35 25 Dibenz[a,h]anthracene C22H14 6 25 Dibenz[a,j]anthracene C22H14 6 25 Dodecane C12H26 35 25 Eicosane C20H42 35 25 Ethylbenzene C8H10 34.4 0 Ethylbenzene C8H10 34.4 10 Ethylbenzene C8H10 34.4 25 Fluoranthene C16H10 35 25 9H-Fluorene C13H10 35 25 Heptane C7H16 6 25 Hexacosane C26H54 35 25 Hexadecane C16H34 35 25 Hexane C6H14 35.3 25 Isopropylbenzene C9H12 34.5 25 2-Methylanthracene C15H12 35 25 Methylcyclopentane C6H12 34.5 25 1-Methylnaphthalene C11H10 30 25 1-Methylphenanthrene C15H12 35 25 Naphthalene C10H8 35 25 Nonane C9H20 6 25 Octadecane C18H38 35 25 Pentane C5H12 34.5 25 Phenanthrene C14H10 34 25
8-126
S/ppm (mass)
0.21 1.8 0.031 0.0056 1320 1360 0.00021 0.00013 0.0033 0.027 4.76 7.1 12 21 0.0011 0.021 0.010 0.0029 0.0008 140 129 111 0.124 1.2 10.3 0.0001 0.0004 7.9 43 0.013 29 23 0.20 22.8 0.43 0.0008 28 0.69
Solubility of Hydrocarbons in Seawater Name Pyrene Tetradecane Toluene Toluene 1,2,3-Trimethylbenzene 1,2,4-Trimethylbenzene 1,3,5-Trimethylbenzene Undecane o-Xylene m-Xylene p-Xylene
8-127 Mol. Form. Salinity t/°C C16H10 35 25 C14H30 35 25 C7H8 34.4 0 C7H8 35 25 C9H12 34.5 25 C9H12 34.5 25 C9H12 34.5 25 C11H24 6 25 C8H10 34.5 25 C8H10 34.5 25 C8H10 34.5 25
S/ppm (mass) 0.086 0.0017 450 387 49 40 31 0.01 130 106 111
Solubility of organic compounds in pressurized hot water Liquid water at elevated temperatures and pressures, but still in the subcritical region, is of interest as a solvent in various laboratory and industrial processes. In effect, this means water at a temperature between about 100°C and 373°C, the critical temperature, and at pressures up to 400 bar or greater. Since the dielectric constant of water decreases with increasing temperature, the solubility of many compounds, especially non-polar compounds, increases dramatically at higher temperature. The fact that solubility can be fine-tuned by controlling temperature and pressure makes pressurized hot water a useful tool in various extraction and reaction processes. This table gives a sample of the variations of solubility with temperature and pressure for several compounds, mostly hydrocarbons. The solubility is expressed in both mole fraction of solute, x2, and mass percent, 100w2, where w2 is the mass fraction. More information is available in the references.
Name Acenaphthene Anthracene
Benz[a]anthracene
Benzene
Carbazole
Chrysene
8-128
Mol. Form. t/°C 25 C12H10 250 C14H10 25 50 100 100 150 200 250 300 C18H12 25 60 100 120 150 C6H6 25 25 25 50 100 150 200 200 C12H9N 25 25 50 100 150 200 C18H12 25
References 1. Solubility Data Series, International Union of Pure and Applied Chemistry, Vol. 38, Pergamon Press, Oxford, 1988. 2. Shaw, D. G., and Maczynski, A., J. Phys. Chem. Ref. Data 35, 687, 2006. 3. Stephenson, R. M., J. Chem. Eng. Data 37, 80, 1992. 4. Lun, R., Varhanickova, D., Shiu, W.-Y., and Mackay, D., J. Chem. Eng. Data 42, 951, 1997. 5. Miller, D. J., et al., J. Chem. Eng. Data 43, 1043, 1998. 6. Miller, D. J., and Hawthorne, S. B., J. Chem. Eng. Data 45, 78, 2000. 7. Ma, J. H. Y., Hung, H., Shiu, W-Y., and Mackay, D., J. Chem. Eng. Data 46, 619, 2001. 8. Marche, C., Ferronato, C., and Jose, J., J. Chem. Eng. Data 48, 967, 2003. 9. Oleszek-Kudlak, S., Shibata, E., and Nakamura, T., J. Chem. Eng. Data 49, 570, 2004. 10. Marche, C., Ferronato, C., and Jose, J., J. Chem. Eng. Data 49, 937, 2004. 11. Andersson, T. A., Hartonen, K. M., and Riekkola, M-L., J. Chem. Eng. Data 50, 1177, 2005. 12. Karasek, P., Planeta, J., and Roth, M., J. Chem. Eng. Data 51, 616, 2006. 13. Shiu, W.-Y., and Ma, K.-C, J. Phys. Chem. Ref. Data 29, 41, 2000.
p/bar 1 50 1 50 45 39 50 77 50 100 1 50 50 52 49 1 65 400 65 65 65 65 400 1 54 56 54 54 52 1
Solubility 103x2 Mass% 0.000444 0.000380 1.25 1.06 0.0000074 0.0000044 0.000017 0.000017 0.00032 0.00032 0.000457 0.00045 0.0102 0.0101 0.13 0.13 0.497 0.49 3.78 3.62 0.00000073 0.00000093 0.00000846 0.0000107 0.000113 0.000143 0.000418 0.00053 0.00296 0.00375 0.40 0.178 0.40 0.173 0.33 0.143 0.47 0.203 0.89 0.38 2.2 0.95 5.0 2.13 4.1 1.75 0.00013 0.00012 0.00011 0.000102 0.00045 0.00042 0.0099 0.0092 0.162 0.150 1.9 1.74 0.00000016 0.00000019
Ref. 13 11 2 5 5 12 11 12 11 11 2 12 12 12 12 13 6 6 6 6 6 6 6 5 5 5 5 5 5 2
Solubility of Organic Compounds in Pressurized Hot Water Name
Mol. Form. t/°C p/bar 25 32 50 36 100 38 150 43 200 45 225 62 25 1 o-Dichlorobenzene C6H4Cl2 50 65 100 65 150 65 200 65 trans-1,2-Dimethylcyclohexane C8H16 25 1 101 7 131 7 151 7 170 7 Ethylcyclohexane C8H16 25 1 100 7 131 7 151 7 171 7 Heptane C7H16 25 1 50 7 100 7 125 7 150 7 170 7 Hexane C6H14 25 1 100 7 125 7 150 7 170 7 1-Isopropyl-4-methylbenzene C10H14 25 1 50 60 100 60 150 60 200 60 Methylcyclohexane C7H14 25 1 100 7 131 7 151 7 171 7 Naphthalene C10H8 25 1 40 50 50 50 65 50 75 50 Octane C8H18 25 1 100 7 125 7 150 7 170 7 200 65 Perylene C20H12 25 1
8-129 Solubility 103x2 Mass% 0.00000063 0.0000008 0.000001 0.0000013 0.000013 0.000016 0.00060 0.00076 0.0158 0.020 0.0758 0.096 0.018 0.0094 0.023 0.019 0.055 0.045 0.18 0.15 0.57 0.46 0.008 0.00050 0.0047 0.0029 0.0108 0.0067 0.0223 0.0139 0.0356 0.0222 0.00098 0.00061 0.00340 0.00212 0.0085 0.0053 0.01665 0.0104 0.0334 0.0208 0.0004352 0.000242 0.000613 0.00034096 0.001938 0.00108 0.00400 0.00222 0.00878 0.00488 0.01701 0.00946 0.002045 0.00098 0.006074 0.0029 0.01192 0.0057 0.02555 0.0122 0.04935 0.0236 0.0030 0.0051 0.0040 0.0030 0.011 0.0082 0.043 0.032 0.20 0.15 0.00293 0.00151 0.01006 0.0055 0.0244 0.0133 0.0423 0.0231 0.0708 0.0386 0.00444 0.00316 0.00692 0.0049 0.0114 0.0081 0.0264 0.0188 0.0435 0.0309 0.0001158 0.000073 0.0005943 0.000377 0.0014163 0.000898 0.0036957 0.00234 0.0083483 0.00529 0.029 0.018 0.00000003 0.00000004
Ref. 5 5 5 5 5 5 9 6 6 6 6 10 10 10 10 10 10 10 10 10 10 8 8 8 8 8 8 8 8 8 8 8 4 6 6 6 6 10 10 10 10 10 13 12 12 12 12 8 8 8 8 8 6 2
Solubility of Organic Compounds in Pressurized Hot Water
8-130
Name
Pyrene
p-Terphenyl
Tetrachloroethene
Toluene
2,2,4-Trimethylpentane
Triphenylene
m-Xylene
Mol. Form. t/°C p/bar 50 50 100 45 150 47 200 48 25 1 C16H10 100 50 100 200 140 50 200 50 250 50 300 50 C18H14 25 1 100 49 140 51 180 55 200 53 210 54 C2Cl4 25 1 50 65 100 65 150 65 200 65 C7H8 25 1 50 50 100 50 150 50 200 50 C8H18 25 1 50 65 100 65 150 65 200 65 C18H12 25 1 100 51 140 50 180 64 195 60 C8H10 25 1 50 60 100 60 150 60 200 60
Solubility 103x2 Mass% 0.00000029 0.0000004 0.00000210 0.00000294 0.000120 0.000168 0.0050 0.0070 0.000012 0.0000139 0.000637 0.00072 0.00078 0.00087 0.0054 0.0061 0.0492 0.055 0.205 0.23 1.41 1.56 0.00000141 0.00000180 0.0000219 0.000028 0.000372 0.000476 0.00626 0.0080 0.0241 0.0308 0.0393 0.0502 0.0285 0.0286 0.027 0.025 0.059 0.054 0.18 0.17 0.59 0.54 0.107 0.0519 0.125 0.064 0.27 0.138 0.66 0.337 1.9 0.96 0.00035 0.00022 0.00052 0.00033 0.0020 0.00127 0.0102 0.0065 0.061 0.0387 0.0000034 0.0000043 0.0000899 0.000114 0.00126 0.00160 0.0123 0.0156 0.0283 0.0359 0.028 0.0161 0.036 0.021 0.085 0.050 0.27 0.159 0.88 0.516
Ref. 5 5 5 5 2 11 5 11 11 11 11 2 12 12 12 12 12 3 6 6 6 6 7,13 6 6 6 6 1 6 6 6 6 2 12 12 12 12 13 6 6 6 6
BOND LENGTHS IN CRYSTALLINE ORGANIC COMPOUNDS The following table gives average interatomic distances for bonds between the elements H, B, C, N, O, F, Si, P, S, Cl, As, Se, Br, Te, and I as determined from X-ray and neutron diffraction measurements on organic crystals. The table has been derived from an analysis of high-precision structure data on about 10,000 crystals contained in the 1985 version of the Cambridge Structural Database, which is maintained by the Cambridge Crystallographic Data Center. The explanation of the columns is: Column 1:
Column 2:
Column 3:
Bond As(3)–As(3) As–B As–BR As(4)–C
As(3)–C As(3)–Cl As(6)–F As(3)–I As(3)–N(3) As(4)=N(2) As(4)–O As(3)–O As(4)=O As(3)=P(3) As(3)–P(3) As(3)–S As(4)=S As(3)–Se(2) As(3)–Si(4) As(3)–Te(2) B(n)–B(n) B(4)–B(4) B(4)–B(3) B(3)–B(3) B(6)–BR B(4)–BR B(n)–C
B(n)–C B(n)–Cl
Specification of elements in the bond, with coordination number given in parentheses, and bond type (single, double, etc.). For carbon, the hybridization state is given. Substructure in which the bond is found. The target bond is set in boldface. Where X is not specified, it denotes any element type. C# indicates any sp3 carbon atom, and C* denotes an sp3 carbon whose bonds, in addition to those specified in the linear formulation, are to C and H atoms only. d is the unweighted mean in Å units of all the values for that bond length found in the sample.
Substructure X2–As–As–X2 see CUDLOC (2.065), CUDLUI (2.041) see CODDEE, CODDII (2.346–3.203) X3–As–CH3 (X)2(C,O,S=)As–Csp3 As–Car in Ph4As+ (X)2(C,O,S=)As–Car X2–As–Csp3 X2–As–Car X2–As–Cl in AsF6– see OPIMAS (2.579, 2.590) X2–As–N–X2 see TPASSN (1.837) (X)2(O=)As–OH see ASAZOC, PHASOC01 (1.787–1.845) X3–As=O see BELNIP (2.350, 2.362) see BUTHAZ10 (2.124) X2–As–S X3–As=S see COSDIX, ESEARS (2.355–2.401) see BICGEZ, MESIAD (2.351–2.365) see ETEARS (2.571, 2.576) n = 5–7 in boron cages see CETTAW (2.041) see COFVOI (1.698) X2–B–B–X2 n = 5–7: B–C in cages n = 3–4: B–Csp3 not cages n = 4: B–Car n = 4: B–Car in Ph4B– n = 3: B–Car B(5)–Cl and B(3)–Cl
Column 4: Column 5: Column 6: Column 7: Column 8: Column 9:
m is the median in Å units of all values. σ is the standard deviation in the sample. q1 is the lower quartile for the sample (i.e., 25% of values are less than q1 and 75% exceed it). qu is the upper quartile for the sample. n is number of observations in the sample. Notes refer to the footnotes in Appendix 1.
References to special cases are given in a shorthand form and listed in Appendix 2. Further information on the method of analysis of the data may be found in the reference cited below. The table is reprinted with permission of the authors, the Royal Society of Chemistry, and the International Union of Crystallography.
Reference Frank H. Allen, Olga Kennard, David G. Watson, Lee Brammer, A. Guy Orpen, and Robin Taylor, J. Chem. Soc. Perkin Trans. II, S1–S19, 1987.
d 2.459
m 2.457
σ 0.011
q1 2.456
qu 2.466
n 8
1.903 1.927 1.905 1.922 1.963 1.956 2.268 1.678
1.907 1.929 1.909 1.927 1.965 1.956 2.256 1.676
0.016 0.017 0.012 0.016 0.017 0.015 0.039 0.020
1.893 1.921 1.897 1.908 1.948 1.944 2.247 1.659
1.916 1.937 1.912 1.934 1.978 1.964 2.281 1.695
12 16 108 36 6 41 10 36
1.858
1.858
0.029
1.839
1.873
19
1.710
1.712
0.017
1.695
1.726
6
1.661
1.661
0.016
1.652
1.667
9
2.275 2.083
2.266 2.082
0.032 0.004
2.247 2.080
2.298 2.086
14 9
1.775
1.773
0.031
1.763
1.786
688
1.701 1.967 2.017 1.716 1.597 1.606 1.643 1.556 1.751
1.700 1.971 2.008 1.717 1.599 1.607 1.643 1.552 1.751
0.014 0.014 0.031 0.020 0.022 0.012 0.006 0.015 0.011
1.691 1.954 1.990 1.707 1.585 1.596 1.641 1.546 1.743
1.712 1.979 2.044 1.728 1.611 1.615 1.645 1.566 1.761
8 7 15 96 29 41 16 24 14
Note
† †
† † †
† † 1
9-1
Section 09 book.indb 1
5/3/05 12:08:14 PM
Bond Lengths in Crystalline Organic Compounds
9-2 Bond B(4)–F B(4)–I B(4)–N(3) B(3)–N(3)
B(4)–O B(3)–O(2) B(n)–P B(4)–S B(3)–S Br–Br Br–C
– Br(2)–Cl Br–I Br–N Br–O Br–P Br–S(2) Br–S(3) Br–S(3)+ Br–SE Br–Si Br–Te
Csp3–Csp3
Section 09 book.indb 2
Substructure B(4)–Cl B–F (B neutral) B––F in BF4– see TMPBTI (2.220, 2.253) X3–B–N(=C)(X) in pyrazaboles X2–B–N–C2: all coplanar for τ(BN) > 30º see BOGSUL, BUSHAY, CILRUK (1.434–1.530) S2–B–N–X2 B––O in BO–4 for neutral B–O see Note 3 X2–B–O–X n = 4: B–P n = 3: see BUPSIB10 (1.892, 1.893) B(4)–S(3) B(4)–S(2) N–B–S2 (=X–)(N–)B–S see BEPZEB, TPASTB Br–C* Br–Csp3 (cyclopropane) Br–Csp2 Br–Car (mono-Br + m.p-Br2) Br–Car (o-Br2) see TEACBR (2.362–2.402) see DTHIBR10 (2.646), TPHOSI (2.695) see NBBZAM (1.843) see CIYFOF see CISTED (2.366) see BEMLIO (2.206) see CIWYIQ (2.435, 2.453) see THINBR (2.321) see CIFZUM (2.508, 2.619) see BIZJAV (2.284) In Br6Te2– see CUGBAH (2.692–2.716) Br–Te(4) see BETUTE10 (3.079, 3.015) Br–Te(3) see BTUPTE (2.835) C#–CH2–CH3 (C#)2–CH–CH3 (C#)3–C–CH3 C#–CH2–CH2–C# (C#)2–CH–CH2–C# (C#)3–C–CH2–C# (C#)2–CH–CH–(C#)2 (C#)3–C–CH–(C#)2 (C#)3–C–C–(C#)3 C*–C* (overall) in cyclopropane (any subst.) in cyclobutane (any subst.) in cyclopentane (C,H-subst.) in cyclohexane (C,H-subst.) cyclopropyl-C* (exocyclic) cyclobutyl-C* (exocyclic) cyclopentyl-C* (exocyclic) cyclohexyl-C* (exocyclic) in cyclobutene (any subst.) in cyclopentene (C,H-subst.) in cyclohexene (C,H-subst.) in oxirane (epoxide) in aziridine
d 1.833 1.366 1.365
m 1.833 1.368 1.372
σ 0.013 0.017 0.029
q1 1.821 1.356 1.352
qu 1.843 1.375 1.390
n 22 25 84
1.611 1.549 1.404
1.617 1.552 1.404
0.013 0.015 0.014
1.601 1.536 1.389
1.625 1.560 1.408
8 10 40
1.447 1.468
1.443 1.468
0.013 0.022
1.435 1.453
1.470 1.479
14 24
1.367 1.922
1.367 1.927
0.024 0.027
1.349 1.900
1.382 1.954
35 10
1.930 1.896 1.806 1.851 2.542 1.966 1.910 1.883 1.899 1.875
1.927 1.896 1.806 1.854 2.548 1.967 1.910 1.881 1.899 1.872
0.009 0.004 0.010 0.013 0.015 0.029 0.010 0.015 0.012 0.011
1.925 1.893 1.799 1.842 2.526 1.951 1.900 1.874 1.892 1.864
1.934 1.899 1.816 1.859 2.551 1.983 1.914 1.894 1.906 1.884
10 6 28 10 4 100 8 31 119 8
1.581
1.581
0.007
1.574
1.587
4
Note
2
3
4 4 4 4 †
† † †
1.513 1.524 1.534 1.524 1.531 1.538 1.542 1.556 1.588 1.530 1.510 1.554 1.543 1.535 1.518 1.529 1.540 1.539 1.573 1.541 1.541 1.466 1.480
1.514 1.526 1.534 1.524 1.531 1.539 1.542 1.556 1.580 1.530 1.509 1.553 1.543 1.535 1.518 1.529 1.541 1.538 1.574 1.539 1.541 1.466 1.481
0.014 0.015 0.011 0.014 0.012 0.010 0.011 0.011 0.025 0.015 0.026 0.021 0.018 0.016 0.019 0.016 0.017 0.016 0.017 0.015 0.020 0.015 0.021
1.507 1.518 1.527 1.516 1.524 1.533 1.536 1.549 1.566 1.521 1.497 1.540 1.532 1.525 1.505 1.519 1.527 1.529 1.566 1.532 1.528 1.458 1.465
1.523 1.534 1.541 1.532 1.538 1.544 1.549 1.562 1.610 1.539 1.523 1.567 1.554 1.545 1.531 1.539 1.549 1.549 1.586 1.549 1.554 1.474 1.496
192 226 825 2459 1217 330 321 215 21 5777 888 679 1641 2814 366 376 956 2682 25 208 586 249 67
5,6 7 8
7 8
8
9 9
5/3/05 12:08:16 PM
Bond Lengths in Crystalline Organic Compounds Bond
Csp3–Csp2
Csp3–Csp2
Csp3–Car
Csp3–Csp1
Csp2–Csp2
Section 09 book.indb 3
Substructure in oxetane in azetidine oxiranyl-C* (exocyclic) aziridinyl-C* (exocyclic) CH3–C=C C#–CH2–C=C (C#)2–CH–C=C (C#)3–C–C=C C*–C=C (overall) C*–C=C (endocyclic) in cyclopropene in cyclobutene in cyclopentene in cyclohexene in cyclopentadiene in cyclohexa-1,3-diene C*–C=C (exocyclic): cyclopropenyl-C* cyclobutenyl-C* cyclopentenyl-C* cyclohexenyl-C* C*CH=O in aldehydes (C*)2–C=O in ketones in cyclobutanone in cyclopentanone acyclic and 6 + rings C*–COOH in carboxylic acids C*–COO– in carboxylate anions C*–C(=O)(–OC*) in acyclic esters in β-lactones in γ-lactones in δ-lactones cyclopropyl (C)–C=O in ketones, acids and esters C*–C(=O)(–NH2) in acyclic amides C*–C(=O)(–NHC*) in acyclic amides C*–C(=O)[–N(C*)2] in acyclic amides CH3–Car C#–CH2–Car (C#)2–CH–Car (C#)3–C–Car C*–Car (overall) cyclopropyl (C)–Car C*–C≡C C#–C≡C C*–C≡N cyclopropyl (C)–C≡N C=C–C=C (conjugated) (unconjugated) (overall) C=C–C=C–C=C C=C–C=C (endocyclic in TCNQ) C=C–C(=O)(–C*) (conjugated) (unconjugated) (overall) C=C–C(=O)–C=C in benzoquinone (C,H-subst. only) in benzoquinone (any subst.)
9-3 d 1.541 1.548 1.509 1.512 1.503 1.502 1.510 1.522 1.507
m 1.541 1.543 1.507 1.512 1.504 1.502 1.510 1.522 1.507
σ 0.019 0.018 0.018 0.018 0.011 0.013 0.014 0.016 0.015
q1 1.527 1.536 1.497 1.496 1.497 1.494 1.501 1.511 1.499
qu 1.557 1.558 1.519 1.526 1.509 1.510 1.518 1.533 1.517
n 16 22 333 13 215 483 564 193 1456
Note
1.509 1.513 1.512 1.506 1.502 1.504
1.508 1.512 1.512 1.505 1.503 1.504
0.016 0.018 0.014 0.016 0.019 0.017
1.500 1.500 1.502 1.495 1.490 1.491
1.516 1.525 1.521 1.516 1.515 1.517
20 50 208 391 18 56
10 8
1.478 1.489 1.504 1.511 1.510
1.475 1.483 1.506 1.511 1.510
0.012 0.015 0.012 0.013 0.008
1.470 1.479 1.495 1.502 1.501
1.485 1.496 1.512 1.519 1.518
7 11 115 292 7
10 8
1.511 1.529 1.514 1.509 1.502 1.520
1.511 1.530 1.514 1.509 1.502 1.521
0.015 0.016 0.016 0.016 0.014 0.011
1.501 1.514 1.505 1.499 1.495 1.516
1.521 1.545 1.523 1.519 1.510 1.528
952 18 312 626 176 57
11
1.497 1.519 1.512 1.504 1.486 1.514 1.506 1.505 1.506 1.510 1.515 1.527 1.513 1.490 1.466 1.472 1.470 1.444
1.496 1.519 1.512 1.502 1.485 1.512 1.505 1.505 1.507 1.510 1.515 1.530 1.513 1.490 1.465 1.472 1.469 1.447
0.018 0.020 0.015 0.013 0.018 0.016 0.012 0.011 0.011 0.009 0.011 0.016 0.014 0.015 0.010 0.012 0.013 0.010
1.484 1.500 1.501 1.495 1.474 1.506 1.498 1.496 1.501 1.505 1.508 1.517 1.505 1.479 1.460 1.464 1.463 1.436
1.509 1.538 1.521 1.517 1.497 1.526 1.515 1.517 1.513 1.516 1.522 1.539 1.521 1.503 1.469 1.481 1.479 1.451
553 4 110 27 105 32 78 15 454 674 363 308 1813 90 21 88 106 38
12 13 12 12 7 14 14 14
1.455 1.478 1.460 1.443 1.432
1.455 1.476 1.460 1.445 1.433
0.011 0.012 0.015 0.013 0.012
1.447 1.470 1.450 1.431 1.424
1.463 1.479 1.470 1.454 1.441
30 8 38 29 280
16,18 17,18
1.464 1.484 1.465
1.462 1.486 1.462
0.018 0.017 0.018
1.453 1.475 1.453
1.476 1.497 1.478
211 14 226
16,18 17,18
1.478 1.478
1.476 1.478
0.011 0.031
1.469 1.464
1.488 1.498
28 172
9 9
5
7 15 15 7b 7
18 19
5/3/05 12:08:18 PM
Bond Lengths in Crystalline Organic Compounds
9-4 Bond
Csp2–Car Csp2–Car
Csp2–Csp1 Car–Car Car–Csp1 Csp1–Csp1 Csp2=Csp2
Section 09 book.indb 4
Substructure non-quinonoid C=C–COOH C=C–COOC* C=C–COO– HOOC–COOH HOOC–COO– – OOC–COO– formal Csp2–Csp2 single bond in selected non-fused heterocycles: in 1H-pyrrole (C3–C4) in furan (C3–C4) in thiophene (C3–C4) in pyrazole (C3–C4) in isoxazole (C3–C4) in furazan (C3–C4) in furoxan (C3–C4) C=C–Car (conjugated) (overall) cyclopropenyl (C=C)–Car Car–C(=O)–C* Car–C(=O)–Car Car–COOH Car–C(=O)(–OC*) Car–COO– Car–C(–O)–NH2 Car–C=N–C# (conjugated) (unconjugated) (overall) in indole (C3–C3a) C=C–C≡C C=C–C≡N in TCNQ in biphenyls (ortho subst. all H) (≥1 non-H ortho-subst.) Car–C≡C Car–C≡N C≡C–C=C C*–CH=CH2 (C*)2–C=CH2 C*–CH=CH–C* (cis) (trans) (overall) (C*)2–C=CH–C* (C*2–C=C–(C*)2 (C*,H)2–C=C–(C*,H)2 (overall) in cyclopropene (any subst.) in cyclobutene (any subst.) in cyclopentene (C,H-subst.) in cyclohexene (C,H-subst.) C=C=C (allenes, any subst.) C=C–C=C (C,H subst., conjugated) C=C–C=C–C=C (C,H subst., conjugated) C=C–Car (C,H subst., conjugated) C=C in cyclopenta-1,3-diene (any subst.) C=C in cyclohexa-1,3-diene (any subst.) in C=C–C=O (C,H subst., conjugated) (C,H subst., unconjugated)
d 1.456 1.475 1.488 1.502 1.538 1.549 1.564
m 1.455 1.476 1.489 1.499 1.537 1.552 1.559
σ 0.012 0.015 0.014 0.017 0.007 0.009 0.022
q1 1.447 1.461 1.478 1.488 1.535 1.546 1.554
qu 1.464 1.488 1.497 1.510 1.541 1.553 1.568
n 28 22 113 11 9 13 9
Note
1.412 1.423 1.424 1.410 1.425 1.428 1.417
1.410 1.423 1.425 1.412 1.425 1.427 1.417
0.016 0.016 0.015 0.016 0.016 0.007 0.006
1.401 1.412 1.415 1.400 1.413 1.422 1.412
1.427 1.433 1.433 1.418 1.438 1.435 1.422
29 62 40 20 9 6 14
1.470 1.488 1.483 1.447 1.488 1.480 1.484 1.487 1.504 1.500
1.470 1.490 1.483 1.448 1.489 1.481 1.485 1.487 1.509 1.503
0.015 0.012 0.015 0.006 0.016 0.017 0.014 0.012 0.014 0.020
1.463 1.480 1.472 1.441 1.478 1.468 1.474 1.480 1.495 1.498
1.480 1.496 1.494 1.452 1.500 1.494 1.491 1.494 1.512 1.510
37 87 124 8 84 58 75 218 26 19
16,18 17,18
1.476 1.491 1.485 1.434 1.431 1.427 1.487 1.490 1.434 1.443 1.377 1.299 1.321
1.478 1.490 1.487 1.434 1.427 1.427 1.488 1.491 1.436 1.444 1.378 1.300 1.321
0.014 0.008 0.013 0.011 0.014 0.010 0.007 0.010 0.006 0.008 0.012 0.027 0.013
1.466 1.485 1.481 1.428 1.425 1.420 1.484 1.486 1.430 1.436 1.374 1.280 1.313
1.486 1.496 1.493 1.439 1.441 1.433 1.493 1.495 1.437 1.448 1.384 1.311 1.328
27 48 75 40 11 280 30 212 37 31 21 42 77
16 17
1.317 1.312 1.316 1.326 1.331 1.322 1.294 1.335 1.323 1.326 1.307 1.330 1.345 1.339 1.341 1.332
1.318 1.311 1.317 1.328 1.330 1.323 1.288 1.335 1.324 1.325 1.307 1.330 1.345 1.340 1.341 1.332
0.013 0.011 0.015 0.011 0.009 0.014 0.017 0.019 0.013 0.012 0.005 0.014 0.012 0.011 0.017 0.013
1.310 1.304 1.309 1.319 1.326 1.315 1.284 1.324 1.314 1.318 1.303 1.322 1.337 1.334 1.328 1.323
1.323 1.320 1.323 1.334 1.334 1.331 1.302 1.347 1.331 1.334 1.310 1.338 1.350 1.346 1.356 1.341
106 19 127 168 89 493 10 25 104 196 18 76 58 124 18 56
1.340 1.331
1.340 1.330
0.013 0.008
1.332 1.326
1.348 1.339
211 14
10
7b 19
5 10 8
16 16 16
16,18 17,18
5/3/05 12:08:20 PM
Bond Lengths in Crystalline Organic Compounds Bond
Car Car
Car Car
Csp1≡Csp1
Csp3–Cl
Section 09 book.indb 5
Substructure (C,H subst., overall) in cyclohexa-2,5-dien-1-ones in p-benzoquinones (C*,H subst.) (any subst.) in TCNQ (endocyclic) (exocyclic) C=C–OH in enol tautomers in heterocycles (any subst.): 1H-pyrrole (C2–C3, C4–C5) furan (C2–C3, C4–C5) thiophene (C2–C3, C4–C5) pyrazole (C4–C5) imidazole (C4–C5) isoxazole (C4–C5) indole (C2–C3) in phenyl rings with C*, H subst. only H–C C–H C*–C C–H C*–C C–C* C C (overall) F–C C–F Cl–C C–Cl in naphthalene (D2h, any subst.) C1–C2 C2–C3 C1–C8a C4a–C8a in anthracene (D2h, any subst.) C1–C2 C2–C3 C1–C9a C4a–C9a C9–C9a in pyridine (C,H subst.) (any subst.) in pyridinium cation (N+ –H; C,H subst. on C) C2–C3 C3–C4 (N+ –X; C,H subst. on C) C2–C3 C3–C4 in pyrazine (H subst. on C) (any subst. on C) in pyrimidine (C,H subst. on C) X–C≡C–X C,H–C≡C–C,H in C≡C–C(sp2,ar) in C≡C–C≡C in CH≡C–C# Omitting 1,2-dichlorides: C–CH2–Cl C2–CH–Cl C3–C–Cl X–CH2–Cl (X = C,H,N,O) X2–CH–Cl (X = C,H,N,O) X3–C–Cl (X = C,H,N,O) X2–C–Cl2 (X = C,H,N,O) X–C–Cl3 (X = C,H,N,O)
9-5 d 1.340 1.329
m 1.339 1.327
σ 0.013 0.011
q1 1.332 1.321
qu 1.348 1.335
n 226 28
Note
1.333 1.349
1.337 1.339
0.011 0.030
1.325 1.330
1.338 1.364
14 86
1.352 1.392 1.362
1.353 1.391 1.360
0.010 0.017 0.020
1.345 1.379 1.349
1.358 1.405 1.370
142 139 54
1.375 1.341 1.362 1.369 1.360 1.341 1.364
1.377 1.342 1.359 1.372 1.361 1.336 1.363
0.018 0.021 0.025 0.019 0.014 0.012 0.012
1.361 1.329 1.346 1.362 1.352 1.331 1.355
1.388 1.351 1.377 1.383 1.367 1.355 1.371
58 125 60 20 44 9 40
1.380 1.387 1.397 1.384 1.372 1.388
1.381 1.388 1.397 1.384 1.374 1.389
0.013 0.010 0.009 0.013 0.011 0.014
1.372 1.382 1.392 1.375 1.366 1.380
1.388 1.393 1.403 1.391 1.380 1.398
2191 891 182 3264 84 152
1.364 1.406 1.420 1.422
1.364 1.406 1.419 1.424
0.014 0.014 0.012 0.011
1.356 1.397 1.412 1.417
1.373 1.415 1.426 1.429
440 218 440 109
1.356 1.410 1.430 1.435 1.400 1.379 1.380
1.356 1.410 1.430 1.436 1.402 1.381 1.380
0.009 0.010 0.006 0.007 0.009 0.012 0.015
1.350 1.401 1.426 1.429 1.395 1.371 1.371
1.360 1.416 1.434 1.440 1.406 1.387 1.389
56 34 56 34 68 276 537
1.373 1.379
1.375 1.380
0.012 0.011
1.368 1.371
1.380 1.388
30 30
1.373 1.383 1.379 1.405 1.387 1.183 1.181 1.189 1.192 1.174
1.372 1.385 1.377 1.405 1.389 1.183 1.181 1.193 1.192 1.174
0.019 0.019 0.010 0.024 0.018 0.014 0.014 0.010 0.010 0.011
1.362 1.372 1.370 1.388 1.379 1.174 1.173 1.181 1.187 1.167
1.382 1.394 1.388 1.420 1.400 1.193 1.192 1.195 1.197 1.180
151 151 10 60 28 119 104 38 42 42
15 15 15 15 15
1.790 1.803 1.849 1.790 1.805 1.843 1.779 1.768
1.790 1.802 1.856 1.791 1.803 1.838 1.776 1.765
0.007 0.003 0.011 0.011 0.014 0.014 0.015 0.011
1.783 1.800 1.837 1.783 1.800 1.835 1.769 1.761
1.795 1.807 1.858 1.797 1.812 1.858 1.790 1.776
13 8 5 37 26 7 18 33
4 4 4 4 4 4 4 4
19 19
4 4
20 20
5/3/05 12:08:22 PM
Bond Lengths in Crystalline Organic Compounds
9-6 Bond
Csp2–Cl
Car–Cl Csp1Cl Csp3–F
Csp2–F Car–F Csp3–H
Csp2–H Car–H Csp3–I Car–I Csp3–N(4)
Csp3–N(3)
Section 09 book.indb 6
Substructure Cl–CH(–C)–CH(–C)–Cl Cl–C(–C2)–C(–C2)–Cl cyclopropyl–Cl C=C–Cl (C,H,N,O subst. on C) C=C–Cl2 (C,H,N,O subst. on C) Cl–C=C–Cl Car–Cl (mono–Cl + m,p-Cl2) Car–Cl (o–Cl2) see HCLENE10 (1.634, 1.646) Omitting 1,2-difluorides C–CH2–F and C2–CH–F C3–C–F (C*,H)2–C–F2 C*–C–F3 F–C*–C*–F X3–C–F (X = C,H,N,O) X2–C–F2 (X = C,H,N,O) X–C–F3 (X = C,H,N,O) F–C(–X)2–C(–X)2–F (X = C,H,N,O) F–C(–X)2–NO2 (X = any subst.) C=C–F (C,H,N,O subst. on C) Car–F (mono-F + m,p-F2) Car–F (o-F2) C–C–H3 (methyl) C2–C–H2 (primary) C3–C–H (secondary) C2,3–C–H (primary and secondary) X–C–H3 (methyl) X2–C–H2 (primary) X3–C–H (secondary) X2,3–C–H (primary and secondary) C–C=C–H Car–H C*–I Car–I C*–NH3+ (C*)2–NH2+ (C*)3–NH+ (C*)4–N+ C*–N+ (overall) C*–N+ in N-subst. pyridinium C*–NH2 (Nsp3: pyramidal) (C*)2–NH (Nsp3: pyramidal) (C*)3–N (Nsp3: pyramidal) C*–Nsp3 (overall) Csp3–Nsp3 in aziridine in azetidine in tetrahydropyrrole in piperidine Csp3–Nsp2 (N planar) in: acyclic amides C*–NH–C=O β-lactams C*–N(–X)–C=O (endo) γ-lactams C*–NH–C=O (endo) C*–N(–C*)–C=O (endo) C*–N(–C*)–C=O (exo) δ-lactams C*–NH–C=O (endo) C*–N(–C*)–C=O (endo) C*–N(–C*)–C=O (exo)
d 1.793 1.762 1.755 1.734 1.720 1.713 1.739 1.720
m 1.793 1.760 1.756 1.729 1.716 1.711 1.741 1.720
σ 0.013 0.010 0.011 0.019 0.013 0.011 0.010 0.010
q1 1.786 1.757 1.749 1.719 1.708 1.705 1.734 1.713
qu 1.800 1.765 1.763 1.748 1.729 1.720 1.745 1.717
n 66 54 64 63 20 80 340 364
Note 4 4
1.399 1.428 1.349 1.336 1.371 1.386 1.351 1.322 1.373 1.320 1.340 1.363 1.340 1.059 1.092 1.099 1.093 1.066 1.092 1.099 1.094 1.077 1.083 2.162 2.095 1.488 1.494 1.502 1.510 1.499 1.485 1.469 1.469 1.469 1.469
1.399 1.431 1.347 1.334 1.374 1.389 1.349 1.323 1.374 1.319 1.340 1.362 1.340 1.061 1.095 1.097 1.095 1.074 1.095 1.099 1.096 1.079 1.083 2.159 2.095 1.488 1.493 1.502 1.509 1.498 1.484 1.470 1.467 1.468 1.468
0.017 0.009 0.012 0.007 0.007 0.033 0.013 0.015 0.009 0.009 0.013 0.008 0.009 0.030 0.013 0.004 0.012 0.028 0.012 0.007 0.011 0.012 0.011 0.015 0.015 0.013 0.016 0.015 0.020 0.018 0.009 0.010 0.012 0.014 0.014
1.389 1.421 1.342 1.330 1.362 1.373 1.342 1.314 1.362 1.312 1.334 1.357 1.336 1.039 1.088 1.095 1.089 1.049 1.088 1.095 1.091 1.074 1.080 2.149 2.089 1.482 1.484 1.491 1.496 1.488 1.477 1.462 1.461 1.460 1.460
1.408 1.435 1.356 1.344 1.375 1.408 1.356 1.332 1.377 1.327 1.346 1.368 1.344 1.083 1.099 1.103 1.100 1.087 1.099 1.103 1.100 1.085 1.087 2.179 2.104 1.495 1.503 1.512 1.523 1.510 1.490 1.474 1.477 1.476 1.476
25 11 58 12 26 70 58 309 30 18 34 38 167 83 100 14 118 160 230 117 348 14 218 15 51 298 249 509 319 1370 32 19 152 1042 1201
1.472 1.484 1.475 1.473
1.471 1.481 1.473 1.473
0.016 0.018 0.016 0.013
1.464 1.472 1.464 1.460
1.482 1.495 1.483 1.479
134 21 66 240
1.454 1.464
1.451 1.465
0.011 0.012
1.446 1.458
1.461 1.475
78 23
23 14 13
1.457 1.462 1.458
1.458 1.461 1.456
0.011 0.010 0.014
1.449 1.453 1.448
1.465 1.466 1.465
20 15 15
13 13 13
1.478 1.479 1.468
1.472 1.476 1.471
0.016 0.007 0.009
1.467 1.475 1.462
1.491 1.482 1.477
6 15 15
14 14 14
4 4 4 4 4
4 4 4 4 4 4 4 4 4 4 4 4 21 21 21 21 21 21 21 21 21 21 4 4
22 5,22 5,22
5/3/05 12:08:24 PM
Bond Lengths in Crystalline Organic Compounds Bond
Csp3–N(2) Csp2–N(3)
Csp2–N(2) Car–N(4) Car–N(3)
Car–N(3)
Section 09 book.indb 7
Substructure nitro compounds (1,2-dinitro omitted): C–CH2–NO2 C2–CH–NO2 C3–C–NO2 C2–C–(NO2)2 1,2-dinitro: NO2–C*–C*–NO2 C#–N=N C*–N=C–Car C=C–NH2 Nsp2 planar C=C–NH–C# Nsp2 planar C=C–N–(C#)2 Nsp2 planar Nsp3 pyramidal Csp2–Nsp2 (N planar) in: acyclic amides NH2–C=O C*–NH–C=O (C*)2–N–C=O β-lactams C*–NH–C=O γ-lactams C*–NH–C=O C*–N(–C*)–C=O δ-lactams C*–NH–C=O (C*)–N(–C*)–C=O peptides C#–N(–X)–C(–C#)(=O) ureas (NH2)2–C=O (C#–NH)2–C=O [(C#)n–N]2–C=O thioureas (X2N)2–C=S imides [C#–C(=O)]2–NH [C#–C(=O)]2–N–C# [Csp2–C(=O)]2–N–C# [Csp2–C(=O)]2–N–Csp2 guanidinium [C–(NH2)3]+ (unsubst.) (any subst.) in heterocyclic systems (any subst.) 1H-pyrrole (N1–C2, N1–C5) indole (N1–C2) pyrazole (N1–C5) imidazole (N1–C2) imidazole (N1–C5) in imidazole (N3–C4) Car–N+–(C,H)3 Car–NH2 (Nsp2: planar) (Nsp3: pyramidal) (overall) Car–NH–C# (Nsp2: planar) (Nsp3: pyramidal) (overall) Car–N–(C#)2 (Nsp2: planar) (Nsp3: pyramidal) (overall) in indole (N1–C7a) Car–NO2
9-7 d
m
σ
q1
qu
n
Note
1.485 1.509 1.533 1.537 1.552 1.493 1.465 1.336 1.339
1.483 1.509 1.533 1.536 1.550 1.493 1.468 1.344 1.340
0.020 0.011 0.013 0.016 0.023 0.020 0.011 0.017 0.016
1.478 1.502 1.530 1.525 1.536 1.477 1.461 1.317 1.327
1.502 1.511 1.539 1.550 1.572 1.506 1.472 1.348 1.351
8 12 17 19 32 54 75 10 17
1.355 1.416
1.358 1.418
0.014 0.018
1.341 1.397
1.363 1.432
22 18
23 22 23
1.325 1.334 1.346 1.385
1.323 1.333 1.342 1.388
0.009 0.011 0.011 0.019
1.318 1.326 1.339 1.374
1.331 1.343 1.356 1.396
32 78 5 23
14 14 14 13
1.331 1.347
1.331 1.344
0.011 0.014
1.326 1.335
1.337 1.359
20 15
13 13
1.334 1.352 1.333
1.334 1.353 1.334
0.006 0.010 0.013
1.330 1.344 1.326
1.339 1.356 1.340
6 15 380
14 14 24
1.334 1.347 1.363 1.346
1.334 1.345 1.359 1.343
0.008 0.010 0.014 0.023
1.329 1.341 1.354 1.328
1.339 1.354 1.370 1.361
48 26 40 192
25,26 25 25,27
1.376 1.389 1.396 1.409 1.321 1.328
1.377 1.383 1.396 1.406 1.320 1.325
0.012 0.017 0.010 0.020 0.008 0.015
1.369 1.376 1.389 1.391 1.314 1.317
1.383 1.404 1.403 1.419 1.327 1.333
64 38 46 28 39 140
1.372 1.370 1.357 1.349 1.370 1.376 1.465
1.374 1.370 1.359 1.349 1.370 1.377 1.466
0.016 0.012 0.012 0.018 0.010 0.011 0.007
1.363 1.364 1.347 1.338 1.365 1.369 1.461
1.384 1.377 1.365 1.358 1.377 1.384 1.470
58 40 20 44 44 44 23
1.355 1.394 1.375
1.360 1.396 1.377
0.020 0.011 0.025
1.340 1.385 1.363
1.372 1.403 1.394
33 25 98
23 22 28
1.353 1.419 1.380
1.353 1.423 1.364
0.007 0.017 0.032
1.347 1.412 1.353
1.359 1.432 1.412
16 8 31
23 22 28
1.371 1.426 1.390 1.372 1.468
1.370 1.425 1.385 1.372 1.469
0.016 0.011 0.030 0.007 0.014
1.363 1.421 1.366 1.367 1.460
1.382 1.431 1.420 1.376 1.476
41 22 69 40 556
23 22 28
23 23
5/3/05 12:08:26 PM
Bond Lengths in Crystalline Organic Compounds
9-8 Bond Car–N(2) Csp2=N(3) Csp2=N(2)
Car N(3)
Car N(2)
Csp1≡N(2) Csp1≡N(1)
Csp3–O(2)
Section 09 book.indb 8
Substructure Car–N=N in furoxan (+N2=C3) Car–C=N–C# (C,H)2–C=N–OH in oximes S–C=N–X in pyrazole (N2=C3) in imidazole (C2=N3) in isoxazole (N2=C3) in furazan (N2=C3, C4=N5) in furoxan (C4=N5) C N+–H (pyrimidinium) C N+–C* (pyrimidinium) C N+–O– (pyrimidinium) C N (pyridine) C N (pyrazine) C N C (pyrimidine) N C N (pyrimidine) C N (pyrimidine) (overall) in any 6-membered N-containing aromatic ring: H–C N C–H H–C N C–C* C*–C N C–C* C N C (overall) X–S–N≡C– (isothiocyanide) C*–C≡N C=C–C≡N in TCNQ Car–C≡N X–C≡N (S–C≡N)– in alcohols CH3–OH C–CH2–OH C2–CH–OH C3–C–OH C*–OH (overall) in dialkyl ethers CH3–O–C* C–CH2–O–C* C2–CH–O–C* C3–C–O–C* C*–O–C* (overall) in aryl alkyl ethers CH3–O–Car C–CH2–O–Car C2–CH–O–Car C3–C–O–Car C*–O–Car (overall) in alkyl esters of carboxylic acids CH3–O–C(=O)–C* C–CH2–O–C(=O)–C* C2–CH–O–C(=O)–C* C3–C–O–C(=O)–C* C*–O–C(=O)–C* (overall) in alkyl esters of α,β-unsaturated acids: C*–O–C(=O)–C=C (overall) in alkyl esters of benzoic acid C*–O–C(=O)–C(phenyl) (overall) in ring systems oxirane (epoxides) (any subst.) oxetane (any subst.) tetrahydrofuran (C,H subst.)
d 1.431 1.316 1.279 1.281 1.302 1.329 1.313 1.314 1.298 1.304 1.335 1.346 1.362 1.337 1.336 1.339 1.333 1.336
m 1.435 1.316 1.279 1.280 1.302 1.331 1.314 1.315 1.299 1.306 1.334 1.346 1.359 1.338 1.335 1.338 1.335 1.337
σ 0.020 0.009 0.008 0.013 0.021 0.014 0.011 0.009 0.006 0.008 0.015 0.010 0.013 0.012 0.022 0.015 0.013 0.014
q1 1.422 1.311 1.275 1.273 1.285 1.315 1.307 1.305 1.294 1.300 1.325 1.340 1.353 1.330 1.319 1.333 1.326 1.331
qu 1.442 1.324 1.285 1.288 1.319 1.339 1.319 1.320 1.303 1.308 1.342 1.352 1.369 1.344 1.347 1.342 1.337 1.339
n 26 14 75 67 36 20 44 9 12 14 30 64 56 269 120 28 28 56
1.334 1.339 1.345 1.336 1.144 1.136 1.144 1.138 1.144 1.155
1.334 1.341 1.345 1.337 1.147 1.137 1.144 1.138 1.141 1.156
0.014 0.013 0.008 0.014 0.006 0.010 0.008 0.007 0.012 0.012
1.327 1.336 1.342 1.329 1.140 1.131 1.139 1.133 1.138 1.147
1.341 1.345 1.348 1.344 1.148 1.142 1.149 1.143 1.151 1.165
146 38 24 204 6 140 284 31 10 14
1.413 1.426 1.432 1.440 1.432
1.414 1.426 1.431 1.440 1.431
0.018 0.011 0.011 0.012 0.013
1.395 1.420 1.425 1.432 1.424
1.425 1.431 1.439 1.449 1.441
17 75 266 106 464
1.416 1.426 1.429 1.452 1.426
1.418 1.424 1.430 1.450 1.425
0.016 0.011 0.010 0.011 0.019
1.405 1.418 1.420 1.445 1.414
1.426 1.435 1.437 1.458 1.437
110 34 53 39 236
1.424 1.431 1.447 1.470 1.429
1.424 1.430 1.446 1.469 1.427
0.012 0.013 0.020 0.018 0.018
1.417 1.422 1.435 1.456 1.419
1.431 1.438 1.466 1.483 1.436
616 188 58 55 917
1.448 1.452 1.460 1.477 1.450
1.449 1.453 1.460 1.475 1.451
0.010 0.009 0.010 0.008 0.014
1.442 1.445 1.454 1.472 1.442
1.455 1.458 1.465 1.484 1.459
200 32 78 6 314
1.453
1.452
0.013
1.444
1.459
112
1.454
1.454
0.012
1.446
1.463
219
1.446 1.463 1.442
1.446 1.460 1.441
0.014 0.015 0.017
1.438 1.451 1.430
1.456 1.474 1.451
498 16 154
Note
19
29
5 29
12,29
9
5/3/05 12:08:28 PM
Bond Lengths in Crystalline Organic Compounds Bond Csp3–O(2)
Csp2–O(2)
Section 09 book.indb 9
Substructure tetrahydropyran (C,H subst.) β-lactones: C*–O–C(=O) γ-lactones: C*–O–C(=O) δ-lactones: C*–O–C(=O) O–C–O system in gem-diols, and pyranose and furanose sugars: HO–C*–OH C5–O5–C1–O1H in pyranoses O1 axial (α): C5–O5 O5–C1 C1–O1 O1 equatorial (β): C5–O5 O5–C1 C1–O1 α + β (overall): C5–O5 O5–C1 C1–O1 C4–O4–C1–O1H in furanoses (overall values) C4–O4 O4–C1 C1–O1 C5–O5–C1–O1–C* in pyranoses O1 axial (α): C5–O5 O5–C1 C1–O1 O1–C* O1 equatorial (β): C5–O5 O5–C1 C1–O1 O1–C* α + β (overall): C5–O5 O5–C1 C1–O1 O1–C* C4–O4–C1–O1–C* in furanoses (overall values) C4–O4 O4–C1 C1–O1 O1–C* Miscellaneous: C#–O–SiX3 C*–O–SO2–C in enols: C=C–OH in enol esters: C=C–O–C* in acids: C*–C(=O)–OH C=C–C(=O)–OH Car–C(=O)–OH in esters: C*–C(=O)–O–C* C=C–C(=O)–O–C* Car–C(=O)–O–C* C*–C(=O)–O–C=C C*–C(=O)–O–C=C
9-9 d 1.441 1.492 1.464 1.461
m 1.442 1.494 1.464 1.464
σ 0.015 0.010 0.012 0.017
q1 1.431 1.481 1.455 1.452
qu 1.451 1.501 1.473 1.473
n 22 4 110 27
1.397
1.401
0.012
1.388
1.405
18
1.439 1.427 1.403
1.440 1.426 1.400
0.008 0.012 0.012
1.432 1.421 1.391
1.445 1.432 1.412
29 29 29
1.435 1.430 1.393
1.436 1.431 1.393
0.008 0.010 0.007
1.429 1.424 1.386
1.440 1.436 1.399
17 17 17
1.439 1.430 1.401
1.440 1.429 1.399
0.008 0.012 0.011
1.432 1.421 1.392
1.446 1.436 1.407
60 60 60
1.442 1.432 1.404
1.446 1.432 1.405
0.012 0.012 0.013
1.436 1.421 1.397
1.449 1.443 1.409
18 18 18
1.439 1.417 1.409 1.435
1.438 1.417 1.409 1.435
0.010 0.009 0.014 0.013
1.433 1.410 1.401 1.427
1.446 1.424 1.417 1.443
67 67 67 67
1.434 1.424 1.390 1.437
1.435 1.424 1.390 1.438
0.006 0.008 0.011 0.013
1.429 1.418 1.381 1.428
1.439 1.431 1.400 1.445
39 39 39 39
1.436 1.419 1.402 1.436
1.436 1.419 1.403 1.436
0.009 0.011 0.016 0.013
1.431 1.412 1.391 1.428
1.442 1.426 1.413 1.445
126 126 126 126
1.443 1.421 1.410 1.439
1.445 1.418 1.409 1.437
0.013 0.012 0.014 0.014
1.429 1.413 1.401 1.429
1.453 1.431 1.420 1.449
23 23 23 23
1.416 1.465 1.333 1.354
1.416 1.461 1.331 1.353
0.017 0.014 0.017 0.016
1.405 1.454 1.324 1.341
1.428 1.475 1.342 1.363
29 33 53 40
1.308 1.293 1.305
1.311 1.295 1.311
0.019 0.019 0.020
1.298 1.279 1.291
1.320 1.307 1.317
174 22 75
1.336 1.332 1.337 1.362 1.407
1.337 1.331 1.335 1.359 1.405
0.014 0.011 0.013 0.018 0.017
1.328 1.324 1.329 1.351 1.394
1.346 1.339 1.344 1.374 1.420
551 112 219 26 26
Note 16 12 12 30,31
12,29 12
5/3/05 12:08:30 PM
Bond Lengths in Crystalline Organic Compounds
9-10 Bond
Car–O(2) Car–O(2) Csp2=O(1)
Csp3–P(4)
Section 09 book.indb 10
Substructure C*–C(=O)–O–Car in anhydrides: O=C–O–C=O in ring systems: furan (O1–C2, O1–C5) isoxazole (O1–C5) β-lactones: C*–C(=O)–O–C* γ-lactones: C*–C(=O)–O–C* δ-lactones: C*–C(=O)–O–C* in phenols: Car–OH in aryl alkyl ethers: Car–O–C* in diaryl ethers: Car–O–Car in esters: Car–O–C(=O)–C* in aldehydes and ketones: C*–CH=O (C*)2–C=O (C#)2–C=O in cyclobutanones in cyclopentanones in cyclohexanones C=C–C=O (C=C)2–C=O Car–C=O (Car)2–C=O C=O in benzoquinones delocalized double bonds in carboxylate anions: H–C O2– (formate) C*–C O2– C=C–C O2– Car–C O2– HOOC–C O2– (hydrogen oxalate) – O2 C–C O2– (oxalate) in carboxylic acids (X–COOH) C*–C(=O)–OH C=C–C(=O)–OH Car–C(=O)–OH in esters: C*–C(=O)–O–C* C=C–C(=O)–O–C* Car–C(=O)–O–C* C*–C(=O)–O–C=C C*–C(=O)–O–Car in anhydrides: O=C–O–C=O in β-lactones: C*–C(=O)–O–C* γ-lactones: C*–C(=O)–O–C* δ-lactones: C*–C(=O)–O–C* in amides: NH2–C(–C*)=O (C*–)(C*,H–)N–C(–C*)=O β-lactams: C*–NH–C=O γ-lactams: C*–NH–C=O C*–N(–C*)–C=O δ-lactams: C*–NH–C=O C*–N(–C*)–C=O in ureas: (NH)2)2–C=O (C#–NH)2–C=O [(C#)n–N]2–C=O C3–P+–C* C2–P(=O)–CH3
d 1.360 1.386
m 1.359 1.386
σ 0.011 0.011
q1 1.355 1.379
qu 1.367 1.393
n 40 70
Note 12
1.368 1.354 1.359 1.350 1.339 1.362 1.370 1.384 1.401
1.369 1.354 1.359 1.349 1.339 1.364 1.370 1.381 1.401
0.015 0.010 0.013 0.012 0.016 0.015 0.011 0.014 0.010
1.359 1.345 1.348 1.342 1.332 1.353 1.363 1.375 1.394
1.377 1.360 1.371 1.359 1.347 1.373 1.377 1.391 1.408
125 9 4 110 27 551 920 132 40
1.192 1.210
1.192 1.210
0.005 0.008
1.188 1.206
1.197 1.215
7 474
1.198 1.208 1.211 1.222 1.233 1.221 1.230 1.222
1.198 1.208 1.211 1.222 1.229 1.218 1.226 1.220
0.007 0.007 0.009 0.010 0.010 0.014 0.015 0.013
1.194 1.203 1.207 1.216 1.226 1.212 1.220 1.211
1.204 1.212 1.216 1.229 1.242 1.229 1.238 1.231
12 155 312 225 28 85 66 86
1.242 1.254 1.250 1.255 1.243 1.251
1.243 1.253 1.248 1.253 1.247 1.251
0.012 0.010 0.017 0.010 0.015 0.007
1.234 1.247 1.238 1.249 1.232 1.248
1.252 1.261 1.261 1.262 1.256 1.254
24 114 52 22 26 18
1.214 1.229 1.226
1.214 1.226 1.223
0.019 0.017 0.020
1.203 1.218 1.211
1.224 1.237 1.241
175 22 75
1.196 1.199 1.202 1.190 1.187 1.187 1.193 1.201 1.205
1.196 1.198 1.201 1.190 1.188 1.187 1.193 1.202 1.207
0.010 0.009 0.009 0.014 0.011 0.010 0.006 0.009 0.008
1.190 1.193 1.196 1.184 1.181 1.184 1.187 1.196 1.201
1.202 1.203 1.207 1.198 1.195 1.193 1.198 1.206 1.209
551 113 218 26 40 70 4 109 27
13 12 12
1.234 1.231 1.198
1.233 1.231 1.200
0.012 0.012 0.012
1.225 1.224 1.193
1.243 1.238 1.204
32 378 23
14 14 13
1.235 1.225
1.235 1.226
0.008 0.011
1.232 1.217
1.240 1.233
20 15
13 13
1.240 1.233
1.241 1.233
0.003 0.007
1.237 1.229
1.243 1.239
6 15
14 14
1.256 1.241 1.230 1.800 1.791
1.256 1.237 1.230 1.802 1.790
0.007 0.011 0.007 0.015 0.006
1.249 1.235 1.224 1.790 1.786
1.261 1.245 1.234 1.812 1.795
24 13 20 35 10
25,26 25 25,27 33
13 12 12 29,32 12
5
12 12 12
5/3/05 12:08:32 PM
Bond Lengths in Crystalline Organic Compounds Bond
Csp3–P(3) Car–P(4)
Car–P(3) Csp3–S(4)
Csp3–S(3)
Csp3–S(2) Csp3–S(2)
Csp2–S(2)
Car–S(4)
Car–S(3) Car–S(2)
Csp1–S(2) Csp1–S(1) Csp2=S(1)
Csp3–Se Csp2–Se(2) Car–Se(3) Csp3–Si(5) Csp3–Si(4)
Car–Si(4)
Section 09 book.indb 11
Substructure C2–P(=O)–CH2–C C2–P(=O)–CH–C2 C2–P(=O)–C–C3 C2–P(=O)–C* (overall) C2–P–C* C3–P+–Car C2–P(=O)–Car Ph3–P=N+=P–Ph3 C2–P–Car (N)2P–Car(P N aromatic) C*–SO2–C (C* = CH3 excluded) C*–SO2–C (overall) C*–SO2–O–X C*–SO2–N–X2 C*–S(=O)–C (C* = CH3 excluded) C*–S(=O)–C (overall) CH3–S+–X2 C*–S+–X2 (C* = CH3 excluded) C*–S+–X2 (overall) C*–SH CH3–S–C* C–CH2–S–C* C2–CH–S–C* C3–C–S–C* C*–S–C* (overall) in thiirane in thiirane: see ZCMXSP (1.817, 1.844) in tetrahydrothiophene in tetrahydrothiopyran C–CH2–S–S–X C3–C–S–S–X C*–S–S–X (overall) C=C–S–C* C=C–S–C=C (in tetrathiafulvalene) C=C–S–C=C (in thiophene) O=C–S–C# Car–SO2–C Car–SO2–O–X Car–SO2–N–X2 Car–S(=O)–C Car–S+–X2 Car–S–C* Car–S–Car Car–S–Car (in phenothiazine) Car–S–S–X N≡C–S–X (N≡C–S)– (C*)2–C=S: see IPMUDS (1.599) (Car)2–C=S: see CELDOM (1.611) (X)2–C=S (X = C,N,O,S) X2N–C(=S)–S–X (X2N)2–C=S (thioureas) N–C(S)2 C#–Se C=C–Se–C=C (in tetraselenafulvalene) Ph3–Se+ C#–Si––X4 CH3–Si–X3 C*–Si–X3 (C* = CH3 excluded) C*–Si–X3 (overall) Car–Si–X3
9-11 d 1.806 1.821 1.841 1.813 1.855 1.793 1.801 1.795 1.836 1.795 1.786 1.779 1.745 1.758 1.818 1.809 1.786 1.823 1.804 1.808 1.789 1.817 1.819 1.856 1.819 1.834
m 1.806 1.821 1.842 1.811 1.857 1.792 1.802 1.795 1.837 1.793 1.782 1.778 1.744 1.756 1.814 1.806 1.787 1.820 1.794 1.805 1.787 1.816 1.819 1.860 1.817 1.835
σ 0.009 0.009 0.008 0.017 0.019 0.011 0.011 0.008 0.010 0.011 0.018 0.020 0.009 0.018 0.024 0.025 0.007 0.016 0.025 0.010 0.008 0.013 0.011 0.011 0.019 0.025
q1 1.801 1.815 1.835 1.800 1.840 1.786 1.796 1.789 1.830 1.788 1.774 1.764 1.738 1.746 1.802 1.793 1.779 1.812 1.788 1.800 1.784 1.808 1.811 1.854 1.809 1.810
qu 1.813 1.828 1.847 1.822 1.870 1.800 1.807 1.800 1.844 1.803 1.797 1.790 1.754 1.773 1.829 1.820 1.792 1.834 1.820 1.819 1.794 1.824 1.825 1.863 1.827 1.858
n 45 15 14 84 23 276 98 197 102 43 75 94 7 17 69 88 21 18 41 6 9 92 32 26 242 4
1.827 1.823 1.823 1.863 1.833 1.751 1.741 1.712 1.762 1.763 1.752 1.758 1.790 1.778 1.773 1.768 1.764 1.777 1.679 1.630
1.826 1.821 1.820 1.865 1.828 1.755 1.741 1.712 1.759 1.764 1.750 1.759 1.790 1.779 1.774 1.767 1.764 1.777 1.683 1.630
0.018 0.014 0.014 0.015 0.022 0.017 0.011 0.013 0.018 0.009 0.008 0.013 0.010 0.010 0.009 0.010 0.008 0.012 0.026 0.014
1.811 1.812 1.813 1.848 1.818 1.740 1.733 1.703 1.747 1.756 1.749 1.749 1.783 1.771 1.765 1.762 1.760 1.767 1.645 1.619
1.837 1.832 1.832 1.878 1.848 1.764 1.750 1.722 1.778 1.769 1.756 1.765 1.798 1.787 1.779 1.774 1.769 1.785 1.698 1.641
20 24 41 11 59 61 88 60 20 96 27 106 41 10 44 158 48 47 10 14
1.671 1.660 1.681 1.720 1.970 1.893 1.930 1.874 1.857 1.888 1.863 1.868
1.675 1.660 1.684 1.721 1.967 1.895 1.929 1.876 1.857 1.887 1.861 1.868
0.024 0.016 0.020 0.012 0.032 0.013 0.006 0.015 0.018 0.023 0.024 0.014
1.656 1.648 1.669 1.709 1.948 1.882 1.924 1.859 1.848 1.872 1.850 1.857
1.689 1.674 1.693 1.731 1.998 1.902 1.936 1.884 1.869 1.905 1.875 1.878
245 38 96 20 21 32 13 9 552 124 681 178
Note
34 34
9
35
5/3/05 12:08:34 PM
Bond Lengths in Crystalline Organic Compounds
9-12 Bond Csp1–Si(4) Csp3–Te Car–Te Csp2=Te Cl–Cl Cl–I Cl–N Cl–O(1) Cl–P Cl–S
Cl–Se Cl–Si(4) Cl–Te
F–N(3) F–P(6) F–P(3) F–S
F–Si(6) F–Si(5) F–Si(4) F–Te H–N(4) H–N(3) H–O(2)
I–I I–N I–O I–P(3) I–S I–Te(4) N(4)–N(3) N(3)–N(3)
N(3)–N(2) N(2) N(2)
Section 09 book.indb 12
Substructure C≡C–Si–X3 C#–Te Car–Te see CEDCUJ (2.044) see PHASCL (2.306, 2.227) see CMBIDZ (2.563), HXPASC (2.541, 2.513), METAMM (2.552), BQUINI (2.416, 2.718) see BECTAE (1.743–1.757), BOGPOC (1.705) in CIO–4 (N)2P–Cl (N P aromatic) Cl–P (overall) Cl–S (overall) see also longer bonds in CILSAR (2.283), BIHXIZ (2.357), CANLUY (2.749)
d 1.837 2.158 2.116
m 1.840 2.159 2.115
σ 0.012 0.030 0.020
q1 1.824 2.128 2.104
qu 1.849 2.177 2.130
n 8 13 72
Note
1.414 1.997 2.008 2.072
1.419 1.994 2.001 2.079
0.026 0.015 0.035 0.023
1.403 1.989 1.986 2.047
1.431 2.004 2.028 2.091
252 46 111 6
2.072 2.020 2.520
2.075 2.012 2.515
0.009 0.015 0.034
2.066 2.007 2.493
2.078 2.036 2.537
5 5 22
1.406 1.579 1.495 1.640
1.404 1.587 1.497 1.646
0.016 0.025 0.016 0.011
1.395 1.563 1.481 1.626
1.416 1.598 1.510 1.649
9 72 10 6
1.527 1.694 1.636 1.588
1.528 1.701 1.639 1.587
0.004 0.013 0.035 0.014
1.524 1.677 1.602 1.581
1.530 1.703 1.657 1.599
24 6 10 24
37
1.033 1.009 0.967 0.967 1.015 2.917
1.036 1.010 0.969 0.970 1.017 2.918
0.022 0.019 0.010 0.010 0.017 0.011
1.026 0.997 0.959 0.959 1.001 2.907
1.045 1.023 0.974 0.974 1.031 2.927
87 95 63 73 16 6
21 21 21 21 21,38
2.144
2.144
0.028
2.127
2.164
6
see BIRGUE10, BIRHAL10, CTCNSE (2.234–2.851)
Cl–Si–X3 (monochloro) Cl2–Si–X2 and Cl3–Si–X Cl–Te in range 2.34–2.60 see also longer bonds in BARRIV, BOJPUL, CETUTE, EPHTEA, OPNTEC10 (2.73–2.94) F–N–C2 and F2–N–C in hexafluorophosphate, PF–6 (N)2P–F(N P aromatic) 43 observations in range 1.409–1.770 in a wide variety of environments; F–S(6) in F2–SO2–C2 (see FPSULF10, BETJOZ) F–S(4) in F2–S(=O)–N (see BUDTEZ) in SiF62 – F–Si––X4 F–Si–X3 see CUCPlZ (F–Te(6) = 1.942, 1.937), FPHTEL(F– Te(4) = 2.006) X3–N+–H X3–N–H in alcohols C*–O–H C#–O–H in acids O=C–O–H in I–3 see BZPRIB, CMBIDZ, HMTITI, HMTNTI, IFORAM, IODMAM (2.042–2.475) X–I–O(see BZPRIB, CAJMAB, IBZDAC11) for IO–6 see BOVMEE (1.829–1.912) see CEHKAB (2.490–2.493) sec DTHIBR10 (2.687), ISUREA10 (2.629), BZTPPI (3.251) I–Te–X3 X3–N+–N0–X2 (N0 planar) (C)(C,H)–Na–Nb(C)(C,H) Na, Nb pyramidal Na pyramidal, Nb planar Na, Nb planar overall in pyrazole (N1–N2) in pyridaznium (Nl+N2) N N (aromatic) in pyridazine with C,H as ortho substituents with N,Cl as ortho substituents
36
† 2.926 1.414
2.928 1.414
0.026 0.005
2.902 1.412
2.944 1.418
8 13
1.454 1.420 1.401 1.425 1.366 1.350
1.452 1.420 1.401 1.425 1.366 1.349
0.021 0.015 0.018 0.027 0.019 0.010
1.444 1.407 1.384 1.407 1.350 1.345
1.457 1.433 1.418 1.443 1.375 1.361
44 68 40 139 20 7
1.304 1.368
1.300 1.373
0.019 0.011
1.287 1.362
1.326 1.375
6 9
5,39 40 40 40
5/3/05 12:08:36 PM
Bond Lengths in Crystalline Organic Compounds Bond N(2)=N(2)
N(2)=N(1) N(3)–O(2)
N(3)–O(1) N(2)–O(2)
N(3)=O(1)
N(3)–P(4)
N(3)–P(3)
N(2)=P(4) N(2)=P(3) N(2) P(3)
N(3)–S(4)
N(3)–S(2)
N(2)–S(2) N(2) S(2) N(2)=S(2) N(3)–SE N(2)–Se N(2)=Se
Section 09 book.indb 13
Substructure C#–N=N–C# cis trans (overall) Car–N=N–Car X–N=N=N (azides) X–N=N=N (azides) (C,H)2–N–OH (Nsp2: planar) C2–N–O–C (Nsp3: pyramidal) (Nsp2: planar) in furoxan (N2–O1) (C)2N+–O– in pyridine N-oxides in furoxan (+N2–O6–) in oximes (C#)2–C=N–OH (H)(Csp2)–C=N–OH (C#)(Csp2)–C=N–OH (Csp2)2–C=N–OH (C,H)2–C=N–OH (overall) in furazan (O1–N2, O1–N5) in furoxan (O1–N5) in isoxazole (O1–N2) in nitrate ions NO3– in nitro groups C*–NO2 C#–NO2 Car–NO2 C–NO2 (overall) X2–P(=X)–NX2 Nsp2: planar Nsp3: pyramidal (overall) subsets of this group are: O2–P(=S)–NX2 C–P(=S)–(NX2)2 O–P(=S)–(NX2)2 P(=O)–(NX2)3 –NX–P(–X)–NX–P(–X)–(P2N2 ring) –NX–P(=S)–NX–P(=S)–(P2N2 ring) in P-substituted phosphazenes: (N)2P–N (amino) (aziridinyl) Ph3–P=N+=P–Ph3 Ph3–P=N–C,S N P aromatic in phosphazenes in P N S C–SO2–NH2 C–SO2–NH–C# C–SO2–N–C(#)2 C–S–NX2 Nsp2: planar (for Nsp3 pyramidal see MODIAZ: 1.765) X–S–NX2 Nsp2: planar C=N–S–X N S aromatic in P N S N=S in N=S=N and N=S=S see COJCUZ (1.830), DSEMOR10 (1.846, 1.852), MORTRS10 (1.841) see SEBZQI (1.805), NAPSEZ10 (1.809, 1.820) see CISMUM (1.790, 1.791)
9-13 d
m
σ
q1
qu
n
1.245 1.222 1.240 1.255 1.216 1.124 1.396
1.244 1.222 1.241 1.253 1.226 1.128 1.394
0.009 0.006 0.012 0.016 0.028 0.015 0.012
1.239 1.218 1.230 1.247 1.202 1.114 1.390
1.252 1.227 1.251 1.262 1.237 1.137 1.401
21 6 27 13 19 19 28
1.463 1.397 1.438 1.304 1.234
1.465 1.394 1.436 1.299 1.234
0.012 0.011 0.009 0.015 0.008
1.457 1.388 1.430 1.291 1.228
1.468 1.409 1.447 1.316 1.240
22 12 14 11 14
1.416 1.390 1.402 1.378 1.394 1.385 1.380 1.425 1.239
1.418 1.390 1.403 1.377 1.395 1.383 1.380 1.425 1.240
0.006 0.011 0.010 0.017 0.018 0.013 0.011 0.010 0.020
1.416 1.380 1.393 1.365 1.379 1.378 1.370 1.417 1.227
1.420 1.401 1.410 1.393 1.408 1.392 1.388 1.434 1.251
7 20 18 16 67 12 14 9 105
1.212 1.210 1.217 1.218
1.214 1.210 1.218 1.219
0.012 0.011 0.011 0.013
1.206 1.203 1.211 1.210
1.221 1.218 1.215 1.226
84 251 1116 1733
1.652 1.683 1.662
1.651 1.683 1.662
0.024 0.005 0.029
1.634 1.680 1.639
1.670 1.686 1.682
205 6 358
1.628 1.691 1.652 1.663 1.730 1.697
1.624 1.694 1.654 1.668 1.721 1.697
0.015 0.018 0.014 0.026 0.017 0.015
1.615 1.678 1.642 1.640 1.716 1.690
1.634 1.703 1.664 1.679 1.748 1.703
9 28 28 78 20 44
1.637 1.672 1.571 1.599
1.638 1.674 1.573 1.597
0.014 0.010 0.013 0.018
1.625 1.665 1.563 1.580
1.651 1.676 1.580 1.615
16 15 66 7
1.582 1.604 1.600 1.633 1.642 1.710
1.582 1.606 1.601 1.633 1.641 1.707
0.019 0.009 0.012 0.019 0.024 0.019
1.571 1.594 1.591 1.615 1.623 1.698
1.594 1.612 1.610 1.652 1.659 1.722
126 36 14 47 38 22
1.707 1.656 1.560 1.541
1.705 1.663 1.558 1.546
0.012 0.027 0.011 0.022
1.699 1.632 1.554 1.521
1.715 1.677 1.563 1.558
30 36 37 37
Note
35 35 35 23 23
5/3/05 12:08:38 PM
Bond Lengths in Crystalline Organic Compounds
9-14 Bond N(3)–Si(5) N(3)–Si(4)
N(2)–Si(4) N–Te O(2)–O(2)
O(2)–P(5)
O(2)–P(4)
O(2)–P(3) O(1)=P(4)
O(2)–S(4)
O(1)=S(4)
O(1)=S(3) O–Se O(2)–Si(5) O(2)–Si(4) O(2)–Si(4)
O(2)–Te(6) O(2)–Te(4) P(4)–P(4)
Section 09 book.indb 14
Substructure see DMESIP01, BOJLER, CASSAQ, CASYOK, CECXEN, CINTEY, CIPBUY, FMESIB, MNPSIL, PNPOSI (1.973–2.344) X3–Si–NX2 (overall) subsets of this group are: X3–Si–NHX X3–Si–NX–Si–X3 acyclic N–Si–N in 4-membered rings N–Si–N in 5-membered rings X3–Si–N––Si–X3 see ACLTEP (2.402), BIBLAZ (1.980), CESSAU (2.023) C*–O–O–C*,H τ(OO) = 70–85º τ(OO) ca. 180º overall O=C–O–O–C=O see ACBZPO01 (1.446), CEYLUN (1.452), CIMHIP (1.454) Si–O–O–Si X–P–(OX)4 trigonal bipyramidal: axial equatorial square pyramidal C–O–P( O)32 – (H–O)2–P( O)2– (C–O)2–P( O)2– (C#–O)3–P=O (Car–O)3–P=O X–O–P(=O)–(C,N)2 (X–O)2–P(=O)–(C,N) (N)2P–O–C (N P aromatic) C–O–P( O)32– (delocalized) (H–O)2–P( O)2– (delocalized) (C–O)2–P( O)2– (delocalized) (C–O)3–P=O C3–P=O N3–P=O (C)2(N)–P=O (C,N)2(O)–P=O (C,N)(O)2–P=O C–O–SO2–C C–O–SO2–CH3 C–O–SO2–Car C–SO2–C X–SO2–NX2 C–SO2–N–(C,H)2 C–SO2–O–C in SO42– C–S(=O)–C see BAPPAJ, BIRGUE10, BIRHAL10, CXMSEO, DGLYSE, SPSEBU (1.597 for O=Se to 1.974 for O–Se) (X–O)3–Si–(N)(C) X3–Si–O–X (overall) subsets of this group are: X3–Si–O–C# X3–Si–O–Si–X3 X3–Si–O–O–Si–X3 (X–O)6–Te (X–O)2–Te–X2 X3–P–P–X3
d
m
σ
q1
qu
n
1.748
1.746
0.022
1.735
1.757
170
1.714 1.743 1.742 1.741 1.711
1.719 1.744 1.742 1.742 1.712
0.014 0.016 0.009 0.019 0.019
1.702 1.731 1.735 1.726 1.693
1.727 1.755 1.748 1.749 1.729
16 45 53 33 15
1.464 1.482 1.469
1.464 1.480 1.471
0.009 0.005 0.012
1.458 1.478 1.461
1.472 1.486 1.478
12 5 17
1.496
1.499
0.005
1.490
1.499
10
1.689 1.619 1.662 1.621 1.560 1.608 1.558 1.587 1.590 1.571 1.573 1.513 1.503 1.483 1.449 1.489 1.461 1.487 1.467 1.457 1.577 1.569 1.580 1.436 1.428 1.430 1.423 1.472 1.497
1.685 1.622 1.661 1.622 1.561 1.607 1.554 1.588 1.585 1.572 1.573 1.512 1.503 1.485 1.448 1.486 1.462 1.489 1.462 1.458 1.576 1.569 1.578 1.437 1.428 1.430 1.423 1.473 1.498
0.024 0.024 0.020 0.007 0.009 0.013 0.011 0.014 0.016 0.013 0.011 0.008 0.005 0.008 0.007 0.010 0.014 0.007 0.007 0.009 0.015 0.013 0.015 0.010 0.010 0.009 0.008 0.013 0.013
1.675 1.604 1.649 1.615 1.555 1.599 1.550 1.572 1.577 1.563 1.563 1.508 1.499 1.474 1.446 1.481 1.449 1.479 1.462 1.454 1.566 1.556 1.571 1.431 1.422 1.425 1.418 1.463 1.489
1.712 1.628 1.673 1.628 1.566 1.615 1.564 1.599 1.601 1.579 1.584 1.518 1.508 1.490 1.452 1.496 1.470 1.493 1.472 1.462 1.584 1.582 1.588 1.442 1.434 1.435 1.428 1.481 1.505
20 20 28 12 16 16 30 19 33 70 16 42 16 16 18 72 26 5 33 35 41 7 27 316 326 206 82 104 90
1.663 1.631
1.658 1.630
0.023 0.022
1.650 1.617
1.665 1.646
21 191
1.645 1.622 1.680 1.927 2.133 2.256
1.647 1.625 1.676 1.927 2.136 2.259
0.012 0.014 0.008 0.020 0.054 0.025
1.634 1.614 1.673 1.908 2.078 2.243
1.652 1.631 1.688 1.942 2.177 2.277
29 70 10 16 12 6
Note
41
42
5
5/3/05 12:08:40 PM
Bond Lengths in Crystalline Organic Compounds Bond P(4)–P(3) P(3)–P(3) P(4)=P(4) P(3)=P(3) P(4)=S(1)
P(4)=Se(1) P(3)–Si(4) P(4)=Te(1) S(2)–S(2)
S(2)–S(1) S–Se(4) S–Se(2) S(2)–Si(4) S(2)–Te Se(2)–Se(2) Se(2)–Te(2) Si(4)–Si(4) Te–Te
Substructure see CECHEX (2.197), COZPIQ (2.249) X2–P–P–X2 see BUTSUE (2.054) see BALXOB (2.034) C3–P=S (N,O)2(C)–P=S (N,O)3–P=S X3–P=Se X2–P–Si–X3: 3- and 4-rings excluded (see BOPFER, BOPFIV, CASTOF10, COZVIW: 2.201–2.317) see MOPHTE (2.356), TTEBPZ (2.327) C–S–S–C τ(SS) = 75–105º τ(SS) = 0–20º (overall) in polysulphide chain–S–S–S– X–N=S–S see BUWZUO (2.264, 2.269) X–Se–S (any) X3–Si–S–X X–S–Te (any) X=S–Te (any) X–Se–Se–X see BAWFUA, BAWGAH (2.524–2.561) X3–Si–Si–X3 3–membered rings excluded: see CIHRAM (2.511) see CAHJOK (2.751, 2.704)
Appendix 1. (Footnotes to Table) 1. Sample dominated by B–CH3. For longer bonds in B––CH3 see LITMEB10 [B(4)–CH3 = 1.621–1.644Å]. 2. p(π)–p(π) Bonding with Bsp2 and Nsp2 coplanar (τBN = 0 ± 15º) predominates. See G. Schmidt, R. Boese, and D. Bläser, Z. Naturforsch., 1982, 37b, 1230. 3. 84 observations range from 1.38 to 1.61 Å and individual values depend on substituents on B and O. For a discussion of borinic acid adducts see S. J. Rettig and J. Trotter, Can. J. Chem., 1982, 60, 2957. 4. See M. Kaftory in ‘The Chemistry of Functional Groups. Supplement D: The Chemistry of Halides, Pseudohalides, and Azides’, S. Patai and Z. Rappoport, Eds., Wiley: New York, 1983, Part 2, ch. 24. 5. Bonds which are endocyclic or exocyclic to any 3- or 4-membered rings have been omitted from all averages in this section. 6. The overall average given here is for Csp3–Csp3 bonds which carry only C or H substituents. The value cited reflects the relative abundance of each ‘substitution’ group. The ‘mean of means’ for the 9 subgroups is 1.538 (σ = 0.022) Å. 7. See F. H. Allen, (a) Acta Crystallogr., 1980, B36, 81; (b) 1981, B37, 890. 8. See F. H. Allen, Acta Crystallogr., 1984, B40, 64. 9. See F. H. Allen, Tetrahedron, 1982, 38, 2843. 10. See F. H. Allen, Tetrahedron, 1982, 38, 645. 11. Cyclopropanones and cyclobutanones excluded. 12. See W. B. Schweizer and J. D. Dunitz, Helv. Chim. Acta, 1982, 65, 1547. 13. See L. Norskov-Lauritsen, H.-B. Bürgi, P. Hoffmann, and H. R. Schmidt, Helv. Chim. Acta, 1985, 68, 76. 14. See P. Chakrabarti and J. D. Dunitz, Helv. Chim. Acta, 1982, 65, 1555. 15. See J. L. Hencher in ‘The Chemistry of the C≡C Triple Bond,’ S. Patai, Ed., Wiley, New York, 1978, ch. 2. 16. Conjugated: torsion angle about central C–C single bond is 0 ± 20º (cis) or 180 ± 20º (trans). 17. Unconjugated: torsion angle about central C–C single bond is 20– 160º.
Section 09 book.indb 15
9-15 d
m
σ
q1
qu
2.214
2.210
0.022
2.200
2.224
41
1.954 1.922 1.913 2.093 2.264
1.952 1.924 1.914 2.099 2.260
0.005 0.014 0.014 0.019 0.019
1.950 1.913 1.906 2.075 2.249
1.957 1.927 1.921 2.108 2.283
13 26 50 12 22
2.031 2.070 2.048 2.051 1.897
2.029 2.068 2.045 2.050 1.896
0.015 0.022 0.026 0.022 0.012
2.021 2.057 2.028 2.037 1.887
2.038 2.077 2.068 2.065 1.908
46 28 99 126 5
2.193 2.145 2.405 2.682 2.340
2.195 2.138 2.406 2.686 2.340
0.015 0.020 0.022 0.035 0.024
2.174 2.130 2.383 2.673 2.315
2.207 2.158 2.424 2.694 2.361
9 19 10 28 15
2.359
2.359
0.012
2.349
2.366
42
18. 19. 20. 21. 22. 23. 24. 25. 26. 27. 28. 29. 30. 31. 32. 33. 34. 35. 36. 37. 38. 39. 40. 41. 42.
n
Note
†
Other conjugative substituents excluded. TCNQ is tetracyanoquinodimethane. No difference detected between C2 C3 and C3 C4 bonds. Derived from neutron diffraction results only. Nsp3: pyramidal; mean valence angle at N is in range 108–114º. Nsp2: planar; mean valence angle at N is ≥ 117.5º. Cyclic and acyclic peptides. See R. H. Blessing, J. Am. Chem. Soc., 1983, 105, 2776. See L. Lebioda, Acta Crystallogr., 1980, B36, 271. n = 3 or 4, i.e. tri- or tetra-substituted ureas. Overall value also includes structures with mean valence angle at N in the range 115–118º. See F. H. Allen and A. J. Kirby, J. Am. Chem. Soc., 1984, 106, 6197. See A. J. Kirby, ‘The Anomeric Effect and Related Stereoelectronic Effects at Oxygen,’ Springer, Berlin, 1983. See B. Fuchs, L. Schleifer, and E. Tartakovsky, Nouv. J. Chim., 1984, 8, 275. See S. C. Nyburg and C. H. Faerman, J. Mol. Struct., 1986, 140, 347. Sample dominated by P–CH3 and P–CH2–C. Sample dominated by C* = methyl. See A. Kalman, M. Czugler, and G. Argay, Acta Crystallogr., 1981, B37, 868. Bimodal distribution resolved into 22 ‘short’ bonds and 5 longer outliers. All 24 observations come from BUDTEZ. ‘Long’ O–H bonds in centrosymmetric O---H---O H–bonded dimers are excluded. N–N bond length also dependent on torsion angle about N–N bond and on nature of substituent C atoms; these effects are ignored here. N pyramidal has average angle at N in range 100–113.5º; N planar has average angle of ≥ 117.5º. See R. R. Holmes and J. A. Deiters, J. Amer. Chem. Soc., 1977, 99, 3318. No detectable variation in S=O bond length with type of C-substituent.
5/3/05 12:08:41 PM
Bond Lengths in Crystalline Organic Compounds
9-16
Appendix 2
Short-form references to individual CSD entries cited by reference code in the Table. A full list of CSD bibliographic entries is given in SUP 56701. ACBZPO01 ACLTEP ASAZOC BALXOB BAPPAJ BARRIV BAWFUA BAWGAH BECTAE BELNIP BEMLIO BEPZEB BETJOZ BETUTE10 BIBLAZ BICGEZ BIHXIZ BIRGUE10 BIRHAL10 BIZJAV BOGPOC BOGSUL BOJLER BOJPUL BOPFER BOPFIV BOVMEE BQUINI BTUPTE BUDTEZ BUPSIB10 BUSHAY BUTHAZ10 BUTSUE BUWZUO BZPRIB BZTPPI CAHJOK CAJMAB CANLUY CASSAQ CASTOF10 CASYOK CECHEX CECXEN CEDCUJ CEHKAB CELDOM CESSAU CETTAW CETUTE CEYLUN CIFZUM CIHRAM CILRUK CILSAR CIMHIP CINTEY CIPBUY CISMUM CISTED
Section 09 book.indb 16
J. Am. Chem. Soc., 1975, 97, 6729. J. Organomet. Chem., 1980, 184, 417. Dokl. Akad. Nauk SSSR, 1979, 249, 120. J. Am. Chem. Soc., 1981, 103, 4587. Inorg. Chem., 1981, 20, 3071. Acta Chem. Scand., Ser. A, 1981, 35, 443. Cryst. Struct. Commun., 1981, 10, 1345. Cryst. Struct. Commun., 1981, 10, 1353. J. Org. Chem., 1981, 46, 5048, 1981. Z. Naturforsch., Teil B, 1982, 37, 299. Chem. Ber., 1982, 115, 1126. Cryst. Struct. Commun., 1982, 11, 175. J. Am. Chem. Soc., 1982, 104, 1683. Acta Chem. Scand., Ser. A, 1976, 30, 719. Zh. Strukt. Khim., 1981, 22, 118. Z. Anorg. Allg. Chem., 1982, 486, 90. J. Chem. Soc., Chem. Commun., 1982, 982. Z. Naturforsch., Teil B, 1983, 38, 20. Z. Naturforsch., Teil B, 1982, 37, 1410. J. Organomet. Chem., 1982, 238, C1. Z. Naturforsch., Teil B, 1982, 37, 1402. Z. Naturforsch., Teil B, 1982, 37, 1230. Z. Anorg. Allg. Chem., 1982, 493, 53. Acta Chem. Scand., Ser. A, 1982, 36, 829. Chem. Ber., 1983, 116, 146. Chem. Ber., 1983, 116, 146. Acta Crystallogr., Sect. B, 1982, 38, 1048. Acta Crystallogr., Sect. B, 1979, 35, 1930. Acta Chem. Scand., Ser. A, 1975, 29, 738. Z. Naturforsch., Teil B, 1983, 38, 454. Z. Anorg. Allg. Chem., 1981, 474, 31. Z. Naturforsch., Teil. B, 1983, 38, 692. Inorg. Chem., 1984, 23, 2582. J. Chem. Soc., Chem. Commun., 1983, 862. Acta Chem. Scand., Ser A, 1983, 37, 219. Z. Naturforsch., Teil B, 1981, 36, 922. Inorg. Chem., 1978, 17, 894. Inorg. Chem., 1983, 22, 1809. Chem. Z, 1983, 107, 169. Tetrahedron Lett., 1983, 24, 4337. J. Struct. Chem., 1983, 2, 101. Acta Crystallogr., Sect. C, 1984, 40, 1879. J. Struct. Chem., 1983, 2, 107. Z. Anorg. Allg. Chem., 1984, 508, 61. J. Struct. Chem., 1983, 2, 207. J. Org. Chem., 1983, 48, 5149. Z. Naturforsch., Teil B, 1984, 39, 139. Acta Crystallogr., Sect. C, 1984, 40, 556. Acta Crystallogr., Sect. C, 1984, 40, 653. Chem. Ber., 1984, 117, 1089. Acta Chem. Scand., Ser A, 1975, 29, 763. Izv. Akad. Nauk SSSR, Ser. Khim., 1983, 2744. Acta Chem. Scand., Ser A, 1984, 38, 289. Angew. Chem., Int. Ed. Engl., 1984, 23, 302. J. Chem. Soc., Chem. Commun., 1984, 1023. J. Chem. Soc., Chem. Commun., 1984, 1021. Acta Crystallogr., C, 1984, 40, 1458. Dokl. Akad. Nauk SSSR, 1984, 274, 615. J. Struct. Chem., 1983, 2, 281. Z. Naturforsch., Teil B, 1984, 39, 485. Z. Anorg. Allg. Chem., 1984, 511, 95.
CIWYIQ CIYFOF CMBIDZ CODDEE CODDII COFVOI COJCUZ COSDIX COZPIQ COZVIW CTCNSE CUCPIZ CUDLOC CUDLUI CUGBAH CXMSEO DGLYSE DMESIP01 DSEMOR10 DTHIBR10 EPHTEA ESEARS ETEARS FMESIB FPHTEL FPSULF10 HCLENE10 HMTITI HMTNTI HXPASC IBZDAC11 IFORAM IODMAM IPMUDS ISUREA10 LITMEB10 MESIAD METAMM MNPSIL MODIAZ MOPHTE MORTRS10 NAPSEZ10 NBBZAM OPIMAS OPNTEC10 PHASCL PHASOC01 PNPOSI SEBZQI SPSEBU TEACBR THINBR TMPBTI TPASSN TPASTB TPHOSI TTEBPZ ZCMXSP
Inorg. Chem., 1984, 23, 1946. Inorg. Chem., 1984, 23, 1790. J. Org. Chem., 1979, 44, 1447. Z. Naturforsch., Teil B, 1984, 39, 1257. Z. Naturforsch., Teil B, 1984, 39, 1257. Z. Naturforsch., Teil B, 1984, 39, 1027. Chem. Ber., 1984, 117, 2686. Z. Naturforsch., Teil B, 1984, 39, 1344. Chem. Ber., 1984, 117, 2063. Z. Anorg. Allg. Chem., 1984, 515, 7. J. Am. Chem. Soc., 1980, 102, 5430. J. Am. Chem. Soc., 1984, 106, 7529. J. Cryst. Spectrosc., 1985, 15, 53. J. Cryst. Spectrosc., 1985, 15, 53. Acta Crystallogr., Sect. C, 1985, 41, 476. Acta Crystallogr., Sect. B, 1973, 29, 595. Acta Crystallogr., Sect. B, 1975, 31, 1785. Acta Crystallogr., Sect. C, 1984, 40, 895. J. Chem. Soc., Dalton Trans., 1980, 628. Inorg. Chem., 1971, 10, 697. Inorg. Chem., 1980, 19, 2487. J. Chem. Soc. C, 1971, 1511. J. Chem. Soc. C, 1971, 1511. J. Organomet. Chem., 1980, 197, 275. J. Chem. Soc., Dalton Trans., 1980, 2306. J. Am. Chem. Soc., 1982, 104, 1683. Acta Crystallogr., Sect. B, 1982, 38, 3139. Acta Crystallogr., Sect. B, 1975, 31, 1505. Z. Anorg. Allg. Chem., 1974, 409, 237. J. Chem. Soc., Dalton Trans., 1975, 1381. J. Chem. Soc., Dalton Trans., 1979, 854. Monatsh. Chem., 1974, 105, 621. Acta Crystallogr., Sect. B, 1977, 33, 3209. Acta Crystallogr., Sect. B, 1973, 29, 2128. Acta Crystallogr., Sect. B, 1972, 28, 643. J. Am. Chem. Soc., 1975, 97, 6401. Z. Naturforsch., Teil B, 1980, 35, 789. Acta Crystallogr., 1964, 17, 1336. J. Am. Chem. Soc., 1969, 91, 4134. J. Heterocycl. Chem., 1980, 17, 1217. Acta Chem. Scand., Ser. A, 1980, 34, 333. J. Chem. Soc., Dalton Trans., 1980, 628. J. Am. Chem. Soc., 1980, 102, 5070. Z. Naturforsch., Teil B, 1977, 32, 1416. Aust. J. Chem., 1977, 30, 2417. J. Chem. Soc., Dalton Trans., 1982, 251. Acta Crystallogr., Sect. B, 1981, 37, 1357. Aust. J. Chem., 1975, 28, 15. J. Am. Chem. Soc., 1968, 90, 5102. J. Chem. Soc., Chem. Commun., 1977, 325. Acta Chem. Scand., Ser. A, 1979, 33, 403. Cryst. Struct. Commun., 1974, 3, 753. J. Am. Chem. Soc., 1970, 92, 4002. Acta Crystallogr., Sect. B, 1975, 31, 1116. J. Chem. Soc., Dalton Trans., 1977, 514. Cryst. Struct. Commun., 1976, 5, 39. Z. Naturforsch., Teil B, 1979, 34, 1064. Z. Naturforsch., Teil B, 1979, 34, 256. Cryst. Struct. Commun., 1977, 6, 93.
5/3/05 12:08:42 PM
Bond Lengths and Angles in Gas-Phase Molecules This table is reprinted from Kagaku Benran, 3rd Edition, Vol. II, pp. 649–661 (1984), with permission of the publisher, Maruzen Company, LTD. (Copyright 1984 by the Chemical Society of Japan). Translation was carried out by Kozo Kuchitsu. Internuclear distances and bond angles are represented in units of Å (1 Å = 10–10 m) and degrees, respectively. The same but inequivalent atoms are discriminated by subscripts a, b, etc. In some molecules ax for axial and eq for equatorial are also used. All measurements were made in the gas phase. The methods used are abbreviated as follows. UV: ultraviolet (including visible) spectroscopy; IR: infrared spectroscopy; R: Raman spectroscopy; MW: microwave spectroscopy; ED: electron diffraction; NMR: nuclear magnetic resonance; LMR: laser magnetic resonance; EPR: electron paramagnetic resonance; MBE: molecular beam electric resonance. If two methods were used jointly for structure determination, they are listed together, as (ED, MW). If the numerical values listed refer to the equilibrium values, they are specified by re and θe. In other cases the listed values represent various average values in vibrational states; it is frequently the case that they represent the rs structure derived from several isotopic species for MW or the rg structure (i.e., the average internuclear distances at thermal equilibrium) for ED. These internuclear distances for the same atom pair with different definitions may sometimes differ as much
as 0.01 Å. Appropriate comments are made on the symmetry and conformation in the equilibrium structure. In general, the numerical values listed in the following tables contain uncertainties in the last digits. However, for certain molecules such as diatomic molecules, with experimental uncertainties of the order of 10–5 Å or smaller, numerical values are listed to four decimal places.
References 1. L. E. Sutton, Ed., Tables of Interatomic Distances and Configuration in Molecules and Ions, The Chemical Society Special Publication, No. 11, 18, The Chemical Society (London), 1958, 1965. 2. K.-H. Hellwege, Ed., Landolt-Börnstein Numerical Data and Functional Relations in Science and Technology, New Series, II/7, J. H. Callomon, E. Hirota, K. Kuchitsu, W. J. Lafferty, A. G. Maki, C. S. Pote, with assistance of I. Buck and B. Starck, Structure Data of Free Polyatomic Molecules, Springer-Verlag, Heidelberg, 1976. 3. K. P. Huber and G. Herzberg, Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Co., London, 1979. 4. B. Starck, Microwave Catalogue and Supplements, private communication. 5. B. Starck, Electron Diffraction Catalogue and Supplements, private communication.
STRUCTURES OF ELEMENTS AND INORGANIC COMPOUNDS Compounds are arranged in alphabetical order by their chemical formulas (Lengths in Å and Angles in Degrees) Compound AgBr AgCl AgF AgH AgI AgO AlBr AlCl AlF AlH AlI AlO Al2Br6
Ag—Br (re) Ag—Cl (re) Ag—F (re) Ag—H (re) Ag—I (re) Ag—O (re) Al—Br (re) Al—Cl (re) Al—F (re) Al—H (re) Al—I (re) Al—O (re) Bra
2.3931 2.2808 1.9832 1.617 2.5446 2.0030 2.295 2.1301 1.6544 1.6482 2.5371 1.6176 Bra
Brb Al
Al Brb
Bra
Structure
Bra
Al2Cl6
AsBr3 AsCl3 AsF3 AsF5
As—Br As—Cl As—F Fa
Fb
As Fa
Fb
2.324 2.165 1.710 As—Fa
1.711
Al—Bra Al—Brb ∠BrbAlBrb ∠BraAlBra (D2h) Al—Cla Al—Clb ∠ClbAlClb ∠ClaAlCla (D2h) ∠BrAsBr ∠ClAsCl ∠FAsF As—Fb (D3h)
2.22 2.38 82 118
Method MW MW MW UV MW UV UV MW MW UV MW UV ED
2.04 2.24 87 122
ED
99.6 98.6 95.9 1.656
ED ED, MW ED, MW
Fb
9-19
Bond Lengths and Angles in Gas-Phase Molecules
9-20 Compound AsH3 AsI3 AuH BBr3 BCl3 BF BF2H BF2OH BF3 BH BH3PH3 BI3 BN BO BO2 BS B2H6
As—H (re) As—I Au—H (re) B—Br B—Cl B—F (re) B—H B—F ∠FBF B—F B—H (re) B—P ∠PBH ∠HPH B—I B—N (re) B—O (re) B—O B—S Ha Hb
B Ha B3H3O3 B3H6N3 BaH BaO BaS BeF BeH BeH2 BeO BiBr BiBr3 BiCl BiCl3 BiF BiH BiI BiO BrCN BrCl BrF BrF3
1.189 1.32 118
1.937 103.6 101.3
1.511 2.557 1.5237 1.893 1.742 1.2626
1.313 1.2325
2.118 1.281 1.2045 1.265 1.6091
∠HAsH (θe) ∠IAsI
Hb
B—O B—N ∠NBN Ba—H (re) Ba—O (re) Ba—S (re) Be—F (re) Be—H (re) Be—H(re) Be—O (re) Bi—Br (re) Bi—Br Bi—Cl (re) Bi—Cl Bi—F (re) Bi—H (re) Bi—I (re) Bi—O (re) C—N (re) Br—Cl (re) Br—F (re) Fa Br Fa
B—F B—O ∠FBO
1.311 1.34 123
B—H 1.212 ∠BPH 116.9 staggered form
2.2318 1.9397 2.5074 1.3609 1.3431 1.3264 1.3308 2.6095 2.63 2.4716 2.423 2.0516 1.805 2.8005 1.934 1.157 2.1361 1.7590
BrO Br2 CBr4 CCl CClF3 CCl3F
Br—F (average) 1.753 (Br—Feq) – (Br—Fax) = 0.069 85.1 ∠FaxBrFeq 1.7172 Br—O (re) Br—Br (re) 2.2811 C—Br 1.935 C—Cl 1.6512 C—Cl 1.752 C—Cl 1.754
CCl4 CF CF3I
C—Cl C—F (re) C—I
2.138
1.767 1.2718
(D3h) P—H ∠HBH
118.3 0.941 114.1
1.399 114.6
(D3h)
B—Ha B—Hb B···B ∠HaBHa ∠HbBHb ∠BOB≅∠OBO
Ha 1.376
∠FBF O—H ∠BOH
B—H ∠BNB
Br—Fa ∠FaBrFb
1.26 121
1.19 1.33 1.77 122 97 120 N—H (C2)
1.05
∠BrBiBr
90
(C3v)
∠ClBiCl
100
(C3v)
C—Br (re)
1.790
1.810 86.2
Br—Fb (C2v)
Method MW, IR ED UV ED ED UV MW MW ED, IR UV MW
ED UV EPR UV UV IR, ED
linear
Ha
1.435 118
92.1 100.2
(D3h) (D3h)
B
Fb BrF5
Structure
1.721
ED ED UV MW MBE UV UV IR UV MW ED MW ED MW UV MW UV IR MW MW MW
ED, MW (C4v)
∠FCF ∠ClCCl (C3v)
108.6 111
MW R ED UV ED, MW MW
∠FCF
108.1
ED EPR ED, MW
(Td) C—F C—F
1.325 1.362 (Td)
C—F
1.330
Bond Lengths and Angles in Gas-Phase Molecules Compound CF4 CH CI4 CN CO COBr2 COClF COCl2 COF2 CO2 CP CS CS2 C2 C3O2 CaH CaO CaS CdH CdBr2 CdCl2 CdI2 ClCN ClF ClF3 ClO ClOH ClO2 ClO3(OH)
9-21
Structure C—F 1.323 1.1199 C—H (re) C—I 2.15 1.1718 C—N (re) 1.1283 C—O (re) C—O 1.178 ∠BrCBr 112.3 C—F 1.334 C—O 1.173 ∠FCCl 108.8 ∠ClCO 127.5 C—O 1.179 ∠ClCCl 111.8 C—F 1.3157 ∠FCF 107.71 C—O (re) 1.1600 1.562 C—P (re) 1.5349 C—S (re) C—S (re) 1.5526 C—C (re) 1.2425 C—O 1.163 linear (large-amplitude bending vibration) 2.002 Ca—H (re) 1.8221 Ca—O (re) 2.3178 Ca—S (re) 1.781 Cd—H (re) Cd—Br 2.35 Cd—Cl 2.24 Cd—I 2.56 1.629 C—Cl (re) 1.6283 Cl—F (re) Cl—Fa 1.698 Fa Cl Fa ∠FaClFb Fb Cl—O (re) O—Cl Cl—O Oa—Cl H Ob
1.5696 1.690 1.470 1.407
O—H
0.975
∠OaClOa
Method ED UV ED MW MW ED, MW
(Td) (Td) C—Br
1.923 C—Cl
1.725
ED, MW
C—Cl
1.742
ED, MW
C—O
1.172
ED, MW
1.289
IR UV MW IR UV ED
C—C
UV UV UV EPR ED ED ED MW MW MW
linear linear linear C—N (re)
1.160
87.5
Cl—Fb (C2v)
1.598
∠OClO Ob—Cl 114.3
∠HOCl 117.38 1.639 ∠OaClOb
102.5
∠ClOCl
110.89
Cr—C
1.92
UV MW UV ED
1.159 ∠HOF
UV MW MW MW UV MW MW MW MW MW UV MW MW MW
104.1
MW, UV MW, IR MW ED
Cl Oa O Oa a Cl2 Cl2O CoH Cr (CO)6 CrO CsBr CsCl CsF CsH CsI CsOH CuBr CuCl CuF CuH CuI FCN FOH
Cl—Cl (re) Cl—O Co—H (re) C—O ∠CrCO Cr—O (re) Cs—Br (re) Cs—Cl (re) Cs—F (re) Cs—H (re) Cs—I (re) Cs—O (re) Cu—Br (re) Cu—Cl (re) Cu—F (re) Cu—H (re) Cu—I (re) C—F O—H
0.96
1.9878 1.6959 1.542 1.16 180 1.615 3.0723 2.9063 2.3454 2.4938 3.3152 2.395 2.1734 2.0512 1.7449 1.4626 2.3383 1.262
O—H (re)
O—F
1.442
C—N
0.97
97.2
Bond Lengths and Angles in Gas-Phase Molecules
9-22 Compound F2 Fe(CO)5
HBr HCN
F—F (re) Fe—C (average) (Fe—C)eq – (Fe—C)ax C—O (average) Ga—Br (re) Ga—Cl (re) Ga—F (re) Ga—F Ga—I (re) Ga—I Gd—I Ge—H ∠HGeH Ge—Br Ge—H ∠HGeH Ge—Cl Ge—Cl Ge—H ∠HGeH Ge—F (re) Ge—H (re) Ge—H Ge—O (re) Ge—S (re) Ge—Se (re) Ge—Te (re) Ge—H ∠HGeH H—Br (re) C—H (re)
HCNO
H—C
HCl HF HI HNCO
H—Cl (re) H—F (re) H—I (re) N—H ∠HNC N—H ∠HNC N—H
GaBr GaCl GaF GaF3 GaI GaI3 GdI3 GeBrH3 GeBr4 GeClH3 GeCl2 GeCl4 GeFH3 GeF2 GeH GeH4 GeO GeS GeSe GeTe Ge2H6
HNCS HNO HNO2
1.4119 1.821 1.153 2.3525 2.2017 1.7744 1.88 2.5747 2.458 2.841 1.526 106.2 2.272 1.537 111.0 2.183 2.113 1.522 113.0 1.7321 1.5880 1.5251 1.6246 2.0121 2.1346 2.3402 1.541 106.4 1.4145 1.0655
1.027
0.986 128.0 0.989 135.0 1.063
1.2746 0.9169 1.6090
HNSO
N—H ∠HNS
1.029 115.8
H2 H 2O H2O2
H—H (re) 0.7414 O—H (re) 0.9575 O—O 1.475 dihedral angle of internal rotation H—S (re) 1.3356
Method R ED
0.020
(D3h)
(D3h) (D3h) ∠IGdI Ge—Br
108 2.299
(Td) Ge—Cl
2.150
∠ClGeCl (Td) Ge—F
1.732
∠FGeF (θe)
97.17
(C3v)
100.3
N—C
1.161
Ge—Ge ∠GeGeH
2.403 112.5
C—N (re) linear
1.1532
1.209
N—C 1.216 ∠NCS 180 N—O 1.212 s-trans conformer Ob—H N—Ob N—Oa ∠OaNOb ∠NObH Oc—H N—Oa ∠HOcN ∠OcNOb
0.958 1.432 1.170 110.7 102.1 0.96 1.20 102.2 115.9
N—S ∠NSO planar
1.512 120.4
ED ED MW, IR MW UV IR, R MW MW MW MW ED MW MW, IR
N—O linear
1.207
MW
C—O
1.166
MW MW MW MW
C—S
1.561
MW
∠HNO s-cis conformer 0.98 1.39 1.19 114 104 N—Oc N—Ob ∠OcNOa planar
108.6
UV MW
1.41 1.21 113.9
MW
1.451
MW
S—O
∠HOH (θe) ∠OOH 119.8 ∠HSH (θe)
MW MW MW ED MW ED ED MW, IR ED IR, MW
(Td)
C—N
HNO3
H2S
Structure
104.51 94.8 (C2) 92.12
UV MW, IR IR MW, IR
Bond Lengths and Angles in Gas-Phase Molecules Compound H2SO4
H2S2 HfCl4 HgCl2 HgH HgI2 IBr ICN ICl IF5 IO I2 InBr InCl InF InH InI IrF6 KBr KCl KF KH KI KOH K2 KrF2 LiBr LiCl LiF LiH LiI Li2 Li2Cl2
LuCl3 MgF MgH MgO MnH Mo(CO)6 MoCl4O MoF6 NClH2 NCl3 NF2 NH2 NH2CN
9-23
Structure O—H 0.97 Ob 1.422 S—Oc 101.3 ∠OaSOb Oa Ha 108.6 ∠OaSOc S dihedral angle between the HaOaS and OaSOc planes Od Oc dihedral angle between the HaOaS and OaSOb planes dihedral angle between the HaSOb and OcSOd planes S—S 2.055 S—H 1.327 dihedral angle of internal rotation 90.6 (C2) Hf—Cl 2.33 (Td) Hg—Cl 2.252 linear 1.7404 Hg—H (re) Hg—I 2.553 linear 2.4691 I—Br (re) C—I 1.995 C—N 2.3210 I—Cl (re) I—F (average) 1.860 (I—F)eq – (I—F)ax 82.1 (C4v) ∠FaxIFeq 1.8676 I—O (re) I—I (re) 2.6663 2.5432 In—Br (re) 2.4012 In—Cl (re) 1.9854 In—F (re) 1.8376 In—H (re) 2.7537 In—I (re) Ir—F 1.830 (Oh) 2.8208 K—Br (re) 2.6667 K—Cl (re) 2.1716 K—F (re) 2.244 K—H (re) 3.0478 K—I (re) O—H 0.91 K—O K—K (re) 3.9051 Kr—F 1.89 linear 2.1704 Li—Br (re) 2.0207 Li—Cl (re) 1.5639 Li—F (re) 1.5949 Li—H (re) 2.3919 Li—I (re) Li—Li (re) 2.6729 Li—Cl Li Cl—Cl Cl Cl ∠ClLiCl Li
Hb
Lu—Cl Mg—F (re) Mg—H (re) Mg—O (re) Mn—H (re) Mo—C Mo—Cl ∠ClMoCl Mo—F N—H ∠HNCl N—Cl N—F N—H N—H
2.063
2.417 1.7500 1.7297 1.749 1.7308 2.279 87.2 1.820 1.017 103.7 1.759 1.3528 1.024 1.00
∠ClLuCl
C—O
1.145
Mo—O (C4v) (Oh) N—Cl ∠HNH ∠ClNCl ∠FNF ∠HNH Na—C
S—Oa ∠HaOaS ∠OcSOd ∠OaSOd
∠SSH
1.159 0.03
2.212 linear
2.23 3.61 108 112
(Oh) 1.658
1.748 107 107.1 103.18 103.3 1.35
20.8 90.9 88.4
Method MW
1.574 108.5 123.3 106.4
91.3
(C2)
ED, MW ED ED UV ED MW MW MW ED, MW MW R MW MW MW UV MW ED MW MW MW UV MW MW UV ED MW MW MW MW MW UV ED
(C3v) ED UV UV UV UV ED ED ED MW, IR ED MW UV MW
Bond Lengths and Angles in Gas-Phase Molecules
9-24 Compound
Structure C—Nb 1.160 ∠HNH angle between the NH2 plane and the N—C bond
H Na
C Nb
114 142
Method
H NH2NO2 NH3 NH4Cl NF2CN NH NH2OH NO NOCl NOF NO2 NO2Cl NO2F NS N2 N2H4
N2O N2O3
N2O4
NaBr NaCl NaF NaH NaI Na2 NbCl5 NbO Ni(CO)4 NiH NpF6 OCS OCSe OF OF2 O(SiH3)2 O2 O2F2 O3
N—N 1.427 N—H ∠HNH 115.2 ∠ONO dihedral angle between the NH2 and NNO2 planes N—H (re) 1.012 ∠HNH (θe) N—H 1.22 N—Cl 2.54 F2Nb—C≡Na C—Na 1.158 1.399 ∠NaCNb 174 Nb—F 105.4 ∠FNbF 102.8 ∠CNbF 1.0362 N—H (re) N—H 1.02 N—O 1.453 ∠HNH 107 ∠HNO 103.3 The bisector of H—N—H angle is trans to the O—H bond 1.1506 N—O (re) N—Cl 1.975 N—O 1.14 O—N 1.136 N—F 1.512 N—O 1.193 ∠ONO N—Cl 1.840 N—O ∠ONO 130.6 (C2v) N—O 1.1798 N—F ∠ONO 136 (C2v) 1.4940 N—S (re) N—N (re) 1.0977 N—H 1.021 N—N ∠HNH 106.6 (assumed) ∠NNHa 106 dihedral angle of internal rotation ∠NNHb Ha: the H atom closer to the C2 axis, Hb: the H atom farther from the C2 axis N—N (re) 1.1284 N—O (re) Na—Nb 1.864 Oa Ob 1.202 Nb—Ob Na Nb 105.05 ∠OaNaNb Oc ∠NaNbOb 112.72 117.47 ∠NaNbOc N—N 1.782 O O ∠ONO 135.4 N N O O Na—Br (re) Na—Cl (re) Na—F (re) Na—H (re) Na—I (re) Na—Na (re) Nb—Cleq Nb—O (re) Ni—C Ni—H (re) Np—F C—O (re) C—O O—F (re) O—F (re) Si—H ∠SiOSi O—O (re) O—O ∠OOF O—O (re)
2.241 1.838
2.5020 2.3609 1.9260 1.8873 2.7115 3.0789 1.691 1.476 1.981 1.1578 1.159 1.3579 1.4053 1.486 144.1 1.2074 1.217 109.5 1.2716
1.005 130.1 128.2 106.7 (C3v) C—Nb
1.386
O—H ∠NOH
0.962 101.4
∠ONCl ∠FNO 134.1 1.202
113 110.1
1.467
1.1841 Na—Oa Nb—Oc
N—O (D2h)
2.338 (D3h)
ED
C—O
1.141
(Td)
(Oh) C—S (re) C—Se
1.5601 1.709
∠FOF (θe) Si—O
103.07 1.634
1.575 87.5 117.47
IR ED MW
LMR MW
IR MW MW MW MW MW IR UV ED, MW
1.449 112 91
Nb—Clax
F—O dihedral angle of internal rotation ∠OOO (θe)
MW
1.142 1.217
1.190
MW, IR MW
ED
MW MW MW UV MW UV
(C2v)
(C2) (C2v)
UV ED UV ED MW MW LMR MW ED MW MW MW
Bond Lengths and Angles in Gas-Phase Molecules Compound OsF6 OsO4 PBr3 PCl3 PCl5
Os—F Os—O P—Br P—Cl Cla
1.831 1.712 2.220 2.039 Clb
9-25
Structure
P—Cla
(Oh) (Td) ∠BrPBr ∠ClPCl 2.124
Clb P Cla
PF PF3 PF5 PH PH2 PH3 PN PO POCl3 POF3 P2 P2F4 P4 P4O6 PbH PbO PbS PbSe PbTe PrI3 PtO PuF6 RbBr RbCl RbF RbH RbI RbOH ReClO3 ReF6 RuO4 SCSe SCTe SCl2 SF SF2 SF6 SO SOCl2 SOF2 SOF4
SO2 SO2Cl2
101.0 100.27 P—Clb (D3h)
2.020
Method ED ED ED ED ED
Clb
1.5896 P—F (re) P—F 1.570 ∠FPF P—Fax 1.577 P—Feq 1.534 1.4223 P—H (re) P—H 1.418 ∠HPH P—H 1.4200 ∠HPH 1.4909 N—P (re) 1.4759 O—P (re) P—O 1.449 P—Cl ∠ClPCl 103.3 P—O 1.436 P—F 1.524 P—P (re) 1.8931 P—F 1.587 P—P ∠PPF 95.4 ∠FPF The two PF2 planes are trans to each other (the gauche conformer is less than 10%) P—P 2.21 (Td) P—O 1.638 ∠POP 126.4 1.839 Pb—H (re) 1.9218 Pb—O (re) 2.2869 Pb—S (re) 2.4022 Pb—Se (re) 2.5950 Pb—Te (re) Pr—I 2.904 ∠IPrI 113 1.7273 Pt—O (re) Pu—F 1.971 (Oh) 2.9447 Rb—Br (re) 2.7869 Rb—Cl (re) 2.2703 Rb—F (re) 2.367 Rb—H (re) 3.1768 Rb—I (re) Rb—O 2.301 O—H 0.957 Re—O 1.702 Re—Cl ∠ClReO 109.4 (C3v) Re—F 1.832 (Oh) Ru—O 1.706 (Td) C—Se 1.693 C—S C—S 1.557 C—Te S—Cl 2.006 ∠ClSCl 103.0 1.6006 S—F (re) S—F 1.5921 ∠FSF S—F 1.561 (Oh) 1.4811 S—O (re) S—O 1.44 S—Cl ∠ClSCl 97.2 ∠OSCl S—O 1.420 S—F ∠OSF 106.2 ∠FSF S—O 1.403 Fb Fb 1.552 S—Fb Fa S F a 124.9 ∠OSFb O 110.2 ∠FbSFb S—O (re) 1.4308 ∠OSO (θe) S—O 1.404 S—Cl 2.011
UV ED, MW ED LMR UV MW MW UV ED
97.8 (D3h) 91.70 93.345
1.993 ∠FPF
101.3
2.281 99.1
ED ED UV MW MW MW MW ED UV ED MW MW MW UV MW MW MW
(Td)
(C3v)
linear 2.229
ED ED MW MW ED MW MW ED MW MW
1.553 1.904 (C2v) 98.20
2.072 108.0 1.583 92.2 S—Fa ∠OSFa ∠FaSFb (C2v) 119.329 ∠OSO
ED, MW UV ED
ED 1.575 90.7 89.6
123.5
ED
MW ED
Bond Lengths and Angles in Gas-Phase Molecules
9-26 Compound
S2O2
∠ClSCl S—O ∠FSF S—O Si—H S—S (re) S—Br ∠SSBr S—Cl ∠SSCl S—O
S8
S
SO2F2 SO3 S(SiH3)2 S2 S2Br2 S2Cl2
100.0 1.397 97 1.494
1.458
S S
S S
S S
SbCl3 SbH3 SeF SeF6 SeO SeOF2 SeO2 SeO3 Se2 Se6 SiBrF3 SiBrH3 SiClH3 SiCl4 SiF SiFH3 SiF2 SiF3H SiF4 SiH SiH3I SiH4 SiN SiO SiS SiSe Si2 Si2Cl6 Si2F6 Si2H6 SnCl4 SnH
1.4198 1.8892 2.24 105 2.057 108.2
Structure (C2v) S—F 1.530 (C2v) Si—S
2.136
Method
(D3h)
S—S dihedral angle of internal rotation S—S dihedral angle of internal rotation S—S 2.025 S—S ∠SSS (D4d)
2.07 105
∠OSO
123
∠SiSSi
97.4
1.98 83.5 1.931 84.1 (C2) ∠OSS 112.8 planar cis form
ED IR ED R ED ED MW ED
S
Sb—Cl Sb—H Se—F Se—F Se—O (re) Se—O ∠OSeF Se—O (re) Se—O Se—Se (re) Se—Se Si—F ∠FSiBr Si—H ∠HSiBr Si—H ∠HSiCl Si—Cl Si—F Si—H ∠HSiH Si—F (re) Si—H (re) ∠HSiF (θe) Si—F Si—H (re) Si—H ∠HSH Si—H N—Si (re) Si—O (re) Si—S (re) Se—Si (re) Si—Si (re) Si—Si ∠ClSiCl Si—Si ∠FSiF Si—H ∠SiSiH Sn—Cl Sn—H (re)
2.333 ∠ClSbCl 97.2 1.704 ∠HSbH 91.6 1.742 1.69 (Oh) 1.6393 1.576 Se—F 1.730 104.82 ∠FSeF 92.22 1.6076 ∠OSeO (θe) 113.83 1.69 (D3h) 2.1660 2.34 ∠SeSeSe 102 six-membered ring with chair conformation 1.560 Si—Br 2.153 108.5 (C3v) 1.485 Si—Br 2.210 107.8 (C3v) 1.482 Si—Cl 2.048 107.9 (C3v) 2.019 (T4) 1.6008 1.484 Si—F 1.593 110.63 (C3v) 1.590 ∠FSiF (θe) 100.8 1.4468 Si—F (re) 1.5624 110.64 1.553 (Td) 1.5201 1.485 Si—I 2.437 107.8 1.4798 (Td) 1.572 1.5097 1.9293 2.0583 2.246 2.32 Si—Cl 2.009 109.7 2.317 Si—F 1.564 108.6 1.492 Si—Si 2.331 110.3 ∠HSiH 108.6 staggered form (assumed) 2.280 (Td) 1.7815
ED MW MW ED MW MW MW ED UV ED MW MW MW ED UV MW, IR MW MW ED UV MW IR UV MW MW MW UV ED ED ED
ED UV
Bond Lengths and Angles in Gas-Phase Molecules Compound SnH4 SnO SnS SnSe SnTe SrH SrO SrS TaCl5 TaO TeF6 Te2 ThCl4 ThF4 TlBr TlCl TlF TlH TlI TiBr4 TiCl4 TiO TiS UF6 V(CO)6 VCl3O VCl4 VF5 VO W(CO)6 WClF5
Sn—H Sn—O S—Sn (re) Se—Sn (re) Sn—Te (re) Sr—H (re) Sr—O (re) S—Sr (re) Ta—Cleq Ta—O (re) Te—F Te—Te (re) Th—Cl Th—F Tl—Br (re) Tl—Cl (re) Tl—F (re) Tl—H (re) Tl—I (re) Ti—Br Ti—Cl Ti—O (re) Ti—S (re) U—F V—C V—O ∠ClVCl V—Cl V—F (average) V—O (re) W—C Cl F b
Fb W Fb F
Fb
9-27
Structure 1.711 (Td) 1.8325 2.2090 2.3256 2.5228 2.1455 1.9198 2.4405 2.227 Ta—Clax 2.369 (D3h) 1.6875 1.815 (Oh) 2.5574 2.58 (Td) 2.14 (Td) 2.6182 2.4848 2.0844 1.870 2.8137 2.339 (Td) 2.170 (Td) 1.620 2.0825 1.996 (Oh) 2.015 C—O 1.138 (Oh, involving dynamic Jahn-Teller effect) 1.570 V—Cl 2.142 111.3 2.138 (Td, involving dynamic Jahn-Teller effect) 1.71 1.5893 2.059 C—O 1.149 (Oh) W—Cl 2.251 W—F (average) 1.836 88.7 ∠FaWFb
Method R, IR MW MW MW MW UV MW UV ED UV ED UV ED ED MW MW MW UV MW ED ED UV UV ED ED ED, MW ED ED UV ED MW
a
WF4O WF6 XeF2 XeF4 XeF6 XeO4 ZnH ZrCl4 ZrF4 ZrO
W—O ∠FWF W—F Xe—F Xe—F Xe—F Xe—O Zn—H (re) Zr—Cl Zr—F Zr—O (re)
1.666 86.2 1.832 1.977 1.94 1.890 1.736 1.5949 2.32 1.902 1.7116
W—F 1.847 (C4v) (Oh) linear (D4h) (large-amplitude bending vibration around the Oh structure) (Td) (Td) (Td)
ED ED IR ED ED ED UV ED ED UV
Bond Lengths and Angles in Gas-Phase Molecules
9-28
STRUCTURES OF ORGANIC MOLECULES
Compounds are arranged in alphabetical order by chemical name; cross references are given for common synonyms (lengths in Å and angles in degrees) Compound
Structure
Acetaldehyde
O Cb H 3
Ca H
Acetamide CH3CONH2
Ca—Cb ∠HCbH C—O C—C C—H ∠CCN
1.515 109.8 1.220 1.519 1.124 115.1
Acetic acid
Oa C
CH3
Ob H
Acetone (CH3)2CO Acetonitrile CH3CN Acetonitrile oxide CH3CNO Acetyl chloride CH3COCl Acetyl cyanide → Pyruvonitrile Acetylene HC≡CH Acrolein → Acrylaldehyde Acrylaldehyde
C—H ∠CCOb C—C C—H ∠HCH
1.10 110.6 1.520 1.103 108.5
C—H C—N C—C N—O C—H C—C ∠HCH ∠CCCl C—H (re)
Cc Ca
Acrylonitrile
Acryloyl chloride
Ca Cb H Allene
C—C
124.1 115.3 1.380 1.022 122.0
C—C C—Oa C—Ob
1.520 1.214 1.364
∠CCOa
126.6
ED
ED
C—C ∠CCH C—N (C3v) C—O C—Cl ∠OCCl
ED, MW
1.187 1.798 121.2
ED, MW
1.060
C—C (re)
1.203
IR
Cb—Cc Ca—Cb Cc—O Ca—H Cc—H ∠CbCcO other CCH angles (average)
1.484 1.345 1.217 1.10 1.13 123.3 122
ED, MW
1.343 1.438 1.167 1.114 121.7 120 1.48 1.35 1.19 120 (assumed) 121.5 (assumed) 123 116 127 1.087
ED, MW
O
H
H
∠CbCaO ∠CbCaH C—N N—H ∠NCO
ED, MW
1.107 1.159 1.442 1.217 1.105 1.506 108.6 111.6
∠CaCbCc 120.3 114 ∠HCcCb planar s-trans form
∠CbCcN C—H Cc—Cl H
1.210 1.107 1.128
ED, MW
Cb
H
Ca—O Cb—H Ca—H
C—O 1.213 ∠CCC 116.0 symmetry axis of each methyl group is tilted 2° from the C—C bond
H H
Method
Ca—Cb Cb—Cc Cc—N Ca—H ∠CaCbCc 178 ∠HCC 1.086 (assumed) Cb—Cc 1.82 Ca—Cb Cc—O ∠CaCbH Cl ∠CbCaH Cc ∠CaCbCc O ∠CbCcCl ∠CbCcO 1.3084 C—H
1.468 109.7 1.169
MW
MW
IR
Bond Lengths and Angles in Gas-Phase Molecules CH2=C=CH2 Allyl chloride
Compound
Structure 118.2
∠HCH
∠CCCl Aniline C6H5NH2 Azetidine
Aziridine
Azomethane CH3N=NCH3 Benzene C6H6 p-Benzoquinone
Biacetyl CH3COCOCH3
109.6
Method cis conformer skew conformer CCCCl
C—Cl 1.811 ∠CCCl 115.2 C—Cl 1.809 dihedral angle of internal rotation 122.4
C—C 1.392 C—N N—H 0.998 ∠HNH dihedral angle between the NH2 plane and the N—C bond C—N CH2 CH2 C—C CH2 NH C—H N—H 1.03 ∠CNC ∠CCC 86.9 ∠CCN dihedral angle between the CCC and CNC planes N—H Ha N—C Hb N Hb C—C C C C—H Hc Hc ∠CNC ∠HaNC 115.7 ∠HbCC ∠HbCHc 118.3 ∠HcCC ∠HbCN 114.3 ∠HcCN C—N 1.482 N—N ∠CNN 112.3 trans conformer C—C 1.399 C—H
C—O C—H ∠CCC
Bicyclo[1.1.0]butane
1.215 1.108 116.2
Ha Ca
Hb Cb Hc
Bicyclo[2.2.1]hepta-2,5-diene
9-29
Ca Ha
∠CbCaHa ∠CaCaHa
Hb Cb
HCb
130.4 128.4
C aH Ca H
1.431 113.9 140.6 1.482 1.553 1.107 92.2 85.8 147 1.016 1.475 1.481 1.084 60.3 109.3 117.8 119.3
MW
1.247
ED
1.101
ED, IR
Ca—O Cb—Cb Ca—Cb ∠CbCaCb
1.225 1.344 1.481 118.1
ED
C—C (average) ∠CCO trans conformer Ca—Ca Ca—Cb Ca—Ha Cb—Hb, Cb—Hc ∠HbCbHc
1.524 119.5
ED
1.497 1.498 1.071 1.093 115.6
MW
Cb H
Cb H
∠CaCbCa 60.0 dihedral angle between the two CaCaCb planes Ca—Cb 1.535 1.343 Cb—Cb 1.573 Ca—Cc C—H 1.12 94 ∠CaCcCa
dihedral angle between the two CaCbCbCa planes Bicyclo[2.2.1]heptane C7H12
ED
MW
Hc
H2 Cc HCb
MW
See the preceding molecule for the labels of the C atoms Ca—Cb 1.54 Cb—Cb 1.56 C—C (average) Ca—Cc 93.1 dihedral angle between the two CaCbCbCa planes –CaCcCa
(C2v) 1.56 1.549
121.7
ED
115.6 ED
113.1
Bond Lengths and Angles in Gas-Phase Molecules
9-30 Compound Bicyclo[2.2.0]hexa-2,5-diene
Structure
H Ca
HCb HCb
Bicyclo[2.2.2]octane
Bicyclo[1.1.1]pentane C5H8 Bicyclo[2.1.0]pentane
Cb H
Ca H
1.345 1.574 1.524
Method ED
117.3
Ca—Cb HCa(CbH2CbH2)3CaH 1.55 ∠CaCbCb Cb—Cb C—C (average) 1.542 large-amplitude torsional motion about the D3h symmetry axis C—C 1.557 ∠CCC
1.54 109.7
ED
74.2
ED
Ca—Ca Cb—Cb Ca—Cb CcH2 Ca—Cc Dihedral angle between the CaCaCbCb and CaCaCc planes C—C (intra-ring) (inter-ring) torsional dihedral angle between the two rings
1.536 1.565 1.528 1.507 112.7 1.396 1.49
MW
Cb H 2
Cb H2
Biphenyl
Cb H
Cb—Cb Ca—Ca Ca—Cb dihedral angle between the two CaCbCbCa planes
CaH
Ca H
∼40
4,4′-Bipyridyl
C—C, C—N (intra-ring)
Bis (cyclopentadienyl) beryllium (C5H5)2Be Bis (cyclopentadienyl) iron → Ferrocene Bis (cyclopentadienyl) lead (C5H5)2Pb Bis (cyclopentadienyl) manganese (C5H5)2Mn Bis (cyclopentadienyl) nickel (C5H5)2Ni Bis (cyclopentadienyl) ruthenium (C5H5)2Ru Bis (cyclopentadienyl) tin (C5H5)2Sn Bis (trifluoromethyl) peroxide CF3OOCF3
Be—(cyclopentadienyl plane) 1.470, 1.92 C—C 1.423 (C5v) (The Be atom has two equilibrium positions)
ED
C—C 1.430 Pb—C 2.79 dihedral angle between the two C5H5 planes 40∼50 (The two rings are not parallel.) Mn—C 2.383 C—C 1.429 (D5h)
ED ED
Ni—C
2.196
C—C
ED
C—C
1.439
Ru—C
C—C C—H O—O C—F ∠FCF
1.431 1.14 1.42 1.320 109.0
Borine carbonyl BH3CO
B—H C—O ∠BCO Br
1.194 1.131 180
Sn—C (D5h) C—O ∠COO COOC dihedral angle of internal rotation B—C ∠HBH (C3v) C—H Cc—Cd Cb—Cc C—Br Ca—Cb ∠CbCaCb
Bromobenzene
Ca Cb H
HCb
CcH
HCc Cd H Bromoform CHBr3 Bromoiodoacetylene IC≡CBr
C—Br ∠BrCBr C—I C—Br
1.924 111.7 1.972 1.795
1.375 C—C (inter-ring) torsional dihedral angle between the two rings
ED
C—H (C3v) C—C
ED
1.465 ∼37
1.430 (D5h) 2.196
ED
2.71
ED
1.399 107
ED
123 1.540 113.9
MW
1.072 1.401 1.375 1.85 1.42 117.4
MW
1.11
ED, MW
1.206
ED
Bond Lengths and Angles in Gas-Phase Molecules 1,3-Butadiene
Compound
9-31
Structure
CaH2 Cb H
Cb H CaH2
1,3-Butadiyne
Butane CH3CH2CH2CH3 2-Butanone → Ethyl methyl ketone Butatriene 2-Butene
3-Buten-1-yne → Vinylacetylene tert-Butyl chloride (CH3)3CCl tert-Butyl cyanide → Pivalonitrile 2-Butyne
Carbon C2 Carbon C3 Carbon suboxide → Tricarbon dioxide Carbon tetrabromide CBr4 Carbon tetrachloride CCl4 Carbon tetrafluoride CF4 Carbon tetraiodide CI4 Carbonyl cyanide CO(CN)2 Chloroacetylene HC≡CCl Chlorobenzene C6H5Cl Chlorobromoacetylene ClC≡CBr Chlorocyanoacetylene ClC≡CCN Chloroethane → Ethyl chloride 2-Chloroethanol ClCH2CH2OH
Chloroethylene → Vinyl chloride Chloroform CHCl3 Chloroiodoacetylene ClC≡CI Chloromethane → Methyl chloride
∠CbCaH HCa≡Cb—Cb≡CaH Ca—Cb
120.9 1.218
C—C 1.531 ∠CCC 113.8 trans conformer 54%
Cb—Cb Ca—Cb C—H (average) ∠CCC
Method ED
1.467 1.349 1.108 124.4
anti conformer (C2h) C—H 1.09 Cb—Cb 1.384 linear C—H 1.117 ∠CCH 111.0 dihedral angle for the gauche conformer
ED
ED 65
H2Ca=Cb=Cb=CaH2 1.32 Ca—Cb CaH3—CbH=CbH—CaH3 cis conformer Ca—Cb 1.346 Cb—Cb 125.4 ∠CaCbCb
C—H Cb—Cb
1.08 1.28
1.506 1.347 123.8
trans conformer 1.508
C—H C—Cl ∠CCH
1.102 1.828 110.8
C—C ∠CCCl ∠CCC
1.528 107.3 111.6
C—H 1.214 110.7 1.3119 1.277
1.116 Ca—Cb
ED 1.468
CaH3—Cb≡Cb—CaH3 Cb—Cb ∠CbCaH C—C (re) C—C
ED
(D2h)
ED
ED, MW
linear
UV UV
C—Br
1.935
(Td)
ED
C—Cl
1.767
(Td)
ED
C—F
1.323
(Td)
ED
C—I
2.15
(Td)
ED
C—O C—N ∠CCN C—H C—Cl C—C C—H ∠CC(H)C Cl—C C—Br C—Cl C—CN
1.209 1.153 180 1.0550 1.6368 1.400 1.083 120 1.636 1.784 1.624 1.362
C—C ∠CCC
1.466 115
ED, MW
C—C
1.2033
MW
C—Cl ∠CC(Cl)C
1.737 121.7
ED
C—C
1.206
ED
C—C C—N
1.205 1.160
ED
1.519 1.093
ED
C—O 1.413 C—C C—Cl 1.801 C—H O—H 1.033 ∠CCCl 110.7 fraction of the gauche conformer at 37°C is 92 ∼ 94%, dihedral angle of internal rotation 62.4 C—H ∠ClCCl C—Cl C—C
1.100 C—Cl 111.3 (C3v) 1.63 C—I 1.209 (assumed)
∠CCO
113.8
1.758
MW
1.99
MW
Bond Lengths and Angles in Gas-Phase Molecules
9-32 Compound 3-Chloropropene → Allyl chloride Cyanamide H2NaCNb Cyanoacetylene H—Cb≡Ca—Cc≡N Cyanocyclopropane C3H5CaN Cyanogen (CN)2 Cyclobutane (CH2)4 Cyclobutanone
Cyclobutene
Cyclohexane C6H12 Cyclohexene
Cyclooctatetraene
1,3-Cyclopentadiene
Structure 1.346 C—Nb Na—C N—H 1.00 ∠HNH dihedral angle between the NH2 plane and the N—C bond 1.058 Ca—Cb Cb—H Ca—Cc 1.378 Cc—N C—C (ring) 1.513 C—Ca C—H 1.107 Ca—N ∠HCH 114.6 ∠CaCH C—N 1.163 C—C
1.160 114 142 1.205 1.159 1.472 1.157 119.6 1.393 linear 1.555
C—H 1.113 C—C dihedral angle between the two CCC planes 145 Ca—Cb 1.527 Cb H 2 1.556 Cb—Cc CcH2 Ca O 93.1 ∠CbCaCb Cb H2 88.0 ∠CaCbCc Cb—Cb 1.342 Ca—Ca 1.566 Ca—H 1.094 Ca—Cb 1.517 Cb—H 1.083 ∠CbCbH 133.5 ∠CaCbCb 94.2 85.8 ∠CaCaH 114.5 ∠CaCaCb ∠HCaH 109.2 dihedral angle between the CH2 plane and the Ca—Ca bond 135.8 C—C 1.536 C—H 1.119 ∠CCC 111.3 chair form Ca—Ca 1.334 HCa CaH 1.50 Ca—Cb H2 Cb Cb H2 1.52 Cb—Cc CcH2 CcH2 1.54 Cc—Cc 123.4 ∠CaCbCc 112.0 ∠CaCaCb 110.9 (C2) half-chair form ∠CbCcCc Ca—Cb 1.476 C—H 1.100 1.340 Ca—Ca,Cb—Cb 126.1 ∠CbCaCa, ∠CaCbCb dihedral angle between the CaCaCaCa and CaCbCbCa planes tub form (D2d) Ca—Cb CaH2 Cb—Cc HCb Cb H Cc—Cc ∠CaCbCc HC C H c
Cyclopentadienylindium
Method
c
∠CbCcCc
109.4
∠CbCaCb In—C C—C (C5v)
MW
MW MW
ED ED MW
MW
ED ED
ED
136.9 1.509 1.342 1.469 109.3 102.8 2.621 1.426
MW
ED
Cyclopentane (CH2)5
C—H 1.114 C—C 1.546 ∠CCH 111.7 (The out-of-plane vibration of the C atoms is essentially free pseudorotation; average value of the displacements of the C atoms from the molecular plane 0.43)
ED
Cyclopentene
Ca—Cb Cb—Cc Cc—Cc CcH CcH ∠CbCaCb 110.0 ∠CaCbCc ∠CbCcCc dihedral angle between the CbCaCb and CbCcCcCb planes C—C 1.512 C—H ∠HCH 114.0
ED
CaH2
H 2 Cb
Cyclopropane (CH2)3
Cb H 2
1.546 1.519 1.342 104.0 103.0 151.2 1.083
R
Bond Lengths and Angles in Gas-Phase Molecules Compound Cyclopropanone
H 2 Cb
Structure C—H Cb—Cb ∠CaCbCb
∠HCbH
114
H 2 Cb Ca O
Cyclopropene
Ca H 2 Cb H
HCb
Decalin C10H18 Dewer benzene → Bicyclo[2.2.0] hexa-2,5-diene Diacetylene → 1,3-Butadiyne 1,4-Diazabicyclo[2.2.2]octane
2,3-Diaza-1,3-butadiene → Formaldehyde azine Diazirine
Ca—H ∠HCaH C—C (average) ∠CCC (average)
1.112 118 1.530 111.4
N N
Diazoacetonitrile
H Cb Ca Na
Dibromomethane CH2Br2 2,2′-Dichlorobiphenyl C6H4Cl—C6H4Cl
trans-1,4-Dichlorocyclohexane C6H10Cl2
1,1-Dichloroethane CHCl2CH3 1,2-Dichloroethane CH2ClCH2Cl
1,1-Dichloroethylene CH2=CCl2 cis-1,2-Dichloroethylene
1.086 1.575 57.7
Nb Nc
Ca—Cb Ca—O
1.475 1.191
dihedral angle between the CH2 plane and the Cb—Cb bond Cb—Cb 1.304 1.519 Ca—Cb 1.077 Cb—H ∠CbCbH 133 C—H (average)
C—N C—C ∠NCC ∠CNC large-amplitude torsional motion about the D3h symmetry axis
CH2
Diazomethane CH2N2 1,2-Dibromoethane CH2BrCH2Br
9-33
C—H C—N N—N ∠HCH Cb—Nb Nb—Nc Ca—Na C—H Ca—Cb
151
Method MW
ED
1.113
ED
1.472 1.562 110.2 108.7
ED
1.09 1.482 1.228 117 1.280 1.132 1.165 1.082 1.424
MW
117 ∠CaCbNb 119.5 ∠CaCbH C—H 1.075 C—N 1.32 N—N 1.12 ∠HCH 126.0 linear C—C 1.506 C—Br 1.950 C—H 1.108 ∠CCBr 109.5 110 fraction of the trans conformer at 25°C 95% ∠CCH C—H 1.08 C—Br 1.924 ∠HCBr 109 ∠BrCBr 113.2 C—C 1.398 C—C inter-ring 1.495 C—Cl 1.732 C—H 1.10 ∠CCCl 121.4 ∠CCH 126 dihedral angle between the two aromatic rings 74 (defined to be 0 for that of the cis conformer) C—H 1.102 C—Cl 1.810 C—C 1.530 ∠CCC 111.5 ∠CCCl (ee) 108.6 ∠CCCl (aa) 110.6 ∠HCCl (ee) 111.5 ∠HCCl (aa) 107.6 ee 49% aa 51% e: equatorial, a: axial C—Cl 1.766 C—C 1.540 ∠ClCCl 112.0 ∠CCCl 111.0 C—C 1.531 C—Cl 1.790 C—H 1.11 ∠CCCl 109.0 ∠CCH 113 fraction of the trans conformer at room temperature 73%, that of the gauche conformer 27% C—C 1.32 (assumed) C—Cl 1.73 ∠ClCC 123 (C2v) C—Cl 1.718 C—C 1.354
MW
MW, IR ED
ED ED
ED
MW ED
MW ED
Bond Lengths and Angles in Gas-Phase Molecules
9-34 Compound CHCl=CHCl Dichloromethane CH2Cl2 1,1-Difluoroethane CH3CHF2 1,2-Difluoroethane CH2FCH2F 1,1-Difluoroethane CH2=CF2 cis-1,2-Difluoroethylene CHF=CHF Difluoromethane CH2F2 Dimethoxymethane
Dimethylacetylene → 2-Butyne Dimethylamine (CH)2NH Dimethylberyllium (CH3)2Be Dimethylcadmium (CH3)2Cd Dimethyl carbonate
Structure ∠ClCC 123.8 1.087 C—Cl (re) C—H (re) ∠HCH (θe) 111.5 ∠ClCCl (θe) C—C 1.498 C—H (average) C—F 1.364 ∠CCH (average) 110.7 dihedral angle between the two CCF planes ∠CCF C—F 1.389 C—C C—H 1.103 ∠CCF 111 dihedral angle of internal rotation ∠CCH fraction of the gauche conformer at 22°C 94% C—C 1.340 C—F C—H 1.091 ∠CCF ∠CCH 119.0 C—C 1.33 C—F C—H 1.099 ∠CCF ∠CCH 124.1 C—H 1.093 C—F ∠HCH 113.7 ∠FCF Ca—O Cb—O C—H (average)
S,S′-Dimethyl dithiocarbonate
Dimethyl ether (CH3)2O Dimethylglyoxal → Biacetyl N,N′-Dimethylhydrazine
ED
1.315 124.7
ED, MW
1.342 122.0
ED, MW
1.357 108.3 1.432 1.382 1.108
MW ED
114.3
C—H C—N ∠CNH ∠HCH Be—C ∠BeCH C—Cd
1.106 1.455 107 107 1.698 113.9 2.112
N—H ∠CNC ∠NCH
1.00 111.8 112
ED
C—H CBeC linear ∠HCH
1.127
ED
108.4
R
Cb—Ob Cb—Oa Ca—Oa
1.209 1.34 1.42
ED
∠CbOaCa Cb—Na ∠CaNCa
114.5 1.338 115.5
CaH3 Oa Ob
∠OaCbOa Cb—Nb Ca—Na ∠CaNCb CH3 Hb
Ht
Dimethyl disulfide (CH3)2S2
ED
∠OCO
B
Dimethyl diselenide (CH3)2Se2
MW, IR
114.6 110.3
Cb
1,2-Dimethyldiborane
1.765 112.0 1.081 111.0 118.9 1.503 110.3 109
∠COC ∠OCH
CaH3 Oa Dimethylcyanamide (CaH3)2Na—Cb≡Nb
Method
107 1.161 1.463 116.0 CH3
B Hb
Ht
B—B B—C B—Hb
1.799 1.580 1.358 (cis), 1.365 (trans)
1.24 122.6 (cis), 121.8 (trans) 1.13 C—Se 2.326 ∠CSeSe 108 dihedral angle between the CSeSe and SeSeC planes 1.816 S—S 1.105 ∠SSC 111.3 CSSC dihedral angle of internal rotation Cb—O CaH3 SCb SCaH3 Cb—S O Ca—S ∠OCS 124.9 ∠CSC syn-syn conformer C—O 1.416 C—H ∠COC 112 ∠HCH
B—Ht ∠BBC C—H Se—Se ∠HCSe C—S C—H ∠SCH
N—N
1.42
C—N
ED
1.95 98.9 2.029 103.2 85 1.206 1.777 1.802 99.3
ED
ED 88
ED
ED
1.121 108
ED
1.46
ED
Bond Lengths and Angles in Gas-Phase Molecules Compound CH3NH—NHCH3 Dimethylmercury (CH3)2Hg Dimethylphosphine (CH3)2PH Dimethyl selenide (CH3)2Se Dimethyl sulfide (CH3)2S Dimethyl sulfone (CH3)2SO2 Dimethyl sulfoxide (CH3)2SO Dimethylzinc (CH3)2Zn 1,4-Dioxane
CH2 CH2 O
O
9-35
Structure N—H 1.03 C—H CNNC dihedral angle of internal rotation ∠NNC 112 C—Hg 2.083 C—H Hg···H 2.71 C—P 1.848 P—H ∠CPC 99.7 ∠CPH C—H 1.093 Se—C ∠CSeC 96.2 ∠SeCH ∠HCH 110.3 C—S 1.807 C—H ∠CSC 99.05 ∠HCH C—H 1.114 S—O S—C 1.771 ∠CSC ∠OSO 121 C—H 1.081 C—S S—O 1.485 ∠CSC ∠CSO 106.7 ∠HCH dihedral angle between the SCC plane and the S—O bond Zn—C 1.929 ∠HCH C—C C—H ∠CCO
1.523 1.112 109.2
1.12 90 1.160 (assumed) 1.419 97.0 1.943 108.7
Method
ED MW MW
1.116 109.3 1.435 102
ED, MW
1.799 96.6 110.3 115.5 107.7
MW
ED
R
C—O ∠COC chair form
1.423 112.45
ED
C—H staggered conformation Ca—H Ca—Cb S—H ∠CaCbH ∠CaSH C—C O—H Cb—H ∠COH ∠CaCbH
1.0940
MW
1.090 1.530 1.350 109.7 96.4 1.512 0.971 1.09 105 110
MW
CH2 CH2 Ethanal → Acetaldehyde Ethane C2H6 Ethanethiol
Ethanol
Ethyl chloride
Ethylene CH2=CH2 Ethylenediamine H2NCH2CH2NH2 Ethylene dibromide → 1,2Dibromoethane Ethylene dichloride → 1,2Dichloroethane Ethyleneimine → Aziridine Ethylene oxide CH2
O CH2 Ethylene sulfide → Thiirane
C—C 1.5351 ∠CCH 111.17 CbH3—CaH2—SH 1.093 Cb—H 1.829 Ca—S 109.6 ∠CbCaH 108.3 ∠CbCaS CbH3CaH2OH C—O 1.431 1.10 Ca—H ∠CCO 107.8 111 ∠CbCaH staggered conformation
∠HbCbHb ∠CbCaHa C—H ∠CCH C—N C—H gauche conformer
C—C C—Cl C—H Ca—Ha=Cb—Hb (assumed) ∠CCCl ∠HaCaHa
109.8 110.6 1.087 C—C 121.3 1.469 C—C 1.11 ∠CCN dihedral angle between the NCC and CCN planes
C—C 1.466 C—H C—O 1.431 ∠HCH dihedral angle between the NH2 plane and the N—C bond
MW
1.528 1.802 1.103
ED, MW
110.7 109.2 1.339
MW
1.545 110.2
ED
1.085 116.6 158.0
64
MW
Bond Lengths and Angles in Gas-Phase Molecules
9-36 Compound Ethyl methyl ether C2H5OCH3
Ethyl methyl ketone
Structure C—O (average) 1.418 C—H (average) 1.118 ∠OCC 109.4 fraction of the trans conformer at 20°C O
C—C ∠COC ∠HCH 80%
C—C (average) Cc—O Cc C—H (average) Cb H 2 CdH3 ∠CaCbCc trans conformer ∠CbCcO, ∠CdCcO 121.9 C—S (average) 1.813 C—C C—H 1.111 ∠CSC ∠SCC 114.0 ∠HCH fraction of the gauche conformer at 20°C 75% C—C 1.440 C—H Fe—C 2.064 (D5h) C—H 1.098 C—F ∠FCF 108.8 (C3v) C—H 1.116 C—O ∠HCH 116.5 1.418 H2C=N—N=CH2 N—N C—N 1.277 C—H ∠CNN 111.4 ∠HCN fraction of the trans conformer at –30°C 91% C aH 3
Ethyl methyl sulfide C2H5SCH3 Ferrocene (C5H5)2Fe Fluoroform CHF3 Formaldehyde H2CO Formaldehyde azine
Formaldehyde dimethylacetal → Dimethoxymethane Formaldoxime
Ha
Formamide
N—O ∠HbCN ∠HaCN
Hc N
Formic acid
Formic acid dimer
Ob—H ∠HCOa ∠CObH
Formyl radical
C—Oa C—Ob
1.202 1.343
1.097 124.9
C—H ∠HCO
C—H ∠OaCOb planar Oa···Ob C—Oa C—Ob ∠OaCOb ∠COaOb 1.110 127.43
1.13 107.7
Ca—Cd Ca—Cb Cb—Cc Cc—Cc Cb—H Cc—H ∠CbCaCb ∠CbCcCc
MW
ED, MW
MW
H 0.972 124.1 106.3
Fulvene
Cd—H ∠CaCbCc
ED
1.094 120.7
125.0
C Ob
MW
∠NCO
Oa H
1.208
1.212 119.2
Ha
C—O ∠CNH (average)
MW
0.956 110.2 102.7 1.125 1.027 1.368
C
Hb
1.332
O—Hc ∠CNO ∠NOHc C—Ha N—H C—N
O
ED
ED
1.408 115.6 121.8
Hb
ED
1.104
1.085 1.086 1.276
N
C
1.518 1.219 1.102 113.5 95% 1.536 97 110
C—Ha C—Hb C—N
OHc
Method ED
1.520 111.9 109.0
2.703 1.220 1.323 126.2 108.5 C—O 1.349 1.470 1.355 1.476 1.078 1.080 106.6 109
ED
1.1712
MW MW
Bond Lengths and Angles in Gas-Phase Molecules Compound
2-Furaldehyde
Furan
Furfural → 2-Furaldehyde Glycolaldehyde
Structure 124.7 117
∠CaCbH ∠HCdH
Hexafluoroethane F3CCF3 Hexafluoropropene CF2=CFCF3 1,3,5-Hexatriene
Iminocyanide radical HNCN Iodocyanoacetylene I—Ca≡Cb—Cc≡N Isobutane (CbH3)3CaH Isobutylene → 2-Methylpropene Ketene CH2=C=O Malononitrile CaH2(CbN)2
126.4
Ca—Ce Ce—Ob Ce—H ∠CeCaCb
1.458 1.250 1.088 133.9
Method
MW
121.6
∠CaCbCb ∠CbCaO ∠CbCbHb
∠CaOCa ∠OCaHa
106.6 115.9
Cb—Ob Ca—Oa Ca—Cb Oa—Ha Cb—Hc Ca—Hb ∠CaCbHc ∠CaOaHa ∠HbCaHb
1.209 1.437 1.499 1.051 1.102 1.093 115.3 101.6 107.6
MW
1.212 121.2 (C2h (assumed)) 1.769
ED, UV
Hc
106.1 110.7 128.0
Ob
Ha H b Ca Hb Oa
Hexachloroethane Cl3CCCl3 2,4-Hexadiyne
∠CbCcH
116.9 ∠CaCeO ∠CaCeH trans conformer (with respect to the Oa and Ob atoms) Cb—Cb O Ha Ha Ca—Cb Ca Ca Ca—O Cb Cb Ca—Ha Cb—Hb Hb Hb
Cb
Glyoxal CHOCHO
9-37
122.7 ∠CaCbOb 111.5 ∠CbCaOa 109.2 ∠CbCaHb 109.7 ∠HbCaOa C—C 1.526 C—O C—H 1.132 ∠CCO ∠HCO 112 trans conformer C—C 1.56 C—Cl ∠CCCl 110.0 CaH3—Cb≡Cc—Cc≡Cb—CaH3 1.450 Cb—Cc Ca—Cb 1.377 Ca—H Cc—Cc C—C 1.545 C—F ∠CCF 109.8 staggered conformation average value of the C=C and C—F distances C—C 1.513 ∠CCC 124 ∠FCC (CF) ∠FCC (CF2) 110 ∠FCC (CF3) H2Ca=CbH—CcH=CcH—CbH=CaH2 1.337 Cb—Cc Ca—Cb 1.368 ∠CaCbCc Cc—Cc 124.4 ∠CbCcCc N—H 1.034 N···N ∠HNC 116.5 ∠NCN 1.985 Ca—Cb I—Ca Cb—Cc 1.370 Cc—N 1.122 Cb—H Ca—H Ca—Cb 1.535 ∠CbCaCb 111.4 ∠CaCbH C—C C—H C—H C—N ∠HCH
1.317 1.080 1.091 1.147 108.4
C—O ∠HCH C—C ∠CCC ∠CCN
1.431 1.361 1.362 1.075 1.077
1.208 1.09 1.326 1.329 127.8 120
1.458 121.7 2.470 ∼180 1.207 1.160 1.113 110.8
1.161 123.0 1.480 110.4 176.6
MW
ED ED
ED ED
ED
UV MW ED, MW
MW MW
Bond Lengths and Angles in Gas-Phase Molecules
9-38 Compound Methane CH4 Methanethiol CH3SH
Methanol CH3OH
Methyl radical ·CH3 N-Methylacetamide
Structure (The two N atoms are bent away from each other in the plane of Cb—Ca—Cb.) 1.0870 (Td) C—H (re)
MW
C—H 1.0936 C—O O—H 0.9451 ∠HCH ∠COH 108.53 angle between the CH3 symmetry axis and the C—O bond (The axis of the CH3 group is tilted away from the H atom with respect to the C—O bond.) C—H 1.08 planar
MW
H3 Ca
H Cb
Methyl azide
Methyl bromide CH3Br Methyl chloride CH3Cl Methyldiazirine
Methylene :CH2 Methylenecyclopropane
N CcH3
Cb—N ∠CbNCc ∠NCbO ∠CaCbN
1.386 119.7 121.8 114.1
3.27 UV
Ca—Cb N—Cc C—H
1.520 1.469 1.107
Cb—O
1.225
Ca—Cb Cb—Cc Cc—Cc
CcH2 Cb
CaH2
1.09 ∠CcCbCc Cc—H 114.3 ∠HCcH ∠HCaH dihedral angle between the CcH2 plane and the Cc—Cc bond Cb—Cc Cc H 2 Cc—O O Cb Ca H 2 Ca—Cb
CcH2
Methyl fluoride CH3F
1.4246 108.63
N—H 1.010 C—N C—H 1.099 ∠HNH ∠HNC 110.3 ∠HCH dihedral angle between the CH3 symmetry axis and the C—N bond (The axis of the CH3 group is tilted away from the NH2 group with respect to the C—N bond.) C—H CH3 C—Na Na Nb Nc Na—Nb 1.113 ∠CNaNb Nb—Nc NNN linear 1.086 C—Br (re) C—H (re) ∠HCH (θe) 111.2 (C3v) C—H 1.090 C—Cl ∠HCH 110.8 C—N 1.481 C—C N CH3 CH N—N 1.235 ∠NCN N dihedral angle between the CNN plane and the 122.3 C—C bond C—H 1.078 ∠HCH 130
CcH2
3-Methyleneoxetane
MW
C—H 1.09 C—S 1.819 S—H 1.34 ∠HSC 96.5 ∠HCH 109.8 angle between the CH3 symmetry axis and the C—S bond 2.2 (The axis of the CH3 group is tilted away from the H atom with respect to the C—S bond.)
O
Methylacetylene → Propyne Methylal → Dimethoxymethane Methylamine CH3NH2
Method
C—H ∠HCcH C—H (re) C—F (re)
1.09 (assumed) 114 (assumed) 1.095 1.382
1.471 107.1 108.0 2.9 1.09 1.468 1.216 116.8
ED
MW
ED
1.933
MW, IR
1.785
MW, IR
1.501 49.3
MW
1.332 1.457 1.542 63.9 113.5 150.8 1.52 1.45 1.33
∠CcCbCc ∠HCaH
87 120 (assumed
∠HCH (θe)
110.45 (C3v)
LMR MW
MW
MW, IR
Bond Lengths and Angles in Gas-Phase Molecules Compound Methyl formate
Structure
CaH3
Ob
Oa Cb Hb
Methylgermane CH3GeH3 Methyl hypochlorite CH3OCl Methylidyne radical :CH Methylidyne phosphide HCP Methyl iodide CH3I Methyl isocyanide Methylketene
114
Ge—H ∠HCH
1.529 108.4
MW
O—Cl ∠HCH
1.674 109.6
MW
1.0692
C—P (re)
1.5398
MW
C—H (re) ∠HCH (θe) CaH3—N≡Cb N—Cb
1.084 111.2 Ca—H 1.166
C—I (re) (C3v) 1.102 ∠NCaH O—Ca Cb—Cc Cc—H
2.132
MW, IR
Ca—N 1.424 109.12 1.171 1.518 1.10
MW
Cb—H ∠CaCbCc ∠CcCbH
1.083 122.6 123.7
C—H (C3v) C—Ha C—Hb C—O O—N
1.15
CcH3 Ca
Ca—Cb ∠OCaCb ∠CaCbH ∠HCH Hg—Cl Hg—C
O 1.306 180.5 113.7 109.2 2.282 1.99
H a Oa
Ha
N
Hb
O
Ob 1.205 110 112.7 112.4 1.858
N—Oa ∠OCHa ∠CON ∠ONOb C—P
CaH3
Hc Cb
Cc
CaH3
Methylstannane CH3SnH3 Methyl thiocyanate
∠COC
H—C (re)
C
Methylsilane CH3SiH3
1.08 1.206 1.393 1.101 (assumed)
127 110 1.083 1.945 109.3 1.103 1.389 112.8 1.1198
Cb
Methylphosphine CH3PH2 2-Methylpropane → Isobutane 2-Methylpropene
Method ED
Ca—H Cb—Ob C—O (average) Cb—H
∠OaCbOb ∠OaCaH C—H C—Ge ∠HGeH C—H O—C ∠COCl C—H (re)
H
Methylmercury chloride CH3HgCl Methyl nitrate
9-39
H
∠HCaCb (average) ∠CaCbCa ∠HCaH C—H Si—H ∠HSiH C—Sn
111.4 115.6 107.9 1.093 1.485 108.3 2.143
C aH 3 S Cb
N
∠CaSCb 99.0
S—Cb Cb—N ∠HCH
UV
MW
MW, NMR MW
1.10 1.09 1.437 1.402
N—Ob ∠OCHb ∠ONOa
103 118.1
C—H
1.094
ED
Ca—H Cc—Hc Ca—Cb Cb—Cc ∠HcCcHc
1.119 1.10 1.508 1.342 118.5
ED, MW
∠CaCbCc ∠CbCcH C—Si ∠HCH (C3v) Sn—H (C3v) 1.684 1.170
122.2 121 1.867 107.7
S—Ca C—H
1.824 1.081
110.6
∠HCS
108.3
MW
1.700
MW MW
Bond Lengths and Angles in Gas-Phase Molecules
9-40 Naphthalene
Compound
Neopentane C(CH3)4 Nickelocene → Bis (cyclopentadienyl) nickel Nitromethane CH3NO2 N-Nitrosodimethylamine (CH3)2NNO Nitrosomethane CH3NO Norbornane → Bicyclo[2.2.1]heptane Norbornadiene → Bicyclo[2.2.1]hepta2,5-diene 1,2,5-Oxadiazole
Structure
C—H
1.114
ED
C—H N—O ∠ONO N—O C—N ∠CNC C—N C—H ∠NCH
1.088 (assumed) 1.224 125.3 1.235 1.461 123.2 1.49 1.084 109.0
C—N ∠NCH
1.489 107
MW
N—N ∠ONN ∠CNN N—O ∠CNO
1.344 113.6 116.4 1.22 112.6
ED
O—N C—N C—C C—H ∠NCH O—C C—N N—N C—H ∠NCH
H Oa
Ob C
C
Oa
Ob H
Cl
O C
O
Oxirane → Ethylene oxide
Method ED
1.537 112
Oxalic acid
Oxetane
1.37 1.41 1.42 1.42 1.40 119.4
C—C ∠CCH
1,3,4-Oxadiazole
Oxalyl dichloride
Ca—Cb Cb—Cb Ca—Cc Cc—Cc C—C (average) ∠CaCcCc
C Cl
1.380 1.300 1.421 1.076 120.9 1.348 1.297 1.399 1.075 128.5 C—C C—Oa C—Ob Ob—H ∠CCOa ∠OaCOb ∠CObH C—O C—C C—Cl
∠NON ∠ONC ∠CCN ∠CCH planar ∠COC ∠OCN ∠CNN ∠OCH planar
MW
110.4 105.8 109.0 130.2
MW
102.0 113.4 105.6 118.1
MW
1.544 1.205 1.336 1.05 123.1 125.0 104
ED
1.182 1.534 1.744
∠CCO 124.2 ∠CCCl 111.7 fraction of the trans conformer at 0°C 68%, that of the gauche conformer 32% C—O 1.448 C—C 1.546 C—H (average) 1.090 ∠COC 92 ∠CCC 85 ∠OCC 92 ∠HCH (average) 109.9
ED
MW
Bond Lengths and Angles in Gas-Phase Molecules Phenol
Compound
Phosphirane
Structure
C—P C—C ∠CPC
CH2 PH CH2
Piperazine
l-Propenyl chloride Propiolaldehyde
Propylene → Propene Propylene oxide
Pyrazine
1.867 1.502 47.4
CH2
∠CNC
109.0
Ca—Cb Cb—Cc C—C ∠CCC
1.397 1.084 1.076 1.082 1.364 0.956 109.0 P—H C—H ∠HCH
95.7
Method MW
1.43 MW 1.09 114.4
1.540 1.467 1.110
ED
110.4
1.495 1.536
∠CCN (C2h) Ca—N ∠CcCbCc
1.159 110.5
MW
1.532 112
C—H ∠HCH
1.107 107
ED
Ca—Ha Ca—Cb Cc—Hd Cb—Cc ∠CbCaHa,b,c
1.104 1.341 1.117 1.506 121.3
ED, MW
∠CbCcHd 110.7 CH3—CbH=CaH—Cl Ca—Cl 121.9 ∠CbCaCl HaCa≡Cb—CcHcO 1.211 Ca—Cb 1.130 Cc—Hc 124.2 ∠CbCcO 178.6 ∠CaCbCc
∠CaCbCc 1.728 trans conformer Ca—Ha Cb—Cc Cc—O ∠CbCcHc planar
124.3 MW
CaH3 Cb H
Ca—Cb 1.51 121.0 ∠CaCbCc dihedral angle between the CbCcO plane 123.8 and the CaCb bond
CcH2 O
Propynal → Propiolaldehyde Propyne
C—C (average) Cb—H Cc—H Cd—H Ca—O O—H ∠COH
∠CCH 118 ∠HPC 95.2 dihedral angle between the PCC plane and the PH bond C—C CH2 CH2 C—N NH NH C—H
CH2
Pivalonitrile (CcH3)3Cb—Ca≡N Propadiene → Allene Propane C3H8 Propenal → Acrylaldehyde Propene
9-41
H3Cc—Cb≡CaH Cc—Cb Ca—H
Pyridazine
1.459 1.056
H H Cb C b HCa
CaH N
∠NCC
N
123.7
Cc—H Cb—Ca ∠HCcCb C—C 1.339 C—H 1.115 ∠CCH 123.9 N—Ca Ca—Cb N—N Cb—Cb ∠NNC
1.085 1.453 1.214 113.7
1.105 1.206 110.2 C—N 1.403 ∠CCN 115.6 1.341 1.393 1.330 1.375 119.3
ED, MW
MW
MW
ED
ED, MW
Bond Lengths and Angles in Gas-Phase Molecules
9-42 Pyridine
Compound
Pyrimidine
Structure
∠CaNCa ∠CaCbCc ∠NCaHa
Pyrrole
∠NCaCb ∠CbCcCb ∠CcCbHb N—C 1.340 ∠NCN 127.6 (C2v assumed)
116.8 118.5 115.9
H N Ha
Ca
Ca
H b Cb
Pyruvonitrile
Ha
Cb H b
Cb—Hb ∠NCaCb ∠NCaHa
1.077 107.7 121.5 O
CaH3
Cb Cc N
Ruthenocene → Bis (cyclopentadienyl) ruthenium Silacyclobutane
Spiropentane
Succinonitrile
Tetrachloroethylene CCl2=CCl2 Tetracyanoethylene (CN)2C=C(CN)2 Tetrafluoro-1,3-dithietane
Tetrafluoroethylene CF2=CF2 Tetrahydrofuran
N—Ca Cb—Cc Cb—Hb Ca—Cb Ca—Ha Cc—Hc
Ca—Cb ∠CaCbO ∠CCN
1.518 124.5 179
∠FCS C—C ∠CCF C—H
1.370 1.417 1.382 0.996 1.076 109.8 107.4 127.1 1.12 1.17 1.208 1.477
∠HCH ∠CaCbCc
109.2 114.2
CH2
113.7 1.31 123.8 1.115
123.9 118.3 121.3 C—C 1.393 ∠CNC 115.5
N—Ca Cb—Cb Ca—Cb N—H Ca—Ha ∠CaNCa ∠CaCbCb ∠CbCbH C—H C—N C—O Cb—Cc
Si—C C—C CH2 SiH2 Si—H C—H 1.14 ∠CSiC ∠SiCC 84.8 ∠CCC dihedral angle between the CCC and CSiC planes Cb—Cb Cb H 2 H 2 Cb Ca—Cb Ca C—H H 2 Cb Cb H 2 ∠CbCaCb ∠HCH 118 (D2d) C—C 1.561 C—C(N) CH2 CN C—N 1.161 C—H CH2 CN ∠CCC 110.4 fraction of the anti conformer at 170°C 74%, dihedral angle of CCCC for the gauche conformer C—Cl 1.718 C—C ∠ClCCl 115.7 C—N 1.162 C—C C=C 1.357 ∠CC=C C—S S C—F F2 C CF2 ∠CSC S CH2
1.340 1.394 1.081 1.395 1.084 1.077
(D2h assumed) C—F (D2h assumed) C—O
Method MW
ED
MW
ED, MW
1.892 1.600 1.47 80.7 99.8 146 1.52 1.47 1.09 62
ED
1.465 1.09
ED
75 1.354
ED
ED
1.435 121.1 1.785 1.314 83.2
ED ED
1.319
ED
1.428
ED
Bond Lengths and Angles in Gas-Phase Molecules Compound
CH2 CH2 O
9-43
Structure C—C 1.536 The skeletal bending vibration of the molecular plane is essentially free pseudorotation.
Method
CH2 CH2 Tetrahydropyran
H2 C H2 C
CH2
H2 C
CH2 O
Tetrahydrothiophene
CH2 CH2 S
C—O C—C C—H ∠COC ∠OCC
1.420 1.531 1.116 111.5 111.8
∠CCC (C) chair form C—S C—C ∠SCC
108
∠CCC (O)
111
1.839 1.536 106.1
C—H ∠CSC ∠CCC
1.120 93.4 105.0
Ge—C ∠GeCH Pb—C
1.945 108 2.238
C—H (Td excluding the H atoms) (Td excluding the H atoms)
1.12
C—H ∠HCH C—Sn C—H S N N
1.115 109.8 2.144 1.12 S—N C—N C—C C—H S—C N—N C—N C—H ∠NCH
C—Si (Td excluding the H atoms)
1.875
ED
CH2 CH2 Tetramethylgermane (CH3)4Ge Tetramethyllead (CH3)4Pb Tetramethylsilane (CH3)4Si Tetramethylstannane (CH3)4Sn 1,2,5-Thiadiazole
1,3,4-Thiadiazole
Thietane
Thiirane
Thioformaldehyde CH2S Thioformamide
Thiolane → Tetrahydrothiophene Thiophene
ED
1.847 1.549 1.100 112 154
C—S ∠HaNHb ∠HbNC ∠NCHc
C—Hc ∠HaNC ∠NCS ∠SCHc
1.10 117.9 125.3 127
Ca—Ha Cb—Hb Ca—S Ca—Cb Cb—Cb ∠CaSCa
1.078 1.081 1.714 1.370 1.423 92.2
Hb
1.626 121.7 120.4 108
ED ED
(Td excluding the H atoms) 1.631 ∠NSN 1.328 ∠CCN 1.420 ∠CCH HC CH 1.079 planar 1.721 ∠CSC S 1.371 ∠SCN HC CH 1.302 ∠CCN N N 1.08 ∠SCH 123.5 C—S C—C C—H (average) ∠CSC 76.8 ∠HCH (average) dihedral angle between the CCC and CSC planes C—C 1.484 ∠HCH H2 C C—H 1.083 ∠CSC S C—S 1.815 ∠CCS H2 C dihedral angle between the CH2 plane and the C—C bond 152 C—S 1.611 C—H ∠HCH 116.9 N—Ha S Ha N—Hb C N C—N
Hc
ED
99.6 113.8 126.2
MW
86.4 114.6 112.2 121.9 planar
MW
116 48.3 65.9
ED, MW
MW
1.093
MW
1.002 1.007 1.358
MW
MW
Bond Lengths and Angles in Gas-Phase Molecules
9-44 Compound
Toluene
1,1,1-Tribromoethane CH3CBr3 Tribromomethane → Bromoform Tri-tert-butyl methane HCa[Cb(CcH3)3]3 Tricarbon dioxide OCCCO Trichloroacetonitrile CCl3CN 1,1,1-Trichloroethane CH3CCl3 Trichloro(methyl)germane CH3GeCl3 Trichloro(methyl)silane CH3SiCl3 Trichloro(methyl)stannane CH3SnCl3 Triethylenediamine → 1,4-Diazabicyclo [2.2.2]octane Trifluoroacetic acid
1,1,1-Trifluoroethane CH3CF3 Trifluoromethane → Fluoroform 1,1,1-Trifluoro-2,2,2-trichloroethane CF3CCl3 Trimethylaluminium (CH3)3Al Trimethylamine (CH3)3N Trimethylarsine (CH3)3As Trimethylbismuth (CH3)3Bi Trimethylborane (CH3)3B Trimethyleneimine → Azetidine Trimethylphosphine (CH3)3P
∠SCaCb ∠SCaHa
C—Br C—C ∠BrCBr
Structure 115.5 ∠CaCbCb 119.9 ∠CbCbHb C—C (ring) 1.399 C—H (average) 1.11 the difference between the C—H(CH3) and C—H(ring): about 0.01 1.93 C—H 1.51 (assumed) ∠CCBr 111 ∠CCH
1.611 C—H Ca—Cb Cb—Cc 1.548 ∠CaCbCc C—O 1.163 C—C linear (with a large-amplitude bending vibration) C—N 1.165 C—C C—Cl 1.763 ∠ClCCl C—H 1.090 C—C C—Cl 1.771 ∠HCH ∠CCH 108.9 ∠ClCCl ∠CCCl 109.6 Ge—Cl 2.132 Ge—C C—H 1.103 (assumed) ∠ClGeCl ∠GeCH 110.5 (assumed) C—Si 1.876 Si—Cl (C3v) Sn—Cl 2.304 Sn—C C—H 1.100 ∠CSnCl ∠ClSnCl 104.7 ∠SnCH
C—CH3
112.5 124.3
Method
1.524
ED
1.095 (assumed) 108 109.0 (assumed)
MW
1.111 113.0 1.289
ED
1.460 110.0 1.541 110.0 109.4
ED
ED
MW
1.89 106.4
ED, MW
2.021
MW
2.10 113.9 108
ED
C—F C—C C—Oa
1.325 1.546 1.192
ED
C—Ob ∠CCOa ∠CCF C—C C—H ∠CCH
1.35 126.8 109.5 1.494 1.081 112
O—H ∠CCOb
0.96 (assumed) 111.1
C—F ∠CCF
1.340 119.2
ED
C—C C—Cl ∠CCCl C—H ∠AlCH C—N ∠CNC C—As ∠AsCH Bi—C ∠CBiC C—B ∠CBC
1.54 1.77 109.6 1.113 111.7 1.458 110.9 1.979 111.4 2.263 97.1 1.578 120.0
C—F ∠CCF staggered conformation Al—C ∠CAlC C—H ∠HCH ∠CAsC
1.33 110
MW
1.957 120 1.100 110 98.8
ED
ED
C—H
1.07
ED
C—H ∠BCH
1.114 112.5
ED
C—P ∠CPC
1.847 98.6
C—H ∠PCH
1.091 110.7
ED
ED
Bond Lengths and Angles in Gas-Phase Molecules 1,3,5-Trioxane
Compound
9-45
Structure
O H2 C
CH2
O
C—O ∠OCO ∠COC
O
1.422 112.2 110.3
Method MW
C H2 Triphenylamine (C6H5)3N
C—C 1.392 C—N 1.42 ED ∠CNC 116 (C3) torsional dihedral angle of the two phenyl rings 47° (defined to be 0 when the symmetry axis is contained in the phenyl planes)
Tropone
O Ca HCb
Cb H
HCc
CcH Cd H
Cd H
∠CbCcCd Vinylacetylene
126
Ha
Hc Ca C b
Hb
Cc Cd Hd
Vinyl chloride
∠CbCcCd ∠HbCaCb ∠CcCdHd
178 122 182
Hc
Cl C
Hb ∠CCCl ∠CCHb
C Ha 122.5 120
Ca—O Ca—Cb Cb—Cc Cc—Cd Cd—Cd ∠CbCaCb ∠CaCbCc
1.23 1.45 1.36 1.46 1.34 122 133
∠CcCdCd Cb—Cc Ca—Cb Cc—Cd Ca—Ha Cd—Hd ∠CaCbCc
130 (C2v) 1.434 1.344 1.215 1.11 1.09 123.1
∠HaCaCb ∠HcCbCa
119 122
C—C C—Cl C—H
1.342 1.730 1.09
∠CCHa ∠CCHc
124 121.1
ED
ED, MW
ED, MW
DIPOLE MOMENTS This table gives selected values of the electric dipole moment for over 800 molecules. When available, values determined by microwave spectroscopy, molecular beam electric resonance, and other high-resolution spectroscopic techniques were selected. Otherwise, the values come from measurements of the dielectric constant in the gas phase or, if these do not exist, in the liquid phase. Entries are listed alphabetically; compounds not containing carbon are listed first, followed by compounds containing carbon. The dipole moment is given in debye units (D). The conversion factor to SI units is 1 D = 3.33564 × 10–30 C m. Dipole moments of individual conformers (rotational isomers) are given when they have been measured. The conformers are designated as gauche, trans, axial, etc. The meaning of these terms can be found in the references. In some cases an average value, obtained from measurements on the bulk gas, is also given. Other information on molecules that have been studied by spectroscopy, such as the components of the dipole moment in the molecular framework and the variation with vibrational state and isotopic species, is given in the references. When the accuracy of a value is explicitly stated (i.e., 1.234 ± 0.005), the stated uncertainty generally indicates two or three standard deviations. When no uncertainty is given, the value may be assumed to be precise to a few units in the last decimal place. However, if more than three decimal places are given, the exact interpretation of the final digits may require analysis of the vibrational averaging. Values measured in the gas phase that are questionable because of undetermined error sources are indicated as approximate (≈). Values obtained by liquid phase measurements, which sometimes have large errors because of association effects, are enclosed in brackets, e.g., [1.8].
References 1. Nelson, R. D., Lide, D. R., and Maryott, A. A., Selected Values of Electric Dipole Moments for Molecules in the Gas Phase, Natl. Stand. Ref. Data Ser. — Nat. Bur. Stnds. 10, 1967. 2. Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, New Series, II/6 (1974), Springer-Verlag, Heidelberg. 3. Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, New Series, II/14a (1982), Springer-Verlag, Heidelberg. 4. Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, New Series, II/14b (1983), Springer-Verlag, Heidelberg. 5. Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, New Series, II/19c (1992), Springer-Verlag, Heidelberg. 6. Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, New Series, II/24c (2002), Springer-Verlag, Heidelberg. 7. Riddick, J. A., Bunger, W. B., and Sakano, T. K., Organic Solvents, Fourth Edition, John Wiley & Sons, New York, 1986. 8. Kasuya, T., Lafferty, W. J., and Lide, D. R., J. Chem. Phys. 48, 1, 1968. 9. Kirchhoff, W. H., and Lide, D. R., J. Chem. Phys. 51, 467, 1969. 10. Durig, J. R., Li, Y. S., and Rizzolo, J. J., J. Chem. Phys. 77, 5885, 1982. 11. Ogata, T., Mochizuki, A. and Yamashita, E., J. Chem. Phys. 87, 2531, 1987. 12. Rego, A., and Cox, A. P., J. Chem. Phys. 89, 124, 1988. 13. Tyblewski, M., et al., J. Chem. Phys. 97, 6168, 1992. 14. Kawashima, Y., et al., J. Chem. Phys. 99, 820, 1993. 15. Caminati, W., Melandri, S., and Favero, L., J. Chem. Phys. 100, 8569, 1994. 16. Cederberg, J., et al., J. Chem. Phys. 105, 3361, 1996.
17. Bauder, A., et al., J. Chem. Phys. 106, 7558, 1997. 18. Muller, H. S. P., Miller, C. E., and Cohen, E. A., J. Chem. Phys. 107, 8292, 1997. 19. Burgh, D. J., Suenram, R. D., and Stevens, W. J., J. Chem. Phys. 111, 3526, 1999. 20. Blake, T. A., et al., J. Chem. Phys. 98, 6031, 1993. 21. Ruoff, R. S., et al., J. Chem. Phys. 89, 138, 1988. 22. Muenter, J. S., J. Chem. Phys. 90, 4048, 1989. 23. Peterson, J. I., Suenram, R. D., and Lovas, F. J., J. Chem. Phys. 90, 5964, 1989. 24. Suenram, R. D., Lovas, F. J., and Matsumura, K., Astrophys. J. Lett. 342, 103, 1989. 25. Groner, P., et al., J. Chem. Phys. 91, 1434, 1989. 26. Suenram, R. D., Lovas, F. J., Fraser, G. T., and Matsumura, K., J. Chem. Phys. 92, 4724, 1990. 27. Andrews, A. M., et al., J. Chem. Phys. 93, 7030, 1990. 28. Peterson, K. I., Suenram, R. D., and Lovas, F. J., J. Chem. Phys. 94, 106, 1991. 29. Iida, M., Ohshima, Y., and Endo, Y., J. Chem. Phys. 95, 4772, 1991. 30. Andrews, A. M., Hillig, K. W., and Kuczkowski, R. L., J. Chem. Phys. 96, 1784, 1992. 31. Ruoff, R. S., et al., J. Chem. Phys. 96, 3441, 1992. 32. Germann, T. C., Tschopp, S. L., and Gutowsky, H. S., J. Chem. Phys. 97, 1619, 1992. 33. Taleb-Bendiab, A., Hillig, K. W., and Kuczkowski, R. L., J. Chem. Phys. 97, 2996, 1992. 34. Taleb-Bendiab, A., Hillig, K. W., and Kuczkowski, R. L., J. Chem. Phys. 98, 3627, 1993. 35. Xu, L-W., and Kuczkowski, R. L., J. Chem. Phys. 100, 15, 1994. 36. Peterson, K. I., Suenram, R. D., and Lovas, F. J., J. Chem. Phys. 102, 7807, 1995. 37. Tatamitani, Y., and Ogata, T., J. Chem. Phys. 121, 9885, 2004. 38. Medvedev, I., et al., Astrophys. J. Suppl. 148, 593, 2003. 39. Lesarri, A., Suenram, R. D., and Brugh, D., J. Chem. Phys. 117, 9651, 2002. 40. Arunan, E., et al., J. Chem. Phys. 117, 9766, 2002. 41. Smith, T. C., Clouthier, D. J., and Steimle, T. C., J. Chem. Phys. 115, 817, 2001. 42. Peebles, S. A., Sun, L., and Kuczkowski, R. L., J. Chem. Phys. 110, 6804, 1999. 43. Namiki, K. C., Robinson, J. S., and Steimle, T. C., J. Chem. Phys. 109, 5283, 1998. 44. Peebles, S. A., and Kuczkowski, R. L., J. Chem. Phys. 109, 5276, 1998. 45. Sauer, B. E., Wang, J., and Hinds, E. A., J. Chem. Phys. 105, 7412, 1996. 46. Fry, J. L., Drouin, B. J., and Miller, C. E., J. Chem. Phys. 124, 084304, 2006. 47. Christiansen, J. J., J. Mol. Spectrosc. 231, 131, 2005. 48. Kisiel, Z., et al., Chem. Phys. Lett. 325, 523, 2000. 49. Lovas, F. J., et al., Astrophys. J. Lett. 455, 201, 1995. 50. Suenram, R. D., and Lovas, F. J., Astrophys. J. Lett. 429, 89, 1994. 51. Biermann, S., et al., J. Chem. Phys. 105, 9754, 1996. 52. McGlone, S., and Bauder, A., J. Chem. Phys. 109, 5383, 1998. 53. Peebles, S. A., and Kuczkowski, R. L., J. Chem. Phys. 111, 10511, 1999. 54. Plusquellic, D. F., et al., J. Chem. Phys. 115, 3057, 2001. 55. Muller, H. S. P., and Cohen, E. A., J. Chem. Phys. 116, 2407, 2002. 56. Andrews, A. M., and Kuczkowski, R. L., J. Chem. Phys. 98, 791, 1993. 57. Lovas, F. J., et al., J. Chem. Phys. 92, 891, 1990. 58. Klots, T. D., Emilsson, T., and Gutowsky, H. S., J. Chem. Phys. 97, 5335, 1992. 59. Careless, A. J., Kroto, H. W., and Landsberg, B. M., Chem. Phys. 1, 371, 1973. 60. Costain, C. C., and Kroto, H. W., Can. J. Phys. 50, 1453, 1972. 61. Kroto, H. W., Nixon, J. F., and Ohno, K., J. Mol. Spectrosc. 90, 367, 1981. 62. Kroto, H. W., Nixon, J. F., and Simmons, N. P. C., J. Mol. Spectrosc. 82, 185, 1980. 63. Kroto, H. W., Nixon, J. F., and Ohno, K., J. Mol. Spectrosc. 77, 270, 1979.
9-47
Dipole Moments
9-48 Name
Mol. Form.
Compounds not containing carbon Aluminum monofluoride AlF Ammonia H 3N Arsenic(III) chloride AsCl3 Arsenic(III) fluoride AsF3 Arsine AsH3 Barium oxide BaO Barium sulfide BaS Bromine chloride BrCl Bromine dioxide BrO2 Bromine fluoride BrF Bromine monoxide BrO Bromine pentafluoride BrF5 Bromosilane BrH3Si Bromotrifluorosilane BrF3Si Calcium monochloride CaCl Cesium chloride ClCs Cesium fluoride CsF Cesium sodium CsNa Chlorine fluoride ClF Chlorine oxide (ClO) ClO Chlorine trifluoride ClF3 Chloroborane BClH2 Chlorogermane ClGeH3 Chlorosilane ClH3Si Chlorosyl fluoride ClFO Chlorotrifluorosilane ClF3Si Chromium monoxide CrO Copper(I) fluoride CuF Copper(II) oxide CuO Dichlorosilane Cl2H2Si Difluoramine F2HN Difluorine dioxide F2O2 Difluoroborane BF2H cis-Difluorodiazine F2N2 Difluorosilane F2H2Si Difluorosilylene F2Si Disiloxane H6OSi2 Fluoramine FH2N Fluorine azide FN3 Fluorine monoxide F2O Fluorine oxide FO Fluoroborane BF Fluorogermane FGeH3 Fluorosilane FH3Si Gallium monofluoride FGa Germanium(II) fluoride F2Ge Germanium(II) oxide GeO Germanium(II) selenide GeSe Germanium(II) sulfide GeS Germanium(II) telluride GeTe Germylazide GeH3N3 Hafnium monoxide HfO Hafnium(IV) oxide HfO2 Hexaborane(10) B6H10
μ/D 1.53 ± 0.15 1.4718 ± 0.0002 1.59 ± 0.08 2.59 ± 0.05 0.217 ± 0.003 7.954 ± 0.003 10.86 ± 0.02 0.519 ± 0.004 2.8 ± 0.3 1.422 ± 0.016 1.76 ± 0.04 1.51 ± 0.15 1.319 0.83 ± 0.01 ≈3.6 10.387 ± 0.004 7.884 ± 0.001 4.75 ± 0.20 0.888061 1.297 ± 0.001 0.6 ± 0.1 0.75 ± 0.05 2.13 ± 0.02 1.31 ± 0.01 1.93 ± 0.02 0.636 ± 0.004 3.88 ± 0.13 5.77 ± 0.29 4.5 ± 0.5 1.17 ± 0.02 1.92 ± 0.02 1.44 ± 0.07 0.971 ± 0.010 0.16 ± 0.01 1.55 ± 0.02 1.23 ± 0.02 0.24 ± 0.02 2.27 ± 0.18 ≈1.3 0.308180 0.0043 ± 0.0004 ≈0.5 2.33 ± 0.12 1.2969 ± 0.0006 2.45 ± 0.05 2.61 ± 0.02 3.2823 ± 0.0001 1.65 ± 0.05 2.00 ± 0.06 1.06 ± 0.07 2.58 ± 0.02 3.431 ± 0.005 7.92 ± 0.01 2.50 ± 0.05
Ref. 1 5 1 1 5 5 3 3 18 3 2 1 3 5 4 2 2 2 5 5 1 14 1 1 55 5 5 2 5 1 1 1 8 1 1 2 1 5 5 5 5 2 2 5 2 2 2 2 2 2 25 26 39 3
Hydrazine
Name
Hydrazoic acid Hydrogen bromide Hydrogen chloride Hydrogen fluoride Hydrogen iodide Hydrogen peroxide Hydrogen sulfide Hydroxyl Hydroxylamine Hypochlorous acid Hypofluorous acid Imidogen Indium(I) chloride Indium(I) fluoride Iodine bromide Iodine chloride Iodine fluoride Iodine monoxide Iodine pentafluoride Lanthanum monoxide Lead(II) oxide Lead(II) sulfide Lithium bromide Lithium chloride Lithium fluoride Lithium fluoride–sodium fluoride complex Lithium hydride Lithium hydroxide Lithium iodide Lithium monoxide Lithium potassium Lithium rubidium Lithium sodium Magnesium oxide Mercapto Nitric acid Nitric oxide Nitrogen dioxide Nitrogen sulfide Nitrogen trichloride Nitrogen trifluoride Nitrogen trioxide Nitrosyl bromide Nitrosyl fluoride Nitrosyl hydride Nitrous acid (cis) Nitrous acid (trans) Nitrous oxide Nitryl chloride Nitryl fluoride Ozone Pentaborane(9) Perchloryl fluoride Peroxynitrous acid
Mol. Form. H4N2 HN3 BrH ClH FH HI H2O2 H2S HO H3NO ClHO FHO HN ClIn FIn BrI ClI FI IO F5I LaO OPb PbS BrLi ClLi FLi FLi•FNa
1.75 ± 0.09 1.70 ± 0.09 0.8272 ± 0.0003 1.1086 ± 0.0003 1.826178 0.448 ± 0.001 1.573 ± 0.001 0.97833 1.655 ± 0.001 0.59 ± 0.05 ≈1.3 2.23 ± 0.11 1.39 ± 0.07 3.79 ± 0.19 3.40 ± 0.07 0.726 ± 0.003 1.24 ± 0.02 1.948 ± 0.020 2.45 ± 0.05 2.18 ± 0.11 3.207 ± 0.011 4.64 ± 0.50 3.59 ± 0.18 7.268 ± 0.001 7.12887 6.3274 ± 0.0002 2.62 ± 0.02
μ/D
HLi HLiO ILi LiO KLi LiRb LiNa MgO HS HNO3 NO NO2 NS Cl3N F3N N2O3 BrNO FNO HNO HNO2 HNO2 N2O ClNO2 FNO2 O3 B5H9 ClFO3 HNO3
5.884 ± 0.001 4.754 ± 0.002 7.428 ± 0.001 6.84 ± 0.03 3.45 ± 0.20 4.0 ± 0.1 0.463 ± 0.002 6.2 ± 0.6 0.7580 ± 0.0001 2.17 ± 0.02 0.15872 0.316 ± 0.010 1.81 ± 0.02 0.39 ± 0.01 0.235 ± 0.004 2.122 ± 0.010 ≈1.8 1.730 ± 0.003 1.62 ± 0.03 1.423 ± 0.005 1.855 ± 0.016 0.16083 0.53 0.466 ± 0.005 0.53373 2.13 ± 0.04 0.023 ± 0.001 1.07 ± 0.002
Ref.
1 3 3 3 2 2 3 5 5 2 2 3 3 2 2 5 2 3 2 1 26 2 2 2 2 3 51 2 3 2 2 2 2 2 5 3 1 2 1 2 3 1 2 1 3 3 2 2 3 1 2 3 1 3 46
Dipole Moments Name Phosphine Phosphorothioc trifluoride Phosphorus(III) chloride Phosphorus(III) fluoride Phosphorus monoxide Phosphorus nitride Phosphoryl chloride Phosphoryl fluoride Potassium bromide Potassium chloride Potassium fluoride Potassium hydroxide Potassium iodide Potassium sodium Rubidium bromide Rubidium chloride Rubidium fluoride Rubidium iodide Rubidium sodium Selenium dioxide Selenium tetrafluoride Silicon monosulfide Silicon monoxide Silver(I) bromide Silver(I) chloride Silver(I) fluoride Silver(I) iodide Sodium bromide Sodium chloride Sodium fluoride Sodium iodide Stibine Strontium oxide Sulfur dichloride Sulfur difluoride Sulfur dioxide Sulfur monofluoride Sulfur monoxide Sulfur oxide (SSO) Sulfur tetrafluoride Sulfuryl chloride Sulfuryl fluoride Tetraborane(10) Tetrafluorohydrazine (gauche) Tetrafluorosilane–ammonia complex Thallium(I) bromide Thallium(I) chloride Thallium(I) fluoride Thallium(I) iodide Thionitrosyl chloride (NSCl) Thionitrosyl fluoride (NSF) Thionyl chloride Thionyl fluoride Tin(II) oxide
9-49 Mol. Form. H 3P F3PS Cl3P F3P OP NP Cl3OP F3OP BrK ClK FK HKO IK KNa BrRb ClRb FRb IRb NaRb O2Se F4Se SSi OSi AgBr AgCl AgF AgI BrNa ClNa FNa INa H3Sb OSr Cl2S F2S O2S FS OS OS2 F4S Cl2O2S F2O2S B4H10 F4N2
μ/D Ref. 0.5740 ± 0.0003 3 0.64 ± 0.02 1 0.56 ± 0.02 2 1.03 ± 0.01 1 1.88 ± 0.07 5 2.7470 ± 0.0001 2 2.54 ± 0.05 2 1.8685 ± 0.0001 3 10.628 ± 0.001 2 10.269 ± 0.001 2 8.585 ± 0.003 2 7.415 ± 0.002 16 ≈10.8 2 2.693 ± 0.014 3 ≈10.9 2 10.510 ± 0.005 2 8.5465 ± 0.0005 2 ≈11.5 2 3.1 ± 0.3 2 2.62 ± 0.05 2 1.78 ± 0.09 2 1.73 ± 0.09 2 3.0982 2 5.62 ± 0.03 5 6.08 ± 0.06 5 6.22 ± 0.30 2 4.55 ± 0.05 5 9.1183 ± 0.0006 2 9.00117 2 8.156 ± 0.001 2 9.236 ± 0.003 2 0.12 ± 0.05 1 8.900 ± 0.003 2 0.36 ± 0.01 3 1.05 ± 0.05 2 1.63305 3 0.794 ± 0.02 3 1.55 ± 0.02 1 1.47 ± 0.03 1 0.632 ± 0.003 1 1.81 ± 0.04 1 1.12 ± 0.02 1 0.486 ± 0.002 3 0.257 ± 0.002 5
F4Si•H3N
5.61 ± 0.02
BrTl ClTl FTl ITl ClNS FNS Cl2OS F2OS OSn
4.49 ± 0.05 4.54299 4.2282 ± 0.0008 4.61 ± 0.07 1.87 ± 0.02 1.902 ± 0.012 1.45 ± 0.03 1.63 ± 0.01 4.32 ± 0.22
31 2 2 2 2 2 2 1 1 2
Name Tin(II) sulfide Titanium(II) oxide Trichlorofluorosilane Trichlorosilane Trifluoramine oxide 1,1,1-Trifluorodisilane Trifluoroiodosilane Trifluorosilane Water Water dimer–hydrogen bromide complex Water dimer–hydrogen chloride complex Ytterbium monofluoride Yttrium monoxide Zirconium(II) oxide Zirconium(IV) oxide
Mol. Form. SSn OTi Cl3FSi
μ/D 3.18 ± 0.16 2.96 ± 0.05
Cl3HSi F3NO F3H3Si2 F3ISi F3HSi H2O H4O2•BrH
0.49 ± 0.01 0.86 ± 0.01 0.0390 ± 0.0004 2.03 ± 0.10 1.11 ± 0.03 1.27 ± 0.03 1.8546 ± 0.0040 2.281 ± 0.003
2 2 9 3 5 1 3 48
H4O2•ClH
2.328 ± 0.003
48
FYb OY OZr O2Zr
3.91 ± 0.04 4.524 ± 0.007 2.55 ± 0.01 7.80 ± 0.02
45 26 26 19
≈0.85 2.750 ± 0.006 3.68 ± 0.03 1.70 ± 0.03 ≈2.8 2.88 ± 0.03 3.92519 3.02 ± 0.06 2.72 ± 0.14 0.161 ± 0.001
1 3 5 2 1 1 5 1 1 22
0.311 ± 0.001
32
1.23 ± 0.02
53
3.29 ± 0.03
32
2.96 ± 0.03 2.552 ± 0.003 3.117 ± 0.004 3.92 ± 0.07 1.55 ± 0.08 1.60 ± 0.08 ≈1.2 1.13 ± 0.02 1.38 ± 0.07 0.80 ± 0.02 [3.0] [3.5] 1.14 ± 0.02
1 5 5 5 3 1 1 3 1 1 7 7 40
0.136 ± 0.002 2.061 ± 0.002
58 33
Compounds containing carbon Acenaphthene C12H10 Acetaldehyde C2H4O Acetamide C2H5NO Acetic acid C2H4O2 Acetic anhydride C4H6O3 Acetone C3H6O Acetonitrile C2H3N Acetophenone C8H8O Acetyl chloride C2H3ClO Acetylene–carbon dioxide C2H2•CO2 complex Acetylene–carbon monoxide C2H2•CO complex Acetylene–carbon oxysulfide C2H2•C3O3S3 trimer complex Acetylene–hydrogen cyanide C2H2•CHN complex Acetyl fluoride C2H3FO Acrolein (cis) C3H4O Acrolein (trans) C3H4O Acrylonitrile C3H3N Allyl alcohol (gauche) C3H6O Allyl alcohol (average) C3H6O Allylamine C3H7N Aniline C6H7N Anisole C7H8O Azulene C10H8 Benzaldehyde C7H6O Benzeneacetonitrile C8H7N Benzene–hydrogen sulfide C6H6•H2S complex Benzene–krypton complex C6H6•Kr Benzene–sulfur dioxide C6H6•O2S complex Benzenethiol C6H6S Benzonitrile C7H5N Benzyl acetate C9H10O2 Benzyl alcohol C7H8O Benzyl benzoate C14H12O2
[1.23] 4.18 ± 0.08 [1.22] 1.71 ± 0.09 [2.06]
Ref. 2 5
7 1 7 1 7
Dipole Moments
9-50 Name Bis(2-aminoethyl)amine Bis(2-chloroethyl) ether Bis(2-ethylhexyl) phthalate Borane carbonyl Bromoacetylene Bromobenzene 1-Bromobutane 2-Bromobutane 1-Bromo-2-chloroethane Bromochlorofluoromethane Bromochloromethane 1-Bromodecane Bromoethane Bromoethene Bromofluoroacetylene 1-Bromoheptane Bromomethane 2-Bromo-2-methylpropane 1-Bromonaphthalene 1-Bromopentane 1-Bromopropane 2-Bromopropane 2-Bromopropene 3-Bromopropene Bromotrifluoromethane 1,2-Butadiene Butanal 1,4-Butanediol Butanenitrile (gauche) Butanenitrile (anti) 1-Butanethiol Butanoic acid 1-Butanol 2-Butanone trans-2-Butenal 1-Butene (cis) 1-Butene (skew) cis-2-Butene cis-2-Butene-1,4-diol trans-2-Butene-1,4-diol trans-2-Butenoic acid cis-2-Buten-1-ol trans-2-Buten-1-ol 1-Buten-3-yne 2-Butoxyethanol Butyl acetate sec-Butyl acetate Butylamine sec-Butylamine tert-Butylamine tert-Butylbenzene Butyl ethyl ether Butyl formate Butyl stearate Butyl vinyl ether
Mol. Form. C4H13N3 C4H8Cl2O C24H38O4 CH3BO C2HBr C6H5Br C4H9Br C4H9Br C2H4BrCl CHBrClF CH2BrCl C10H21Br C2H5Br C2H3Br C2BrF C7H15Br CH3Br C4H9Br C10H7Br C5H11Br C3H7Br C3H7Br C3H5Br C3H5Br CBrF3 C4H6 C4H8O C4H10O2 C4H7N C4H7N C4H10S C4H8O2 C4H10O C4H8O C4H6O C4H8 C4H8 C4H8 C4H8O2 C4H8O2 C4H6O2 C4H8O C4H8O C4H4 C6H14O2 C6H12O2 C6H12O2 C4H11N C4H11N C4H11N C10H14 C6H14O C5H10O2 C22H44O2 C6H12O
μ/D Ref. [1.89] 7 [2.58] 7 [2.84] 7 1.698 ± 0.020 3 0.22962 5 1.70 ± 0.03 1 2.08 ± 0.10 1 2.23 ± 0.11 1 [1.2] 7 1.5 ± 0.3 17 [1.66] 7 [1.93] 7 2.04 ± 0.02 5 1.42 ± 0.03 1 0.448 ± 0.002 5 2.16 ± 0.11 1 1.8203 ± 0.0004 5 [2.17] 7 [1.55] 7 2.20 ± 0.11 1 2.18 ± 0.11 1 2.21 ± 0.11 1 [1.51] 7 ≈1.9 1 0.65 ± 0.05 1 0.403 ± 0.002 1 2.72 ± 0.05 1 [2.58] 7 3.91 ± 0.04 5 3.73 ± 0.06 5 [1.53] 7 [1.65] 7 1.66 ± 0.03 1 2.779 ± 0.015 2 3.67 ± 0.07 1 0.438 ± 0.007 2 0.359 ± 0.011 2 0.253 ± 0.005 2 [2.48] 7 [2.45] 7 [2.13] 7 1.96 ± 0.03 5 1.90 ± 0.02 5 0.22 ± 0.02 3 [2.08] 7 [1.87] 7 [1.87] 7 ≈1.0 1 [1.28] 7 [1.29] 7 ≈0.83 1 [1.24] 7 [2.03] 7 [1.88] 7 [1.25] 7
Name 1-Butyne γ-Butyrolactone Calcium methoxide Camphor, (+) Caprolactam Carboimidic difluoride Carbon dioxide dimer–water complex Carbon dioxide–mercury complex Carbon dioxide–water dimer complex Carbon disulfide–sulfur dioxide complex Carbon monoselenide Carbon monosulfide Carbon monoxide Carbon monoxide dimer– water complex Carbon oxyselenide Carbon oxysulfide Carbon oxysulfide–carbon dioxide dimer complex Carbon oxysulfide–water complex Carbonyl chloride Carbonyl fluoride Chloroacetyl chloride Chloroacetylene 2-Chloroaniline Chlorobenzene 1-Chlorobutane 2-Chlorobutane Chlorocyclohexane (axial) Chlorocyclohexane (equitorial) 1-Chloro-1,1-difluoroethane Chlorodifluoromethane Chloroethane 2-Chloroethanol Chloroethene 1-Chloro-1-fluoroethane Chlorofluoromethane Chloromethane (Chloromethyl)benzene 1-Chloro-3-methylbutane 1-Chloro-2-methylpropane 2-Chloro-2-methylpropane 1-Chloronaphthalene 1-Chloro-2-nitrobenzene 1-Chloro-3-nitrobenzene 1-Chloro-4-nitrobenzene 1-Chlorooctane Chloropentafluoroethane 1-Chloropentane 4-Chlorophenol 1-Chloropropane (gauche) 1-Chloropropane (trans)
Mol. Form. C4H6 C4H6O2 CH3CaO C10H16O C6H11NO CHF2N C2O4•H2O
μ/D 0.782 ± 0.004 4.27 ± 0.03 1.58 ± 0.08 [3.1] [3.9] 1.393 ± 0.001 1.989 ± 0.002
Ref. 5 3 43 7 7 5 23
CO2•Hg
0.107 ± 0.003
29
CO2•H4O2
1.746 ± 0.010
28
CO2•O2S
1.096 ± 0.001
42
CSe CS CO C2O2•H2O
1.99 ± 0.04 1.958 ± 0.005 0.10980 1.57 ± 0.05
3 2 3 36
COSe COS COS•C2O4
0.73 ± 0.02 0.715189 0.69 ± 0.05
1 5 44
COS•H2O
2.668 ± 0.003
37
CCl2O CF2O C2H2Cl2O C2HCl C6H6ClN C6H5Cl C4H9Cl C4H9Cl C6H11Cl C6H11Cl
1.17 ± 0.01 0.95 ± 0.01 2.23 ± 0.11 0.44408 [1.77] 1.69 ± 0.03 2.05 ± 0.04 2.04 ± 0.10 1.91 ± 0.02 2.44 ± 0.07
1 1 1 5 7 1 1 1 5 5
C2H3ClF2 CHClF2 C2H5Cl C2H5ClO C2H3Cl C2H4ClF CH2ClF CH3Cl C7H7Cl C5H11Cl C4H9Cl C4H9Cl C10H7Cl C6H4ClNO2 C6H4ClNO2 C6H4ClNO2 C8H17Cl C2ClF5 C5H11Cl C6H5ClO C3H7Cl C3H7Cl
2.14 ± 0.04 1.42 ± 0.03 2.05 ± 0.02 1.78 ± 0.09 1.45 ± 0.03 2.068 ± 0.014 1.82 ± 0.04 1.8963 ± 0.0002 [1.82] [1.92] 2.00 ± 0.10 2.13 ± 0.04 [1.57] 4.64 ± 0.09 3.73 ± 0.07 2.83 ± 0.06 [2.00] 0.52 ± 0.05 2.16 ± 0.11 2.11 ± 0.11 2.02 ± 0.03 1.95 ± 0.02
1 1 1 1 1 3 1 5 7 7 1 1 7 1 1 1 7 1 1 1 5 5
Dipole Moments Name 1-Chloropropane (average) 2-Chloropropane cis-1-Chloropropene trans-1-Chloropropene 2-Chloropropene 3-Chloropropene 4-Chloropyridine 2-Chlorotoluene 3-Chlorotoluene 4-Chlorotoluene Chlorotrifluoroethene Chlorotrifluoromethane o-Cresol m-Cresol p-Cresol Cyanamide Cyanoacetylene Cyanoformamide Cyanogen azide (NCN3) Cyanogen chloride Cyanogen fluoride Cyanogen iodide Cyanomethylmercury Cyclobutanecarbonitrile Cyclobutanone Cyclobutene 1,3-Cycloheptadiene 2,4,6-Cycloheptatrien-1-one 3,5-Cyclohexadiene-1,2dione Cyclohexanone Cyclohexene (half-chair) Cyclohexylamine 1,3-Cyclopentadiene 2,4-Cyclopentadien-1-one Cyclopentanone Cyclopentene 3-Cyclopenten-1-one Cyclopropane-sulfur dioxide complex Cyclopropanone Cyclopropene Cyclopropylamine Cyclopropyl methyl ketone Diacetone alcohol Diazomethane Dibromodifluoromethane 1,2-Dibromoethane Dibromomethane 1,2-Dibromopropane Dibutylamine Dibutyl ether Dibutyl phthalate Dibutyl sebacate Dibutyl sulfide o-Dichlorobenzene
9-51 Mol. Form. C3H7Cl C3H7Cl C3H5Cl C3H5Cl C3H5Cl C3H5Cl C5H4ClN C7H7Cl C7H7Cl C7H7Cl C2ClF3 CClF3 C7H8O C7H8O C7H8O CH2N2 C3HN C2H2N2O CN4 CClN CFN CIN C2H3HgN C5H7N C4H6O C4H6 C7H10 C7H6O C6H4O2
μ/D Ref. 2.05 ± 0.04 1 2.17 ± 0.11 1 1.67 ± 0.08 1 1.97 ± 0.10 1 1.647 ± 0.010 3 1.94 ± 0.10 1 0.756 ± 0.005 3 1.56 ± 0.08 1 [1.82] 7 2.21 ± 0.04 1 0.40 ± 0.10 1 0.50 ± 0.01 1 [1.45] 7 [1.48] 7 [1.48] 7 4.28 ± 0.10 5 3.73172 5 4.10 ± 0.12 47 2.96 ± 0.07 60 2.8331 ± 0.0002 3 2.120 ± 0.001 3 3.67 ± 0.02 5 4.7 ± 0.1 12 4.04 ± 0.04 5 2.89 ± 0.03 2 0.132 ± 0.001 1 0.740 3 4.1 ± 0.3 3 4.23 ± 0.02 3
C6H10O C6H10 C6H13N C5H6 C5H4O C5H8O C5H8 C5H6O C3H6•O2S
3.246 ± 0.006 0.332 ± 0.012 [1.26] 0.419 ± 0.004 3.132 ± 0.007 ≈3.3 0.20 ± 0.02 2.79 ± 0.03 1.681 ± 0.001
5 2 7 1 3 1 1 3 30
C3H4O C3H4 C3H7N C5H8O C6H12O2 CH2N2 CBr2F2 C2H4Br2 CH2Br2 C3H6Br2 C8H19N C8H18O C16H22O4 C18H34O4 C8H18S C6H4Cl2
2.67 ± 0.13 0.454 ± 0.010 1.19 ± 0.01 2.62 ± 0.25 [3.24] 1.50 ± 0.01 0.66 ± 0.05 [1.19] 1.43 ± 0.03 [1.2] [0.98] 1.17 ± 0.06 [2.82] [2.48] [1.61] 2.50 ± 0.05
2 1 2 2 7 1 1 7 1 7 7 1 7 7 7 1
Name m-Dichlorobenzene 1,4-Dichlorobutane 1,1-Dichloro-2,2difluoroethene Dichlorodifluoromethane 1,1-Dichloroethane 1,2-Dichloroethane 1,1-Dichloroethene cis-1,2-Dichloroethene Dichlorofluoromethane 1,1-Dichloro-2fluoropropene Dichloromethane (Dichloromethyl)benzene Dichloromethylborane 1,2-Dichloropropane 1,3-Dichloropropane 1,2-Dichloro-1,1,2,2tetrafluoroethane 2,4-Dichlorotoluene 3,4-Dichlorotoluene Diethanolamine 1,1-Diethoxyethane Diethylamine Diethyl carbonate Diethylene glycol Diethylene glycol dimethyl ether Diethylene glycol monoethyl ether Diethylene glycol monoethyl ether acetate Diethylene glycol monomethyl ether Diethyl ether Diethyl malonate Diethyl oxalate Diethyl sulfide (trans-trans) Diethyl sulfide (transgauche) Diethyl sulfide (gauchegauche) o-Difluorobenzene m-Difluorobenzene 1,1-Difluorocyclohexane 3,3-Difluorocyclopropene 1,1-Difluoroethane 1,2-Difluoroethane (gauche) 1,1-Difluoroethene cis-1,2-Difluoroethene Difluoromethane Difluoromethylborane Difluoromethylene 1,1-Difluoro-1-propene 2,3-Dihydro-1,4-dioxin 3,6-Dihydro-1,2-dioxin 2,3-Dihydrofuran 2,5-Dihydrofuran
Mol. Form. C6H4Cl2 C4H8Cl2 C2Cl2F2
1.72 ± 0.09 2.22 ± 0.11 0.50
CCl2F2 C2H4Cl2 C2H4Cl2 C2H2Cl2 C2H2Cl2 CHCl2F C3H3Cl2F
0.51 ± 0.05 2.06 ± 0.04 [1.83] 1.34 ± 0.01 1.90 ± 0.04 1.29 ± 0.03 2.43 ± 0.02
1 1 7 1 1 1 3
CH2Cl2 C7H6Cl2 CH3BCl2 C3H6Cl2 C3H6Cl2 C2Cl2F4
1.60 ± 0.03 [2.07] 1.419 ± 0.013 [1.85] 2.08 ± 0.04 ≈0.5
1 7 5 7 1 1
C7H6Cl2 C7H6Cl2 C4H11NO2 C6H14O2 C4H11N C5H10O3 C4H10O3 C6H14O3
[1.70] [2.95] [2.8] [1.38] 0.92 ± 0.05 1.10 ± 0.06 [2.31] [1.97]
7 7 7 7 1 1 7 7
C6H14O3
[1.6]
7
C8H16O4
[1.8]
7
C5H12O3
[1.6]
7
C4H10O C7H12O4 C6H10O4 C4H10S C4H10S
1.098 ± 0.001 [2.54] [2.49] 1.556 ± 0.004 1.591 ± 0.009
38 7 7 54 54
C4H10S
1.645 ± 0.001
54
C6H4F2 C6H4F2 C6H10F2 C3H2F2
2.46 ± 0.05 1.51 ± 0.02 2.556 ± 0.010
2 2 3
2.98 ± 0.02 2.27 ± 0.05 2.67 ± 0.13 1.3893 ± 0.0002 2.42 ± 0.02 1.9785 ± 0.02 1.668 ± 0.003 0.47 ± 0.02 0.889 ± 0.007 0.939 ± 0.008 2.329 ± 0.001 1.32 ± 0.03 1.63 ± 0.01
3 1 2 5 1 3 3 3 2 3 3 2 5
C2H4F2 C2H4F2 C2H2F2 C2H2F2 CH2F2 CH3BF2 CF2 C3H4F2 C4H6O2 C4H6O2 C4H6O C4H6O
μ/D
Ref.
1 1 7
Dipole Moments
9-52 Name Dihydro-3-methyl-2(3H)furanone Dihydro-5-methyl-2(3H)furanone 3,4-Dihydro-2H-pyran 3,6-Dihydro-2H-pyran 2,3-Dihydrothiophene 2,5-Dihydrothiophene Diiodomethane Diisopentyl ether Diisopropylamine Diisopropyl ether Diketene 1,2-Dimethoxybenzene Dimethoxymethane N,N-Dimethylacetamide Dimethylamine N,N-Dimethylaniline 2,4-Dimethylaniline 2,6-Dimethylaniline 3,3-Dimethyl-1-butyne 1,1-Dimethylcyclopropane 3,3-Dimethylcyclopropene Dimethyl disulfide Dimethyl ether N,N-Dimethylformamide 2,6-Dimethyl-4-heptanone Dimethyl maleate 2,4-Dimethyl-3-pentanone 2,2-Dimethylpropanal 2,2-Dimethylpropanenitrile 2,4-Dimethylpyridine 2,6-Dimethylpyridine Dimethyl sulfide Dimethyl sulfoxide 1,3-Dioxane 1,3-Dioxolane Dipentyl ether Diphenyl ether Dipropylamine Dipropyl ether 1,3-Dithiane Divinyl ether Epichlorohydrin 1,2-Epoxybutane 1,2-Ethanediamine 1,2-Ethanediol, diacetate 1,2-Ethanedithiol Ethanethiol (gauche) Ethanethiol (trans) Ethanol (gauche) Ethanol (trans) Ethanol (average) Ethanolamine Ethoxybenzene 2-Ethoxyethanol
Mol. Form. C5H8O2
μ/D 4.56 ± 0.02
Ref. 5
C5H8O2
4.71 ± 0.05
5
C5H8O C5H8O C4H6S C4H6S CH2I2 C10H22O C6H15N C6H14O C4H4O2 C8H10O2 C3H8O2 C4H9NO C2H7N C8H11N C8H11N C8H11N C6H10 C5H10 C5H8 C2H6S2 C2H6O C3H7NO C9H18O C6H8O4 C7H14O C5H10O C5H9N C7H9N C7H9N C2H6S C2H6OS C4H8O2 C3H6O2 C10H22O C12H10O C6H15N C6H14O C4H8S2 C4H6O C3H5ClO C4H8O C2H8N2 C6H10O4 C2H6S2 C2H6S C2H6S C2H6O C2H6O C2H6O C2H7NO C8H10O C4H10O2
1.400 ± 0.008 1.283 ± 0.005 1.61 ± 0.20 1.75 ± 0.01 [1.08] [1.23] [1.15] 1.13 ± 0.10 3.53 ± 0.07 [1.29] [0.74] [3.7] 1.01 ± 0.02 1.68 ± 0.17 [1.40] [1.63] 0.661 ± 0.004 0.142 ± 0.001 0.287 ± 0.003 [1.85] 1.30 ± 0.01 3.82 ± 0.08 [2.66] [2.48] [2.74] 2.66 ± 0.05 3.95 ± 0.04 [2.30] [1.66] 1.554 ± 0.004 3.96 ± 0.04 2.06 ± 0.04 1.19 ± 0.06 [1.20] ≈1.3 [1.03] 1.21 ± 0.06 2.14 ± 0.04 0.78 ± 0.05 [1.8] 1.891 ± 0.011 1.99 ± 0.10 [2.34] 2.03 ± 0.08 1.61 ± 0.08 1.58 ± 0.08 1.68 ± 0.03 1.44 ± 0.03 1.69 ± 0.03 [2.27] 1.45 ± 0.15 [2.08]
5 3 5 3 7 7 7 1 1 7 7 7 2 1 7 7 1 3 3 7 1 1 7 7 7 2 1 7 7 3 1 2 3 7 1 7 1 5 2 7 3 1 7 5 3 3 3 2 1 7 1 7
Name 2-Ethoxyethyl acetate Ethyl acetate Ethyl acrylate Ethylamine (gauche) Ethylamine (trans) Ethylamine (average) Ethylbenzene Ethyl benzoate Ethyl butanoate Ethyl trans-cinnamate Ethyl cyanate Ethyl cyanoacetate Ethylene carbonate Ethylene glycol (average) Ethyleneimine Ethylene–sulfur dioxide complex Ethylene–water complex Ethyl formate (gauche) Ethyl formate (trans) Ethyl formate (average) 2-Ethyl-1-hexanol 2-Ethylhexyl acetate Ethyl lactate Ethyl methyl ether (trans) Ethyl methyl sulfide (gauche) Ethyl methyl sulfide (trans) Ethyl propanoate Ethyl vinyl ether Fluoroacetylene Fluorobenzene Fluorocyclohexane (equitorial) Fluorocyclohexane (axial) 1-Fluorocyclohexene Fluoroethane Fluoroethene Fluoromethane Fluoromethylidyne (Fluoromethylidyne) phosphine (FCP) Fluoromethylsilane 1-Fluoro-4-nitrobenzene 1-Fluoropropane (gauche) 1-Fluoropropane (trans) 2-Fluoropropane cis-1-Fluoropropene trans-1-Fluoropropene 2-Fluoropropene 3-Fluoropropene (gauche) 3-Fluoropropene (cis) 3-Fluoropropyne 3-Fluoropyridine 2-Fluorotoluene 3-Fluorotoluene 4-Fluorotoluene
Mol. Form. C6H12O3 C4H8O2 C5H8O2 C2H7N C2H7N C2H7N C8H10 C9H10O2 C6H12O2 C11H12O2 C3H5NO C5H7NO2 C3H4O3 C2H6O2 C2H5N C2H4•O2S C2H4•H2O C3H6O2
μ/D
[2.25] 1.78 ± 0.09 [1.96] 1.210 ± 0.015 1.304 ± 0.011 1.22 ± 0.10 0.59 ± 0.05 2.00 ± 0.10 [1.74] [1.84] 4.72 ± 0.09 [2.17] [4.9] 2.36 ± 0.10 1.90 ± 0.01 1.650 ± 0.003 1.10 ± 0.01
Ref.
7 1 7 5 5 1 1 1 7 7 5 7 7 5 1 27 56
C3H6O2 C3H6O2 C8H18O C10H20O2 C5H10O3 C3H8O C3H8S C3H8S C5H10O2 C4H8O C2HF C6H5F C6H11F
1.81 ± 0.02 1.98 ± 0.02 1.93 [1.74] [1.8] [2.4] 1.17 ± 0.02 1.593 ± 0.004 1.56 ± 0.03 [1.74] [1.26] 0.7207 ± 0.0003 1.60 ± 0.08 2.11 ± 0.04
2 2 1 7 7 7 3 5 3 7 7 3 1 2
C6H11F C6H9F C2H5F C2H3F CH3F CF CFP
1.81 ± 0.04 1.942 ± 0.010 1.937 ± 0.007 1.468 ± 0.003 1.858 ± 0.002 0.645 ± 0.005 0.279 ± 0.001
2 5 5 5 3 3 62
CH5FSi C6H4FNO2 C3H7F C3H7F C3H7F C3H5F C3H5F C3H5F C3H5F C3H5F C3H3F C5H4FN C7H7F C7H7F C7H7F
1.700 ± 0.008 2.87 ± 0.06 1.90 ± 0.10 2.05 ± 0.04 1.958 ± 0.001 1.46 ± 0.03 ≈1.9 1.61 ± 0.03 1.939 ± 0.015 1.765 ± 0.014 1.73 ± 0.02 2.09 ± 0.26 1.37 ± 0.07 1.82 ± 0.04 2.00 ± 0.10
5 1 1 1 5 1 1 1 1 1 5 3 1 2 1
Dipole Moments Name Formaldehyde Formaldehyde dimer Formamide Formic acid Formyl fluoride Fulminic acid Fulvene Furan Furfural Furfuryl alcohol Glycerol Glycine (Conformer I) Glycine (Conformer II) Glycolaldehyde Glyoxal (cis) 2-Heptanol 3-Heptanol 2-Heptanone 3-Heptanone Hexamethylphosphoric triamide Hexanoic acid 2-Hexanone sec-Hexyl acetate 1-Hexyne Hydrogen cyanide Hydrogen cyanide trimer Hydrogen isocyanide p-Hydroquinone 3-Hydroxypropanenitrile (gauche) Imidazole Iodoacetylene Iodobenzene 1-Iodobutane 2-Iodobutane Iodoethane Iodoethene Iodomethane 1-Iodo-2-methylpropane Iodomethylsilane 1-Iodopropane 2-Iodopropane Isobutanal (gauche) Isobutanal (trans) Isobutane Isobutene Isobutyl acetate Isobutylamine Isobutyl formate Isobutyl isobutanoate Isocyanic acid (HNCO) Isocyanobenzene Isocyanocyclopropane 2-Isocyanopropane Isopentane
9-53 Mol. Form. CH2O C2H4O2 CH3NO CH2O2 CHFO CHNO C6H6 C4H4O C5H4O2 C5H6O2 C3H8O3 C2H5NO2 C2H5NO2 C2H4O2 C2H2O2 C7H16O C7H16O C7H14O C7H14O C6H18N3OP
μ/D 2.332 ± 0.002 0.858 ± 0.005 3.73 ± 0.07 1.425 ± 0.002 2.081 ± 0.001 3.09934 0.4236 ± 0.013 0.66 ± 0.01 [3.54] [1.92] [2.56] 1.147 ± 0.005 5.45 ± 0.05 2.73 ± 0.05 4.8 ± 0.2 [1.71] [1.71] [2.59] [2.78] [5.5]
C6H12O2 C6H12O C8H16O2 C6H10 CHN C3H3N3 CHN C6H6O2 C3H5NO
[1.13] [2.66] [1.9] 0.83 ± 0.05 2.985188 10.6 3.05 ± 0.15 2.38 ± 0.05 3.17 ± 0.02
C3H4N2 C2HI C6H5I C4H9I C4H9I C2H5I C2H3I CH3I C4H9I CH5ISi C3H7I C3H7I C4H8O C4H8O C4H10 C4H8 C6H12O2 C4H11N C5H10O2 C8H16O2 CHNO C7H5N C4H5N C4H7N C5H12
3.8 ± 0.4 0.02525 1.70 ± 0.09 [1.93] 2.12 ± 0.11 1.976 ± 0.002 1.311 ± 0.005 1.6406 ± 0.0004 [1.87] 1.862 ± 0.005 2.04 ± 0.10 [1.95] 2.69 ± 0.01 2.86 ± 0.01 0.132 ± 0.002 0.503 ± 0.010 [1.86] [1.27] [1.88] [1.9] ≈1.6 4.018 ± 0.003 4.03 ± 0.10 4.055 ± 0.001 0.13 ± 0.05
Ref. 3 57 1 5 5 5 2 1 7 7 7 49 49 2 2 7 7 7 7 7 7 7 7 1 5 21 3 15 5 2 5 1 7 1 5 5 5 7 5 1 7 5 5 1 1 7 7 7 7 2 5 3 5 1
Name Isopentyl acetate Isopropylamine Isopropylbenzene Isopropyl methyl ether Isoquinoline Isoxazole Isoxazole–carbon monoxide complex Ketene Mesityl oxide Methacrylic acid Methanethiol Methanol 2-Methoxyethanol (gauche) 2-Methoxyethyl acetate 1-Methoxy-1,2-propadiene N-Methylacetamide Methyl acetate Methyl acrylate 2-Methylacrylonitrile Methylamine 2-Methylaniline 3-Methylaniline 4-Methylaniline Methyl azide Methyl benzoate 2-Methyl-1,3-butadiene 3-Methylbutanoic acid 2-Methyl-1-butanol 2-Methyl-2-butanol 3-Methyl-1-butene (gauche) 3-Methyl-1-butene (trans) 3-Methyl-2-butenenitrile 2-Methyl-1-buten-3-yne Methyl cyanate cis-3-Methylcyclohexanol trans-3-Methylcyclohexanol 3-Methylcyclopentanone 3-Methyl-2-cyclopenten-1one Methylcyclopropane Methyldiborane(6) Methyldifluorophosphine Methylenecyclohexane Methylenecyclopropene Methylenephosphine (CH2 = PH) N-Methylformamide Methyl formate 2-Methylfuran 3-Methylfuran 5-Methyl-2(3H)-furanone Methyl hydroperoxide Methylidyne Methyl isocyanate Methyl isothiocyanate
Mol. Form. C7H14O2 C3H9N C9H12 C4H10O C9H7N C3H3NO C3H3NO•CO
μ/D
[1.86] 1.19 ± 0.06 ≈0.79 1.247 ± 0.003 2.73 ± 0.14 2.95 ± 0.04 2.873 ± 0.004
Ref.
7 3 1 5 1 3 52
C2H2O C6H10O C4H6O2 CH4S CH4O C3H8O2 C5H10O3 C4H6O C3H7NO C3H6O2 C4H6O2
1.42215 [2.79] [1.65] 1.52 ± 0.08 1.70 ± 0.02 2.36 ± 0.05 [2.13] 0.963 ± 0.020 [4.3] 1.72 ± 0.09
3 7 7 1 1 2 7 5 7 1
C4H5N CH5N C7H9N C7H9N C7H9N CH3N3 C8H8O2 C5H8 C5H10O2 C5H12O C5H12O C5H10 C5H10 C5H7N C5H6 C2H3NO C7H14O C7H14O C6H10O C6H8O
[1.77] 3.69 ± 0.18 1.31 ± 0.03 [1.60] [1.45] [1.52] 2.17 ± 0.04 [1.94] 0.25 ± 0.01 [0.63] [1.88] [1.82] 0.398 ± 0.004 0.320 ± 0.010 4.61 ± 0.13 0.513 ± 0.02 4.26 ± 0.18 [1.91] [1.75] 3.14 ± 0.03 4.33 ± 0.002
7 1 1 7 7 7 2 7 1 7 7 7 3 3 10 2 5 7 7 5 5
C4H8 CH8B2 CH3F2P C7H12 C4H4 CH3P
0.139 ± 0.004 0.566 ± 0.006 2.056 ± 0.006 0.62 ± 0.01 1.90 ± 0.01 0.869 ± 0.003
2 3 3 5 5 61
C2H5NO C2H4O2 C5H6O C5H6O C5H6O2 CH4O2 CH C2H3NO C2H3NS
3.83 ± 0.08 1.77 ± 0.04 0.65 ± 0.05 1.03 ± 0.02 4.08 ± 0.02 ≈0.65 ≈1.46 ≈2.8 3.453 ± 0.003
1 1 2 2 5 13 2 1 5
Dipole Moments
9-54 Name 4-Methylisoxazole Methyl methacrylate 2-Methyloxazole 4-Methyloxazole 5-Methyloxazole Methyloxirane 2-Methyl-2,4-pentanediol 4-Methylpentanenitrile Methylphosphonic difluoride N-Methylpropanamide 2-Methylpropanenitrile 2-Methyl-2-propanethiol 2-Methylpropanoic acid 2-Methyl-1-propanol 2-Methyl-2-propanol 2-Methylpropenal 2-Methyl-2-propenol (skew) Methyl propyl ether (transtrans) 2-Methylpyridine 3-Methylpyridine 4-Methylpyridine 2-Methylpyrimidine 5-Methylpyrimidine N-Methylpyrrolidine N-Methyl-2-pyrrolidinone Methyl salicylate Methylsilane Methyl silyl ether 3-Methylthietane 2-Methylthiophene 3-Methylthiophene Methyl vinyl ether Morpholine 2-Nitroanisole Nitrobenzene Nitroethane Nitromethane 1-Nitropropane 2-Nitropropane Nonanoic acid 2,5-Norbornadiene cis-9-Octadecenoic acid Octanoic acid 1-Octanol 2-Octanol 2-Octanone 1,4-Oxathiane Oxazole Oxetane 2-Oxetanone 3-Oxetanone Oxirane Paraldehyde Pentachloroethane cis-1,3-Pentadiene
Mol. Form. C4H5NO C5H8O2 C4H5NO C4H5NO C4H5NO C3H6O C6H14O2 C6H11N CH3F2OP C4H9NO C4H7N C4H10S C4H8O2 C4H10O C4H10O C4H6O C4H8O C4H10O
μ/D 3.583 ± 0.005 [1.67] 1.37 ± 0.07 1.08 ± 0.05 2.16 ± 0.04 2.01 ± 0.02 [2.9] [3.5] 3.69 ± 0.26 3.61 4.29 ± 0.09 1.66 ± 0.03 [1.08] 1.64 ± 0.08 [1.66] 2.68 ± 0.13 1.295 ± 0.022 1.107 ± 0.013
C6H7N C6H7N C6H7N C5H6N2 C5H6N2 C5H11N C5H9NO C8H8O3 CH6Si CH6OSi C4H8S C5H6S C5H6S C3H6O C4H9NO C7H7NO3 C6H5NO2 C2H5NO2 CH3NO2 C3H7NO2 C3H7NO2 C9H18O2 C7H8 C18H34O2 C8H16O2 C8H18O C8H18O C8H16O C4H8OS C3H3NO C3H6O C3H4O2 C3H4O2 C2H4O C6H12O3 C2HCl5 C5H8
1.85 ± 0.04 [2.40] 2.70 ± 0.02 1.676 ± 0.010 2.881 ± 0.006 0.572 ± 0.003 [4.1] [2.47] 0.73456 1.15 ± 0.02 2.046 ± 0.009 0.674 ± 0.005 0.914 ± 0.015 0.965 ± 0.002 1.55 ± 0.03 [5.0] 4.22 ± 0.08 3.23 ± 0.03 3.46 ± 0.02 3.66 ± 0.07 3.73 ± 0.07 [0.79] 0.0587 ± 0.0001 [1.18] [1.15] [1.76] [1.71] [2.70] 0.295 ± 0.003 1.503 ± 0.030 1.94 ± 0.01 4.18 ± 0.03 0.887 ± 0.005 1.89 ± 0.01 1.43 ± 0.07 0.92 ± 0.05 0.500 ± 0.015
Ref. 5 7 5 5 5 1 7 7 3 7 3 3 7 1 7 1 5 3 2 7 2 3 3 5 7 7 5 2 5 2 3 5 3 7 1 2 1 1 1 7 5 7 7 7 7 7 3 3 1 1 2 1 1 1 2
Name trans-1,3-Pentadiene 1,3-Pentadiyne 1,5-Pentanediol 2,4-Pentanedione Pentanenitrile Pentanoic acid 1-Pentanol 2-Pentanol 3-Pentanol 2-Pentanone 3-Pentanone 1,2,3-Pentatriene 1-Pentene 1-Penten-3-yne cis-3-Penten-1-yne trans-3-Penten-1-yne Pentyl acetate Pentyl formate 1-Pentyne (gauche) 1-Pentyne (trans) Perfluoropyridine Phenol Phenylacetylene Phenylsilane 1-Phosphapropyne (CH3CP) Piperidine (equitorial) Piperidine (axial) Piperidine (average) Propanal (gauche) Propanal (cis) Propanal (average) Propane 1,2-Propanediol 1,3-Propanediol Propanenitrile 1-Propanethiol (gauche) 1-Propanethiol (trans) 2-Propanethiol (gauche) 2-Propanethiol (trans) Propanoic acid (cis) Propanoic acid (average) 1-Propanol (gauche) 1-Propanol (trans) 2-Propanol (trans) Propargyl alcohol Propene Propene–sulfur dioxide complex Propyl acetate Propylamine Propylene carbonate Propyleneimine (cis) Propyleneimine (trans) Propyl formate 2-Propynal Propyne
Mol. Form. C5H8 C5H4 C5H12O2 C5H8O2 C5H9N C5H10O2 C5H12O C5H12O C5H12O C5H10O C5H10O C5H6 C5H10 C5H6 C5H6 C5H6 C7H14O2 C6H12O2 C5H8 C5H8 C5F5N C6H6O C8H6 C6H8Si C2H3P C5H11N C5H11N C5H11N C3H6O C3H6O C3H6O C3H8 C3H8O2 C3H8O2 C3H5N C3H8S C3H8S C3H8S C3H8S C3H6O2 C3H6O2 C3H8O C3H8O C3H8O C3H4O C3H6 C3H6•O2S
0.585 ± 0.010 1.207 ± 0.001 [2.5] [2.78] 4.12 ± 0.08 [1.61] [1.7] [1.66] [1.64] [2.70] [2.82] 0.51 ± 0.05 ≈0.5 0.66 ± 0.02 0.78 ± 0.02 1.06 ± 0.05 1.75 ± 0.10 1.90 ± 0.10 0.769 ± 0.028 0.842 ± 0.010 0.98 ± 0.08 1.224 ± 0.008 0.656 ± 0.005 0.845 ± 0.012 1.499 ± 0.001 0.82 ± 0.02 1.19 ± 0.02 [1.19] 2.86 ± 0.01 2.52 ± 0.05 2.72 0.084 ± 0.001 [2.25] [2.55] 4.05 ± 0.03 1.683 ± 0.010 1.60 ± 0.08 1.53 ± 0.03 1.61 ± 0.03 1.46 ± 0.07 1.75 ± 0.09 1.58 ± 0.03 1.55 ± 0.03 1.58 ± 0.03 1.13 ± 0.06 0.366 ± 0.001 1.34 ± 0.003
μ/D
C5H10O2 C3H9N C4H6O3 C3H7N C3H7N C4H8O2 C3H2O C3H4
[1.78] 1.17 ± 0.06 [4.9] 1.77 ± 0.09 1.57 ± 0.03 [1.89] 2.78 ± 0.02 0.784 ± 0.001
Ref.
2 5 7 7 1 7 7 7 7 7 7 11 1 2 2 2 1 1 2 2 3 3 3 3 63 3 3 3 5 1 1 1 7 7 3 3 3 3 3 2 1 2 2 2 2 1 35 7 1 7 2 2 7 5 3
Dipole Moments Name Propyne-argon complex 4H-Pyran-4-one 4H-Pyran-4-thione 1H-Pyrazole Pyridazine Pyridine 2-Pyridinecarbonitrile 3-Pyridinecarbonitrile 4-Pyridinecarbonitrile 3-Pyridinecarboxaldehyde 4-Pyridinecarboxaldehyde 2-Pyridinecarboxaldehyde Pyrimidine Pyrrole Pyrrolidine 2-Pyrrolidone Quinoline Salicylaldehyde Selenoformaldehyde Silicon dicarbide Silicon methylidyne Styrene Succinonitrile Sulfolane 1,1,2,2-Tetrabromoethane 1,1,2,2-Tetrachloroethane 1,2,3,4-Tetrafluorobenzene 1,2,3,5-Tetrafluorobenzene 1,1,1,2-Tetrafluoroethane Tetrahydrofuran Tetrahydrofurfuryl alcohol Tetrahydropyran (chair) Tetrahydro-4H-pyran-4-one 1,2,5,6-Tetrahydropyridine Tetrahydrothiophene Tetramethylurea 1H-Tetrazole Thiacyclohexane 1,2,5-Thiadiazole Thietane Thietane 1,1-dioxide Thiocarbonyl fluoride Thioformaldehyde Thiophene 2-Thiophenecarbonitrile 3-Thiophenecarbonitrile 4H-Thiopyran-4-thione Toluene
9-55 Mol. Form. C3H4•Ar C5H4O2 C5H4OS C3H4N2 C4H4N2 C5H5N C6H4N2 C6H4N2 C6H4N2 C6H5NO C6H5NO C6H5NO C4H4N2 C4H5N C4H9N C4H7NO C9H7N C7H6O2 CH2Se C2Si CHSi C8H8 C4H4N2 C4H8O2S C2H2Br4 C2H2Cl4 C6H2F4 C6H2F4 C2H2F4 C4H8O C5H10O2 C5H10O C5H8O2 C5H9N C4H8S C5H12N2O CH2N4 C5H10S C2H2N2S C3H6S C3H6O2S CF2S CH2S C4H4S C5H3NS C5H3NS C5H4S2 C7H8
μ/D Ref. 0.730 ± 0.005 20 3.79 ± 0.02 5 3.95 ± 0.05 5 2.20 ± 0.01 3 4.22 ± 0.02 2 2.215 ± 0.010 3 5.78 ± 0.11 3 3.66 ± 0.11 3 1.96 ± 0.03 3 1.44 3 1.66 3 3.56 ± 0.07 3 2.334 ± 0.010 2 1.767 ± 0.001 5 [1.57] 7 [3.5] 7 2.29 ± 0.11 1 [2.86] 7 1.41 ± 0.01 5 2.393 ± 0.006 24 0.066 ± 0.002 41 0.123 ± 0.003 5 [3.7] 7 [4.8] 7 [1.38] 7 1.32 ± 0.07 1 2.42 ± 0.05 3 1.46 ± 0.06 3 1.80 ± 0.22 5 1.75 ± 0.04 2 [2.1] 7 1.58 ± 0.03 3 1.720 ± 0.003 3 1.007 ± 0.003 3 [1.90] 7 [3.5] 7 2.19 ± 0.05 3 1.781 ± 0.010 3 1.579 ± 0.007 3 1.85 ± 0.09 1 4.8 ± 0.1 5 0.080 59 1.6491 ± 0.0004 3 0.55 ± 0.01 2 4.59 ± 0.02 3 4.13 ± 0.02 3 3.9 ± 0.2 5 0.375 ± 0.010 3
Name Toluene-sulfur dioxide complex 1H-1,2,4-Triazole Tribromomethane Tributylamine Tributyl borate Tributyl phosphate Tricarbon monosulfide 1,1,1-Trichloroethane 1,1,2-Trichloroethane Trichloroethene Trichloroethylsilane Trichlorofluoromethane Trichloromethane (Trichloromethyl)benzene Trichloromethylsilane Tri-o-cresyl phosphate Tri-m-cresyl phosphate Tri-p-cresyl phosphate
Mol. Form. C7H8•O2S
μ/D 1.87 ± 0.03 2.7 ± 0.1 0.99 ± 0.02 [0.78] [0.77] [3.07] 3.704 ± 0.009 1.755 ± 0.015 [1.4] [0.8] [2.04] 0.46 ± 0.02 1.04 ± 0.02 [2.03] 1.91 ± 0.01 [2.87] [3.05]
Triethanolamine Triethylamine Triethyl phosphate Trifluoroacetic acid Trifluoroacetonitrile 1,2,4-Trifluorobenzene 1,1,1-Trifluoroethane Trifluoroethene Trifluoroiodomethane Trifluoroisocyanomethane Trifluoromethane (Trifluoromethyl)benzene Trifluoromethylsilane (Trifluoromethyl)silane 3,3,3-Trifluoropropene 3,3,3-Trifluoro-1-propyne Trimethylamine Trimethyl phosphate 2,4,6-Trimethylpyridine 1,3,5-Trioxane Vinyl acetate Vinyl formate 2-Vinylfuran Vinylsilane o-Xylene 2,4-Xylenol 2,5-Xylenol 2,6-Xylenol 3,4-Xylenol 3,5-Xylenol
C2H3N3 CHBr3 C12H27N C12H27BO3 C12H27O4P C3S C2H3Cl3 C2H3Cl3 C2HCl3 C2H5Cl3Si CCl3F CHCl3 C7H5Cl3 CH3Cl3Si C21H21O4P C21H21O4P C21H21O4P C6H15NO3 C6H15N C6H15O4P C2HF3O2 C2F3N C6H3F3 C2H3F3 C2HF3 CF3I C2F3N CHF3 C7H5F3 CH3F3Si CH3F3Si C3H3F3 C3HF3 C3H9N C3H9O4P C8H11N C3H6O3 C4H6O2 C3H4O2 C6H6O C2H6Si C8H10 C8H10O C8H10O C8H10O C8H10O C8H10O
[3.18] [3.57] 0.66 ± 0.05 [3.12] 2.28 ± 0.25 1.262 ± 0.010 1.402 ± 0.009 2.347 ± 0.005 1.32 ± 0.03 1.048 ± 0.003 1.153 ± 0.010 1.65150 2.86 ± 0.06 2.3394 ± 0.0002 2.32 ± 0.02 2.45 ± 0.05 2.317 ± 0.013 0.612 ± 0.003 [3.18] [2.05] 2.08 ± 0.02 [1.79] 1.49 ± 0.01 0.69 ± 0.07 0.657 ± 0.002 0.640 ± 0.005 [1.4] [1.45] [1.40] [1.56] [1.55]
Ref. 34 3 1 7 7 7 50 2 7 7 7 2 2 7 2 7 7 7 7 1 7 1 3 5 3 2 3 5 3 1 5 5 1 5 1 7 7 1 7 1 5 5 2 7 7 7 7 7
BOND DISSOCIATION ENERGIES Yu-Ran Luo Bond dissociation energy (enthalpy) is also referred to as bond disruption energy, bond energy, bond strength, or binding energy (abbreviation: BDE, BE, or D). It is defined as the standard enthalpy change of the following fission: R−X → R + X. The BDE, denoted by Do(R−X), is usually derived by the thermochemical equation Do(R−X) = ∆f Ho(R) + ∆f Ho(X) – ∆f Ho(RX). The enthalpy of formation ∆f Ho of a large number of atoms, free radicals, ions, clusters and compounds is available from the Website of NIST, NASA, CODATA, and IUPAC. Most authors prefer to use the BDE values at 298.15 K. The following seven tables provide essential information of experimental BDE values of R−X and R+−X bonds.
(1) Table 1: Bond Dissociation Energies in Diatomic Molecules (2) Table 2: Enthalpy of Formation of Gaseous Atoms (3) Table 3: Bond Dissociation Energies in Polyatomic Molecules (4) Table 4: Enthalpies of Formation of Free Radicals and Other Transient Species (5) Table 5: Bond Dissociation Energies of Some Common Organic Molecules (6) Table 6: Bond Dissociation Energies in Diatomic Cations (7) Table 7: Bond Dissociation Energies in Polyatomic Cations The data in these tables have been revised through September 2006.
TABLE 1. Bond Dissociation Energies in Diatomic Molecules The BDEs in diatomic species have usually been measured by spectroscopy or mass spectrometry. In the absence of data on the enthalpy function, the values at 0 K, Do(A−B), are converted to Do298 by the approximate equation: Do298(A−B) ≈ Do(A−B) + (3/2)RT = Do(A−B) + 3.7181 kJ mol–1 This table has been arranged in alphabetical order of the atoms A in the diatomics A−B and all data are taken from the Comprehensive Handbook of Chemical Bond Energies, by Yu-Ran Luo, CRC Press, 2007, which contains detailed references.
A-B Ac−O Ag−Ag Ag−Al Ag−Au Ag−Bi Ag−Br Ag−Cl Ag−Cu Ag−D Ag−Dy Ag−Eu Ag−F Ag−Ga Ag−Ge Ag−H Ag−Ho Ag−I Ag−In Ag−Li Ag−Mn Ag−Na Ag−Nd Ag−O Ag−S Ag−Se Ag−Si Ag−Sn Ag−Te Al−Al Al−Ar Al−As
9-56
Do298/kJ mol–1 794 162.9 ± 2.9 183.7 ± 9.2 202.5 ± 9.6 192 ± 42 280.3 ± 1.3 279.1 ± 8.4 171.5 ± 9.6 226.8 130 ± 19 127 ± 13 356.9 ± 5.8 159 ± 17 174.5 ± 21 202.4 ± 9.6 124 ± 19 234 ± 29 166.5 ± 4.9 186.1 99.2 ± 21 133.1 ± 12.6 <213 221 ± 21 216.7 ± 14.6 210.0 ± 14.6 185.1 ± 9.6 136 ± 21 195.8 ± 14.6 133 ± 5.8 5.69 202.7 ± 7.1
A-B Al−Au Al−Br Al−C Al−Ca Al−Cl Al−Co Al−Cr Al−Cu Al−D Al−F Al−H Al−I Al−Kr Al−Li Al−N Al−Ne Al−Ni Al−O Al−P Al−Pd Al−S Al−Sb Al−Se Al−Si Al−Te Al−Ti Al−U Al−V Al−Xe Am−O Ar−Ar
Do298/kJ mol–1 325.9 ± 6.3 429.2 ± 5.8 267.7 52.7 502 181.6 ± 0.2 222.9 ± 0.9 227.1 ± 1.2 290.4 675 288 ± 13 369.9 ± 2.1 6.05 76.1 ≤368 ± 15 3.9 224.7 ± 4.8 501.9 ± 10.6 216.7 ± 12.6 254.4 ± 12.1 332 ± 10 216.3 ± 6 318 ± 13 246.9 ± 12.6 268 ± 13 263.4 326 ± 29 147.4 ± 1.0 7.39 553 ± 36 4.91
A-B Ar−B Ar−Br Ar−C Ar−Ca Ar−Cd Ar−Ga Ar−Ge Ar−He Ar−Hg Ar−I Ar−In Ar−Kr Ar−Li Ar−Mg Ar−Na Ar−Ne Ar−Si Ar−Sn Ar−Tl Ar−Xe Ar−Zn As−As As−Cl As−D As−F As−Ga As−H As−I As−In As−N As−O
Do298/kJ mol–1 4.62 ~5.0 5.158 4.44 ± 0.60 5.57 ± 0.05 3.96 <5.4 3.96 5.32 ~5.3 4.18 5.11 ~7.82 ~3.7 ~4.2 4.27 5.86 <5.1 4.09 5.28 5.0 385.8 ± 10.5 448 270.3 410 202.5 ± 4.8 274.0 ± 2.9 296.6 ± 24 201 ± 10 489 ± 2.1 484 ± 8
A-B As−P As−S As−Sb As−Se As−Tl Au−Au Au−B Au−Ba Au−Be Au−Bi Au−Br Au−Ca Au−Ce Au−Cl Au−Co Au−Cr Au−Cs Au−Cu Au−D Au−Dy Au−Eu Au−F Au−Fe Au−Ga Au−Ge Au−H Au−Ho Au−I Au−In Au−La Au−Li
Do298/kJ mol–1 433.5 ± 12.6 379.5 ± 6.3 330.5 ± 5.4 96 198.3 ± 14.6 226.2 ± 0.5 367.8 ± 10.5 254.8 ± 10.0 237.7 ± 4.0 293 ± 8.4 213 ± 21 250.4 ± 4.0 322 ± 18 280 ± 13 218.0 ± 16.4 223.7 ± 28.9 253 ± 3.5 227.1 ± 1.2 322.2 259 ± 24 245 ± 12 294.1 187.0 ± 19.3 290 ± 15 273.2 ± 14.6 328 267 ± 35 276 286.0 ± 5.7 457 ± 28 284.5 ± 6.7
Bond Dissociation Energies A-B Au−Lu Au−Mg Au−Mn Au−Na Au−Nd Au−Ni Au−O Au−Pb Au−Pd Au−Pr Au−Rb Au−Rh Au−S Au−Sc Au−Se Au−Si Au−Sn Au−Sr Au−Tb Au−Te Au−U Au−V Au−Y B−B B−Br B−C B−Cd B−Ce B−Cl B−D B−F B−H B−I B−Ir B−La B−N B−Ne B−O B−P B−Pd B−Pt B−Rh B−Ru B−S B−Sc B−Se B−Si B−Te B−Th B−Ti B−U B−Y Ba−Br Ba−Cl Ba−D Ba−F Ba−H Ba−I Ba−O Ba−Pd Ba−Rh
Do298/kJ mol–1 332 ± 19 179.1 ± 2.7 197.7 ± 21 215.1 ± 12.6 294 ± 29 247 ± 16.4 223 ± 21 133 ± 42 142.7 ± 21 311 ± 25 243 ± 3.5 232.6 ± 29 253.6 ± 14.6 280 ± 40 251.0 ± 14.6 304.6 ± 6.0 256.5 ± 7.2 264 ± 42 285 ± 33 237.2 ± 14.6 318 ± 29 246.0 ± 8.7 310 ± 12 290 390.9 ± 0.5 448 ± 29 301.0 305 ± 21 427 341.0 ± 6.3 732 345.2 ± 2.5 361 512.2 ± 17 335 ± 63 377.9 ± 8.7 3.97 809 347 ± 16.7 351.5 ± 16.7 477.8 ± 16.7 475.8 ± 21 446.9 ± 21 577 ± 9.2 272 ± 63 462 ± 14.6 317 ± 12 354 ± 20 297 ± 33 272 ± 63 322 ± 33 289 ± 63 402 443 ≤193.7 580.6 192.0 322.6 ± 6.3 562 ± 13.4 221.8 ± 5.0 259.4 ± 25
9-57 A-B Ba−S Be−Be Be−Br Be−Cl Be−D Be−F Be−H Be−I Be−O Be−S Be−T Bi−Bi Bi−Br Bi−Cl Bi−D Bi−F Bi−Ga Bi−H Bi−I Bi−In Bi−Li Bi−O Bi−P Bi−Pb Bi−S Bi−Sb Bi−Se Bi−Sn Bi−Te Bi−Tl Bk−O Br−Br Br−C Br−Ca Br−Cd Br−Ce Br−Cl Br−Co Br−Cr Br−Cs Br−Cu Br−D Br−Dy Br−Er Br−Eu Br−F Br−Fe Br−Ga Br−Gd Br−Ge Br−H Br−Hg Br−Ho Br−I Br−In Br−K Br−La Br−Li Br−Lu Br−Mg Br−Mn
Do298/kJ mol–1 418 ± 21 59 316 434 203.1 573 221 261 437 372 ± 59 204.4 204.4 240.2 300.4 ± 4.2 283.7 366.5 ± 12.5 158.6 ± 16.7 ≤283.3 186.1 ± 5.8 153.6 ± 1.7 149.4 337.2 ± 12.6 281.7 ± 13 142.4 ± 3.0 315.5 ± 4.6 252.7 ± 3.9 280.3 ± 5.9 193 ± 13 232.2 ± 11.3 120.9 ± 12.6 598 193.859 ± 0.120 318.0 ± 8.4 339 159 ± 96 373.2 219.32 ± 0.05 326 ± 42 328.0 ± 24.3 389.1 ± 4.2 331 ± 25 370.74 339.3 ± 10.5 361.3 548 280 ± 12 243 ± 84 402 ± 13 372.0 347 ± 8 366.16 ± 0.20 74.9 321.8 179.1 ± 0.4 409 ± 10 379.1 ± 4.2 446.2 418.8 ± 4.2 301.5 317.96 314.2 ± 9.6
A-B Br−Mo Br−N Br−Na Br−Nd Br−Ni Br−O Br−P Br−Pb Br−Pr Br−Rb Br−S Br−Sb Br−Sc Br−Se Br−Si Br−Sm Br−Sn Br−Sr Br−T Br−Tb Br−Th Br−Ti Br−Tl Br−Tm Br−U Br−V Br−W Br−Xe Br−Y Br−Yb Br−Zn Br−Zr C−C C−Ce C−Cl C−D C−F C−Fe C−Ge C−H C−Hf C−I C−Ir C−La C−Mo C−N C−Nb C−Ni C−O C−Os C−P C−Pd C−Pt C−Rh C−Ru C−S C−Sc C−Se C−Si C−Tc C−Th
Do298/kJ mol–1 313.4 280.8 ± 21 363.1 ± 4.2 339.7 360 ± 13 237.6 ± 0.4 ≤329 248.5 ± 14.6 344.5 380.7 ± 4.2 218 ± 17 314 ± 59 444 ± 63 297 ± 84 358.2 ± 8.4 331.4 337 ± 13 365 372.77 382.8 364 373 331 ± 21 299.1 377 ± 15 439 ± 42 329.3 5.94 ± 0.02 481 ± 84 295.4 138 ± 29 420 618.3 ± 15.4 443 ± 30 394.9 ± 13.4 341.4 513.8 ± 10.0 376.3 ± 28.9 455.7 ± 11 338.4 ± 1.2 540 ± 25 253.1 ± 35.6 631 ± 5 463 ± 20 482 ± 16 750.0 ± 2.9 523.8 ± 14.5 337.0 1076.38 ± 0.67 608 ± 25 507.5 ± 8.8 436 ± 20 610 ± 5 580 ± 4 648 ± 13 713.3 ± 1.2 444 ± 21 590.4 ± 5.9 447 564 ± 29 453 ± 17
A-B C−Ti C−U C−V C−Y C−Zr Ca−Ca Ca−Cl Ca−D Ca−F Ca−H Ca−I Ca−Kr Ca−Li Ca−O Ca−Pd Ca−S Ca−Xe Cd−Cd Cd−Cl Cd−F Cd−H Cd−I Cd−In Cd−K Cd−Kr Cd−Na Cd−Ne Cd−O Cd−S Cd−Se Cd−Te Cd−Xe Ce−Ce Ce−Cl Ce−F Ce−I Ce−Ir Ce−N Ce−O Ce−Os Ce−Pd Ce−Pt Ce−Rh Ce−Ru Ce−S Ce−Se Ce−Te Cf−O Cl−Cl Cl−Co Cl−Cr Cl−Cs Cl−Cu Cl−D Cl−Dy Cl−Er Cl−Eu Cl−F Cl−Fe Cl−Ga Cl−Gd
Do298/kJ mol–1 423 ± 30 455 ± 15 423 ± 24 418 ± 14 495.8 ± 38.6 16.52 ± 0.11 409 ± 8.7 ≤169.9 529 223.8 284.7 ± 8.4 5.15 ± 0.72 84.9 ± 8.4 383.3 ± 5.0 347 - 360 335 ± 21 7.31 ± 0.96 ~8.62 208.4 305 ± 21 69.0 ± 0.4 97.2 ± 2.1 134 7.3 5.17 10.2 3.97 236 ± 84 208.5 ± 20.9 127.6 ± 25.1 100.0 ± 15.1 6.54 251.7 457.0 582 ± 42 333.8 575 ± 9 519 ± 21 790 524 ± 20 319 ± 21 550 ± 5 545 ± 7 494 ± 12 569 494.5 ± 14.6 189.4 ± 12.6 498 242.417 ± 1.930 337.6 ± 6.7 377.8 ± 6.7 445.7 ± 7.7 377.8 ± 7.5 436.303 ± 0.011 392.4 448.6 405.5 260.83 329.7 ± 6.7 463 ± 13 451.0
Bond Dissociation Energies
9-58 A-B Cl−Ge Cl−H Cl−Hg Cl−Ho Cl−I Cl−In Cl−K Cl−La Cl−Li Cl−Lu Cl−Mg Cl−Mn Cl−N Cl−Na Cl−Nd Cl−Ni Cl−O Cl−P Cl−Pb Cl−Pr Cl−Ra Cl−Rb Cl−S Cl−Sb Cl−Sc Cl−Se Cl−Si Cl−Sm Cl−Sn Cl−Sr Cl−T Cl−Ta Cl−Tb Cl−Th Cl−Ti Cl−Tl Cl−Tm Cl−U Cl−V Cl−W Cl−Xe Cl−Y Cl−Yb Cl−Zn Cl−Zr Cm−O Co−Co Co−Cu Co−D Co−F Co−Ge Co−H Co−I Co−Mn Co−Nb Co−O Co−S Co−Si Co−Ti Co−Y Co−Zr
Do298/kJ mol–1 390.8 ± 9.6 431.361 ± 0.013 92.0 ± 9.2 409.1 211.3 ± 0.4 436 ± 8 433.0 ± 8.4 521.6 469 ± 13 325.7 ± 2 312 338.5 ± 6.7 333.9 ± 9.6 412.1 ± 8.4 418.7 377.0 ± 6.7 267.47 ± 0.08 ≤376 301 ± 50 423.5 343 ± 75 427.6 ± 8.4 241.8 360 ± 50 331 322 416.7 ± 6.3 418.7 350 ± 8 409 438.64 544 470.1 489 405.4 ± 10.5 372.8 ± 2.1 378.0 439 477 ± 63 419 7.08 523 ± 84 374.5 229 ± 8 530 732 <127 161.1 ± 16.4 270.2 ± 5.8 431 ± 63 230 ± 21 244.9 ± 4.8 280 ± 21 50 ± 8 267.02 ± 0.10 384.5 ± 13.4 331 274.4 ± 17 235.37 ± 0.10 253.71 ± 0.10 306.39 ± 0.10
A-B Cr−Cr Cr−Cu Cr−F Cr−Fe Cr−Ge Cr−H Cr−I Cr−N Cr−Nb Cr−O Cr−Pb Cr−S Cr−Sn Cs−Cs Cs−F Cs−H Cs−Hg Cs−I Cs−Na Cs−O Cs−Rb Cu−Cu Cu−D Cu−Dy Cu−F Cu−Ga Cu−Ge Cu−H Cu−Ho Cu−I Cu−In Cu−Li Cu−Na Cu−Ni Cu−O Cu−S Cu−Se Cu−Si Cu−Sn Cu−Tb Cu−Te D−D D−F D−Ga D−Ge D−H D−Hg D−I D−In D−K D−Li D−Lu D−Mg D−Mn D−N D−Ni D−O D−P D−Pt D−S D−Si
Do298/kJ mol–1 152.0 ± 6 154.4 ± 14.5 523 ± 19 ~75 154 ± 7 189.9 ± 6.7 287.0 ± 24.3 377.8 ± 18.8 295.72 ± 0.06 461 ± 8.7 105 ± 2 331 141 ± 3 43.919 ± 0.010 517.1 ± 7.7 175.364 8 338.5 ± 2.1 63.2 ± 1.3 293 ± 25 49.57 ± 0.01 201 270.3 144 ± 18 414 215.9 ± 15 208.8 ± 21 254.8 ± 6 144 ± 19 289 ± 63 187.4 ± 7.9 191.9 176.1 ± 16.7 201.7 ± 9.6 287.4 ± 11.6 274.5 ± 14.6 255.2 ± 14.6 221.3 ± 6.3 170 ± 10 191 ± 18 230.5 ± 14.6 443.3197 ± 0.0003 576.236 ± 0.011 <276.5 ≤322 439.2223 ± 0.0002 42.05 302.33 246 182.4 240.24 302 161.33 ± 0.32 312 ± 6 341.6 ≤302.9 429.64 299.0 ≤350.2 350.62 ± 1.20 302.5
A-B D−Sr D−T D−Tl D−Zn Dy−Dy Dy−F Dy−I Dy−O Dy−S Dy−Se Dy−Te Er−Er Er−F Er−I Er−O Er−S Er−Se Er−Te Es−O Eu−Eu Eu−F Eu−I Eu−Li Eu−O Eu−Rh Eu−S Eu−Se Eu−Te F−F F−Fe F−Ga F−Gd F−Ge F−H F−Hf F−Hg F−Ho F−I F−In F−K F−Kr F−La F−Li F−Lu F−Mg F−Mn F−Mo F−N F−Na F−Nd F−Ni F−Np F−O F−P F−Pb F−Pr F−Pu F−Rb F−Ru F−S F−Sb
Do298/kJ mol–1 167.7 444.91 193.0 88.7 70.3 531 269.0 ± 8.4 615 414 ± 42 322 ± 20 234 ± 20 75 ± 29 565 ± 17 315.8 606 418 ± 21 326 ± 20 238 ± 20 460 45.2 544 288.3 268.1 ± 12.6 473 238 ± 34 365.7 ± 13.4 302.9 ± 14.6 251.0 ± 14.6 158.670 ± 0.096 447 584 ± 13 590 ± 17 523 ± 13 569.680 ± 0.011 650 ± 15 ~180 540 ≤271.5 516 ± 13 489.2 6.6 659.0 ± 17.2 577 ± 21 405 ± 19 463 445.2 ± 7.5 464 ≤349 477.3 545.2 ± 12.6 428.4 ± 19.3 430 ± 50 220 ≤405 355 ± 13 582 ± 46 538 ± 29 494 ± 21 402 343.5 ± 6.7 439 ± 96
A-B F−Sc F−Se F−Si F−Sm F−Sn F−Sr F−T F−Ta F−Tb F−Th F−Ti F−Tl F−Tm F−U F−V F−W F−Xe F−Y F−Yb F−Zn F−Zr Fe−Fe Fe−Ge Fe−H Fe−I Fe−O Fe−S Fe−Si Fm−O Ga−Ga Ga−H Ga−I Ga−In Ga−Kr Ga−Li Ga−O Ga−P Ga−Sb Ga−Te Ga−Xe Gd−Gd Gd−I Gd−O Gd−S Gd−Se Gd−Te Ge−Ge Ge−H Ge−I Ge−Ni Ge−O Ge−Pd Ge−S Ge−Sc Ge−Se Ge−Si Ge−Sn Ge−Te Ge−Y H−H H−Hg
Do298/kJ mol–1 599.1 ± 13.4 339 ± 42 576.4 ± 17 565 476 ± 8 538 579.009 ± 0.108 573 ± 13 561 ± 42 652 569 ± 33 439 ± 21 510 648 590 ± 63 ≤544 14.18 685.3 ± 13.4 ≥517.6 ± 9.6 364 ± 63 627.2 ± 10.5 118 210.9 ± 29 148 ± 3 123 407.0 ± 1.0 328.9 ± 14.6 297 ± 25 443 <106.4 276 334 ± 13 94.0 ± 3 4.08 133.1 ± 14.6 374 ± 21 229.7 ± 12.6 192.0 ± 12.6 265 ± 21 5.27 206.3 ± 67.5 333.8 715 526.8 ± 10.5 430 ± 15 341 ± 15 264.4 ± 6.8 263.2 ± 4.8 268 ± 25 290.3 ± 10.9 660.3 254.7 ± 10.5 534 ± 3 270 ± 11 484.7 ± 1.7 297 230.1 ± 13 396.7 ± 3.3 279 ± 11 435.7799 ± 0.0001 39.844
Bond Dissociation Energies A-B H−I H−In H−K H−Li H−Mg H−Mn H−Mo H−N H−Na H−Nb H−Ni H−O H−P H−Pb H−Pd H−Pt H−Rb H−Rh H−Ru H−S H−Sb H−Sc H−Se H−Si H−Sn H−Sr H−T H−Te H−Ti H−Tl H−V H−Yb H−Zn He−He He−Hg He−Xe Hf−Hf Hf−N Hf−O Hg−Hg Hg−I Hg−K Hg−Kr Hg−Li Hg−Na Hg−Ne Hg−O Hg−Rb Hg−S Hg−Se Hg−T Hg−Te Hg−Tl Hg−Xe Hg−Zn Ho−Ho Ho−I Ho−O Ho−S Ho−Se Ho−Te
Do298/kJ mol–1 298.26 ± 0.10 243.1 174.576 238.039 ± 0.006 126.4 ± 2.9 251 ± 5 211 ± 19 ≤338.9 185.69 ± 0.29 >221.9 ± 9.6 240 ± 8 429.91 ± 0.29 297.0 ± 2.1 ≤157 234 ± 25 330 172.6 241.0 ± 5.9 223 ± 15 353.57 ± 0.30 239.7 ± 4.2 205 ± 17 312.5 293.3 ± 1.9 264 ± 17 164 ± 8 440.49 270.7 ± 1.7 204.6 ± 8.8 195.4 ± 4 209.3 ± 6.8 183.1 ± 2.0 85.8 ± 2 3.809 3.8 3.8 328 ± 58 535 ± 30 801 ± 13 7.79 ± 0.24 34.69 ± 0.96 8.8 5.75 13.16 ± 0.38 10.8 4.14 269 8.4 217.3 ± 22.2 144.3 ± 30.1 43.14 <142 2.9 6.65 7.3 70.3 275.1 606 428.4 ± 14.6 333 ± 15 ≤259 ± 15
9-59 A-B I−I I−In I−K I−Kr I−La I−Li I−Lu I−Mg I−Mn I−Mo I−N I−Na I−Nd I−Ni I−O I−Pb I−Pr I−Rb I−Si I−Sm I−Sn I−Sr I−Tb I−Te I−Th I−Ti I−Tl I−Tm I−U I−Xe I−Y I−Yb I−Zn I−Zr In−In In−Kr In−Li In−O In−P In−S In−Sb In−Se In−Te In−Xe In−Zn Ir−Ir Ir−La Ir−Nb Ir−O Ir−Si Ir−Th Ir−Ti Ir−Y K−K K−Kr K−Li K−Na K−Zn K−O K−Rb K−Xe
Do298/kJ mol–1 152.25 ± 0.57 306.9 ± 1.1 322.5 ± 2.1 5.67 411.7 345.2 ± 4.2 263.2 229 282.8 ± 9.6 266.9 159 ± 17 304.2 ± 2.1 301.5 293 ± 21 240 ± 5 194 ± 38 306.2 318.8 ± 2.1 243.1 ± 8.4 293.1 235 ± 3 301 336.2 192 ± 42 361 ± 25 306 285 ± 21 260.8 299 ± 27 ~6.9 422.6 ± 12.5 257.3 153.1 ± 6.3 127 82.0 ± 5.7 4.85 92.5 ± 14.6 346 ± 30 197.9 ± 8.4 287.9 ± 14.6 151.9 ± 10.5 245.2 ± 14.6 215.5 ± 14.6 6.48 32.2 361 ± 68 577 ± 12 465 ± 25 414 ± 42 462.8 ± 21 574 ± 42 422 ± 13 457 ± 15 56.96 4.6 82.0 ± 4.2 65.994 ± 0.008 6.5 271.5 ± 12.6 53.723 ± 0.005 5.0
A-B Kr−Kr Kr−Li Kr−Mg Kr−Na Kr−Ne Kr−O Kr−Tl Kr−Xe Kr−Zn La−La La−N La−O La−Pt La−Rh La−S La−Se La−Te La−Y Li−Li Li−Mg Li−Na Li−O Li−Pb Li−S Li−Sb Li−Si Li−Sm Li−Tm Li−Xe Li−Yb Lr−O Lu−Lu Lu−O Lu−Pt Lu−S Lu−Se Lu−Te Md−O Mg−Mg Mg−Ne Mg−O Mg−S Mg−Xe Mn−Mn Mn−O Mn−S Mn−Se Mo−Mo Mo−Nb Mo−O N−N N−O N−P N−Pt N−Pu N−S N−Sb N−Sc N−Si N−Ta N−Th
Do298/kJ mol–1 5.39 ~12.1 6.71 ± 0.96 ~4.53 4.31 <8 4.14 5.66 5.0 244.9 519 ± 42 798 505 ± 12 550 ± 12 573.4 ± 1.7 485.7 ± 14.6 385.6 ± 15 197 ± 21 105.0 67.4 ± 6.3 87.181 ± 0.001 340.5 ± 6.3 78.7 ± 8 312.5 ± 7.5 169.0 ± 10.0 149 193.3 ± 18.8 276.1 ± 14.6 ~12.1 143.5 ± 12.6 665 142 ± 33 669 402 ± 34 508.4 ± 14.4 418 ± 15 325 ± 15 418 11.3 ~4.1 358.2 ± 7.2 234 9.70 ± 1.79 61.6 ± 9.6 362 ± 25 301 ± 17 239.3 ± 9.2 435.5 ± 1.0 452 ± 25 502 944.84 ± 0.10 631.62 ± 0.18 617.1 ± 20.9 374.2 ± 9.6 469 ± 63 467 ± 24 460 ± 84 464 ± 84 437.1 ± 9.9 607 ± 84 577 ± 33
A-B N−Ti N−U N−V N−Xe N−Y N−Zr Na−Na Na−Ne Na−O Na−Rb Na−Xe Nb−Nb Nb−Ni Nb−O Nb−Ti Nb−V Nd−Nd Nd−O Nd−S Nd−Se Nd−Te Ne−Ne Ne−Xe Ne−Zn Ni−Ni Ni−O Ni−Pd Ni−Pt Ni−S Ni−Si Ni−V Ni−Y Ni−Zr No−O Np−O O−O O−Os O−P O−Pa O−Pb O−Pd O−Pr O−Pt O−Pu O−Rb O−Re O−Rh O−Ru O−S O−Sb O−Sc O−Se O−Si O−Sm O−Sn O−Sr O−Ta O−Tb O−Tc O−Te O−Th
Do298/kJ mol–1 476 ± 33 531 ± 21 523 ± 38 26.9 477 ± 63 565 ± 25 74.805 ± 0.586 ~3.8 270 ± 4 63.887 ± 0.024 ~5.12 513 271.9 ± 0.1 726.5 ± 10.6 302.0 ± 0.1 369.3 ± 0.1 82.8 703 471.5 ± 14.6 393.9 305 ± 15 4.070 4.31 3.92 204 366 ± 30 140.9 273.7 ± 0.3 356 ± 21 318 ± 17 206.3 ± 0.2 283.92 ± 0.10 279.8 ± 0.1 268 731 498.36 ± 0.17 575 589 792 374 238.1 ± 12.6 740 391 ± 42 656.1 276 ± 12.6 627 ± 84 405 ± 42 528 ± 42 517.90 ± 0.05 434 ± 42 671.4 ± 1.0 429.7 ± 6.3 799.6 ± 13.4 573 528 426.3 ± 6.3 839 694 548 377 ± 21 877
Bond Dissociation Energies
9-60 A-B O−Ti O−Tl O−Tm O−U O−V O−W O−Xe O−Y O−Yb O−Zn O−Zr Os−Os P−P P−Pt P−Rh P−S P−Sb P−Se P−Si P−Te P−Th P−Tl P−U P−W Pb−Pb Pb−S Pb−Sb Pb−Se Pb−Te Pd−Pd Pd−Pt Pd−Si Pd−Y
Do298/kJ mol–1 668 213 ± 84 514 755 637 720 ± 71 36.4 714.1 ± 10.2 387.7 ± 10 ≤250 766.1 ± 10.6 415 ± 77 489.1 ≤416.7 ± 16.7 353.1 ± 16.7 442 ± 10 356.9 ± 4.2 363.7 ± 10.0 363.6 297.9 ± 10.0 372 ± 29 209 ± 13 293 ± 21 305 ± 4 86.6 ± 0.8 398 161.5 ± 10.5 302.9 ± 4.2 249.8 ± 10.5 >136 191.0 261 ± 12 241 ± 15
A-B Po−Po Pr−Pr Pr−S Pr−Se Pr−Te Pt−Pt Pt−Si Pt−Th Pt−Ti Pt−Y Rb−Rb Re−Re Rh−Rh Rh−Sc Rh−Si Rh−Th Rh−Ti Rh−U Rh−V Rh−Y Ru−Ru Ru−Si Ru−Th Ru−V S−S S−Sb S−Sc S−Se S−Si S-Sm S−Sn S−Sr S−Ta
Do298/kJ mol–1 187 129.1 492.5 ± 4.6 446.4 ± 23.0 326 ± 20 306.7 ± 1.9 501 ± 18 551 ± 42 397.5 ± 10.6 474 ± 12 48.898 ± 0.005 432 ± 30 235.85 ± 0.05 444 ± 11 395.0 ± 18.0 513 ± 21 390.8 ± 14.6 519 ± 17 364 ± 29 446 ± 11 193.0 ± 19.3 397.1 ± 21 592 ± 42 414 ± 29 425.30 378.7 478.2 ± 12.6 371.1 ± 6.7 617 ± 5 389 467 338.5 ± 16.7 669.5 ± 13.5
A-B S−Tb S−Te S−Ti S−Tm S−U S−V S−Y S−Yb S−Zn S−Zr Sb−Sb Sb−Te Sb−Tl Sc−Sc Sc−Se Sc−Si Sc−Te Se−Se Se−Si Se−Sm Se−Sn Se−Sr Se−Tb Se−Te Se−Ti Se−Tm Se−V Se−Y Se−Zn Si−Si Si−Te Si−Y Sm−Sm
Do298/kJ mol–1 515 ± 42 335 ± 42 418 ± 3 368 ± 21 528.4 ± 10.5 449.4 ± 14.6 528.4 ± 10.5 167 224.8 ± 12.6 572.0 ± 11.6 301.7 ± 6.3 277.4 ± 3.8 126.7 ± 10.5 163 ± 21 385 ± 17 227.2 ± 14 289 ± 17 330.5 538 ± 13 331.0 ± 14.6 401.2 ± 5.9 251.0 ± 12.6 423 ± 20 293.3 381 ± 42 274 ± 40 347 ± 21 435 ± 13 170.7 ± 25.9 310 429.2 258 ± 17 54 ± 21
A-B Sm−Te Sn−Sn Sn−Te Sr−Sr T−T Ta−Ta Tb−Tb Tb−Te Tc−Tc Te−Te Te−Ti Te−Tm Te−Y Te−Zn Th−Th Ti−Ti Ti−V Ti−Zr Tl−Tl Tl−Xe Tm−Tm U−U V−V V−Zr W−W Xe−Xe Y−Y Yb−Yb Zn−Zn Zr−Zr
Do298/kJ mol–1 272.4 ± 14.6 187.1 ± 0.3 338.1 ± 6.3 16.64 ± 1.12 446.67 390 ± 96 138.8 339 ± 42 330 257.6 ± 4.1 289 ± 17 182 ± 40 339 ± 13 117.6 ± 18.0 ≤289 ± 33 117.6 203.2 ± 0.1 214.3 ± 0.1 59.4 4.18 54 ± 17 222 ± 21 269.3 ± 0.1 260.6 ± 0.3 666 6.023 ~270 ± 39 16.3 22.2 ± 6.3 298.2 ± 0.1
TABLE 2. Enthalpy of Formation of Gaseous Atoms Atom Ac Ag Al Am As Au B Ba Be Bi Bk Br C Ca Cd Ce Cf Cl Cm Co Cr Cs Cu
∆f Ho298/kJ mol–1 Ref. 406 5 284.9 ± 0.8 2 330.9 ± 4.0 2 284 6 302.5 ± 13 1 368.2 ± 2.1 1 565 ± 5 2 179.1 ± 5.0 3 324 ± 5 2 209.6 ± 2.1 1 310 6 111.87 ± 0.12 3 716.68 ± 0.45 2 177.8 ± 0.8 2 111.80 ± 0.20 2 420.1 ± 2.1 4 196 6 121.301 ± 0.008 2 386 6 426.7 3 397.48 ± 4.2 3 76.5 ± 1.0 2 337.4 ± 1.2 2
Atom Dy Er Es Eu F Fe Ga Gd Ge H Hf Hg Ho I In Ir K La Li Lu Mg Mn Mo
∆f Ho298/kJ mol–1 Ref. 290.4 ± 2.1 4 316.4 ± 2.1 4 133 6 177.4 ± 2.1 4 79.38 ± 0.30 2 415.5 ± 1.3 3 271.96 ± 2.1 3 397.5 ± 2.1 4 372 ± 3 2 217.998 ± 0.006 2 618.4 ± 6.3 3 61.38 ± 0.04 2 300.6 ± 2.1 4 106.76 ± 0.04 2 243 ± 4 1 669 ± 4 1 89.0 ± 0.8 2 431.0 ± 2.1 4 159.3 ± 1.0 2 427.6 ± 2.1 4 147.1 ± 0.8 2 283.3 ± 4.2 3 658.98 ± 3.8 3
Atom N Na Nb Nd Ni Np O Os P Pa Pb Pd Pr Pt Pu Ra Rb Re Rh Ru S Sb Sc
∆f Ho298/kJ mol–1 Ref. 472.68 ± 0.40 2 107.5 ± 0.7 3 733.0 ± 8 3 326.9 ± 2.1 4 430.1 ± 8.4 3 464.8 6 249.229 ± 0.002 7 787 ± 6.3 1 316.5 ± 1.0 2 563 5 195.2 ± 0.8 2 376.6 ± 2.1 1 356.9 ± 2.1 4 565.7 ± 1.3 1 345 6 159 5 80.9 ± 0.8 2 774 ± 6.3 1 556 ± 4 1 650.6 ± 6.3 1 277.17 ± 0.15 2 264.4 ± 2.5 1 377.8 ± 4 1
Atom Se Si Sm Sn Sr Ta Tb Tc Te Th Ti Tl Tm U V W Y Yb Zn Zr
∆f Ho298/kJ mol–1 Ref. 227.2 ± 4 1 450.0 ± 8 2 206.7 ± 2.1 4 301.2 ± 1.5 2 164.0 ± 1.7 3 782.0 ± 2.5 1 388.7 ± 2.1 4 678 5 196.6 ± 2.1 1 602 ± 6 2 473 ± 3 2 182.2 ± 0.4 1 232.2 ± 2.1 4 533 ± 8 2 515.5 ± 8 3 851.0 ± 6.3 3 424.7 ± 2.1 4 155.6 ± 2.1 4 130.40 ± 0.40 2 610.0 ± 8.4 3
Bond Dissociation Energies
9-61
REFERENCES
1. Brewer, L. and Rosenblatt, G.M., Adv. High Tem. Chem., 2, 1–83, 1969. 2. Cox, J.D., Wagman, D.D., and Medvedev, V.A., Eds., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corporation, New York, 1989; updated e-version: http://www.codata.org/codata. 3. NIST Chemistry WebBook, http://webbook.nist.gov. NIST-JANAF Thermochemical Table, 4th Edition, Chase, M.W. Jr., Ed., ACS, AIP, New York, 1998.
4. Chandrasekharaiah, M.S. and Gingerich, K.A., Thermodynamic properties of gaseous species, in Handbook on the Chemistry and Physics of Rare Earths; Gschneidner, K.A., Jr, Ering, L., Eds. Elsevier, Amsterdam, 1989, Vol. 12, Chapter 86, p. 409–431. 5. Lias, S.G. et al., Gas-phase ion and neutral thermochemistry, J. Phys. Chem. Ref. Data, 17, Suppl. 1, 1988. 6. Klenschmidt, P.D., et al., High Tem. Sci., 19, 267–274, 1985. 7. Ruscic, B., Pinzon, R.E., et al., J. Phys. Chem. A, 110, 6592–6601, 2006.
TABLE 3. Bond Dissociation Energies in Polyatomic Molecules The D values in polyatomic molecules are notoriously difficult to measure accurately since the mechanism of the kinetic systems involved in many of the measurements are seldom straightforward. Thus, much lively controversy has taken place in the literature and is likely to continue for some time to come. We will keep updating and presenting our assessment of the most reliable BDE data every year. The references relating to each of the Do298 values listed in Table 3 are contained in the Comprehensive Handbook of Chemical Bond Energies, by Yu-Ran Luo, CRC Press, 2007. Many Do298 in Table 3 are derived from the equation o 298
Do298(R–X) = ∆f Ho(R) + ∆f Ho(X) – ∆f Ho(RX) Here, the enthalpies of formation of the atoms and radicals are taken from Tables 2 and 4, respectively, and the enthalpies of formation of the molecules are from reference sources listed in the above Comprehensive Handbook of Chemical Bond Energies. Table 3 presents H-C, C-C, C-halogen, O-, N-, S-, Si-, Ge-, Sn-, Pb-, P-, As-, Sb-, Bi-, Se-, Te-, and metal-X BDEs. The boldface in the species indicates the dissociated fragment. The metal-X BDEs are arranged on the basis of the Periodic Table with the new IUPAC notation for Groups 1 to 18 (see inside front cover of this Handbook). Bond (1) C−H BDEs CH3−H CH3CH2−H CH3CH2CH2−H CH3CH2CH3 CH3CH2CH2CH2−H CH3CH2CH2CH3 (CH3)2CHCH2−H (CH3)3C−H (CH3)3CCH2−H (CH3CH2)CH(CH3)2 CH3CH2(CH2)2CH3 (C3H7)CH(CH3)2 CH3CH(CH3)CH(CH3)2 CH3CH2(CH2)3CH3 CH3CH2(CH2)4CH3 HCC−H HCCCC−H CHCCH2−H CH3CCCH2−H HCCCH2CH3 CH2=CHCCCH2−H CH3CCCH2CH3 HCCCH2CH2CH3 HCCCH(CH3)2 CH3CCCH(CH3)2 HCCCCCC−H H2C=CH−H CH2=C=CH−H CH3CH=CH−H CH2=CHCH2−H
Do298/kJ mol–1 439.3 ± 0.4 420.5 ±1.3 422.2 ±2.1 410.5 ±2.9 421.3 411.1 ±2.2 419.2 ±4.2 400.4 ±2.9 419.7 ±4.2 400.8 415.1 396.2 ±8.4 399.2 ±13.0 410 410 557.81 ±0.30 539 ±12 372.0 ±4.2 379.5 373.0 363.3 365.3 ±9.6 349.8 ±8.4 345.2 ±8.4 344.3 ±11.3 ~543 ±13 464.2 ±2.5 371.1 ±12.6 464.8 369 ±3
Bond
CH2=CH-CH2CH2−H CH2=CHCH2CH3 CH2=C(CH3)CH2-H CH2=CHCH=CHCH2-H (CH2=CH)2CH−H CH2=CHCH2CH2CH3 CH2=CHCH(CH3)2 CH2=C(CH3CH2)CH2−H (CH2=CH)2C(CH3) −H H-cyclo-C3H5 H-CH2-cyclo-C3H5 H-cyclo-C4H7 H-cyclo-C5H9 H-cyclo-C6H11 H−C6H5 H−CH2C6H5 H−CH(CH3)C6H5 H−CH(C6H5)2 H−CH(C6H4-p-OH)2 H−C(CH3)2C6H5 H−C(C6H5)3 1-H-C8H7 2-H-C8H7 H−CF3 H−CHF2 H−CH2F H−CClF2 H−CCl2F H−CBrF2 H−CHClF H−CCl3
Do298/kJ mol–1 410.5 350.6 372.8 347.3 ±12.6 320.5 ±4.2 348.8 332.6 ±7.1 356.1 ±8.4 322.2 444.8 ±1.0 407.5 ±6.7 409.2 ±1.3 400.0 ±4.2 416.3 472.2 ±2.2 375.5 ±5.0 357.3 ±6.3 353.5 ±2.1 375.8 ±4.7 348.1 ±4.2 338.9 ±8.4 469.4 ± 5.4 468.2 ±5.9 445.2 ±2.9 431.8 ±4.2 423.8 ±4.2 421.3 ±8.4 410.9 ±8.4 415.5 ±12.6 421.7 ±10.0 392.5 ±2.5
Bond
H−CHCl2 H−CH2Cl H−CFClBr H−CHClBr H−CCl2Br H−CClBr2 H−CBr3 H−CHBr2 H−CH2Br H−CI3 H−CHI2 H−CH2I CF3CF2−H CHF2CF2−H CH2FCF2−H CHF2CFH−H CF3CH2−H CH3CF2−H CH2FCHF−H CHF2CH2−H CH2FCH2−H CH3CHF−H CF3CHCl−H CF3CClBr−H CClF2CHF−H CCl3CCl2−H CHCl2CCl2−H CH3CCl2−H CH3CHCl−H CH2ClCH2−H CH3CBr2−H
Do298/kJ mol–1 400.6 ±2.0 419.0 ±2.3 413 ±21 406.0 ±2.4 387 ±21 371 ±21 399.2 ±8.4 417.1 ±7.5 427.2 ±2.4 423 ±29 431.0 ±8.4 431.6 ± 2.8 429.7 ±2.1 431.0 ±18.8 433.0 ±14.6 426.8 ±14.6 446.4 ±4.5 416.3 ±4.2 413.4 ±12.6 433.0 ±14.6 433.5 ±8.4 410.9 ±8.4 425.9 ±6.3 404.2 ±6.3 412.1 ±2.1 397.5 ±8.4 393.3 ±8.4 397.9 ±5.0 406.6 ±1.5 423.1 ±2.4 397.1 ±5.0
Bond Dissociation Energies
9-62 Bond CH2BrCH2−H CH3CHBr−H CF2=CF−H CF3CF2CF2−H CH3CH2CHCl−H CH2=CH-CHF−H CH2=CHCHCl−H CH2=CHCHBr−H H−C6F5 H−CH2OH CH2CHOH CH3CH2OH CH3CH2OH CH3CH2CH2OH CH3CH2CH2OH CH3CH2CH2OH (CH3)2CHOH (CH3)2CHOH CH2=CHCH2OH (CH3)3COH (CH2=CH)2CHOH Ph2CHOH CH3CH(OH)2 (CH2OH)2 HOCH2(CH2)2(OH)CH−H CH3OCH3 CHF2OCF3 CHF2OCHF2 CH3OCF3 CH3OCH2CH3 (CH3)3COC(CH3)3 CH3CH2OCH2CH3 CH3CH2Ot-C(CH3)3 CH3OPh H-2-oxiran-2-yl H-tetrahydrofuran-2-yl HC(O)−H FC(O)−H CH3C(O)−H CF3C(O)−H C2H5C(O)−H CH2=CHC(O)−H C3H7C(O)−H iso-C3H7C(O)−H C4H9C(O)−H (CH3)2CHCH2C(O)−H C2H5CH(CH3)C(O)−H tert-BuC(O)−H Et2CHC(O)−H CH3(CH2)8C(O)−H C6H5C(O)−H PhCH2C(O)−H PhC(CH3)2C(O)−H H−CH=C=O CH3C(O)H CH3C(O)Cl
Do298/kJ mol–1 415.1 ±8.4 406.7 ±4.2 464.4 ±8.4 432.2 407.0 ±3.5 370.7 ±4.6 370.7 ±4.6 374.0 ±4.6 487.4 401.92 ±0.63 467 ±11 401.2 ± 4.2 421.7 ±8 392 394.6 ±8.4 406.3 ±8.4 383.7 ±8.4 394.6 ±8.4 341.4 ±7.5 418.4 ±8.4 288.7 326 ~385 385.3 399.2 402.1 443.5 ±4.2 435.1 ±4.2 426.8 ±4.2 389.1 402.1 389.1 405.4 385.0 420.5 ±6.5 385.3 ±6.7 368.40 ±0.67 423.0 374.0 ±1.3 390.4 374.5 372.8 371.2 364.5 372.0 362.5 360.8 375.1 367.2 373.3 371.1 ±10.9 362.0 362.9 448.1 394.5 ±9.2 ≤423.4
Bond CH3CH2C(O)H CH3COCH3 CF3C(O)CH3 CH3COCH2CH3 MeCOCH2Me EtCOCH2Me CH3CH2COC6H5 MeCH2COPh H−C(O)OH CH3C(O)OH ClCH2C(O)OH H−C(O)OCH3 CH3C(O)OCH3 CH3C(O)OCH3 CH3C(O)OCH2CH3 CH3C(O)OPh CH3CH2C(O)OEt PhCH2C(O)OEt Me2CHC(O)OEt PhCHMe(C(O)OEt) H-furaylmethyl CH3NH2 CH3N=CH2 CH3CH2NH2 C2H5CH2NH2 C3H7CH2NH2 C4H9CH2NH2 HOCH2CH2NH2 (CH3CH2)2NH (C3H7CH2)2NH (C4H9CH2)2NH (C2H5)2NCH2CH3 (C2H5CH2)3N ((CH3)2CCH2)3N (Bu)2NCH2(nPr) ((CH3)2CH)3N (CH3)2CHNH2 CH3NHCH3 (CH3)3N tert-BuN(CH3)2 ((HOCH2CH2)2(CH3))N (HOCH2CH2)3N ((HOCH2)CH(CH3))3N PhCH2NH2 PhN(CH2CH3)2 Ph2NCH3 PhN(CH2Ph)2 N(CH2Ph)3 PhN(CH2CH=CH2)2 N(CH2CH=CH2)3 H2NNH(CH3) HNN(CH3)2 (CH3)2NC6H5 H−CN CH3CN CH3CH2CN
Do298/kJ mol–1 383.7 401.2 ±2.9 465.6 403.8 386.2 ± 7.1 396.5 ±2.8 402.8 ±3.6 388.7 404.2 398.7 ±12.1 398.9 399.2 ±8.4 406.3 ±10.5 404.6 401.7 419.2 ±5.4 400 370.7 387.4 358.2 361.9 ±8.4 392.9 ±8.4 407.9 ±14.6 377.0 ±8.4 380.7 ±8.4 393.3 ±8.4 387.7 ±8.4 379.5 ±8.4 370.7 ±8.4 379.9 ±8.4 384.5 ±8.4 379.5 ±1.7 376.6 ±8.4 388.3 ±8.4 381 ±10.0 387.0 ±8.4 372.0 ±8.4 364.0 ±8.4 380.7 ±8.4 376.6 ±8.4 364.4 ±8.4 379.9 ±8.4 379.9 ±8.4 368.2 383.3 ±4.2 379.5 ±1.7 357.3 ±8.8 372.8 ±2.5 339.3 ±2.9 345.6 ±3.3 410 410 383.7 ±5.4 528.5 ±0.8 405.8 ± 4.2 393.3 ±12.6
Bond
PhCH2CN C6F5CH2CN CH2(CN)2 CH2(CN)(NH2) (CH3)2CHCN CH3NC H−HCNN H−CNN CH3NO2 CH3CH2NO2 C2H5CH2NO2 Me2CHNO2 C6H5C(NO2)CHCH3 H−C(S)H CH3SH CH3SCH3 PhSCH3 PhCH2SPh (PhS)2CHPh PhSCHPh2 CH3SOCH3 CH3SO2CH3 CH3SO2CF3 CH3SO2Ph PhCH2SO2Me PhCH2SO2CF3 PhCH2SO2tBu Ph2CHSO2Ph CH2(SPh)2 H−CH2SiMe3 H−CH2C(CH3)2SiMe3 H−CH2SiMe2Ph H−CH((CH3)3Si)2 H−CH2B(RO)2 H−CH((CH3)2P)2
Do298/kJ mol–1 344.3 350.6 366.5 355.2 384.5 389.1 ±12.6 405.8 ±8.4 331 ±17 415.4 410.5 410.5 394.9 357.3 399.6 ±5.0 392.9 ±8.4 392.0 ±5.9 389.1 352.3 341.0 344.8 393.3 414.2 431.0 414.2 380.7 372.4 376.6 365.3 372.4 418 ±6.3 409 ±5 410.1 397 ±13 412.5 385 ±13
(2) C−C BDEs CH3−CH3 CH3−C2H5 CH3−C3H7 CH3−iso-C3H7 CH3−C4H9 CH3−iso-C4H9 CH3−sec-C4H9 CH3−tert-C4H9 CH3−C5H11 CH3−CH(C2H5)2 CH3−C(CH3)2(CH2CH3) CH3−C6H13 C2H5−C2H5 C3H7−C3H7 iso-C3H7−iso-C3H7 C4H9−C4H9 iso-C4H9−iso-C4H9 sec-C4H9−sec-C4H9 tert-C4H9−tert-C4H9
377.4 ±0.8 370.3 ±2.1 372.0 ±2.9 369.0 ±3.8 371.5 ±2.9 370.3 ±4.6 368.2 ±2.9 363.6 ±2.9 368.4 ±6.3 365.7 ±4.2 360.9 ±6.3 368.2 ±6.3 363.2 ±2.5 366.1 ±3.3 353.5 ±4.6 364.0 ±3.8 362.3 ±6.3 348.5 ±3.3 322.6 ±4.2
Bond Dissociation Energies Bond CH3−cyclo-C5H9 CH3−cyclo-C6H11 cyclo-C6H11−cyclo-C6H11 CH3−CH2C≡CH CH3−CH2C≡CCH3 CH3−CH(CH3)C≡CH CH3−CH(CH3)C≡CCH3 CH3−C(CH3)2C≡CH CH3−C(CH3)2C≡CCH3 CH3−CHCH2 CH3−CH=CCH2 CH3−cyclopro-en-1-yl CH3−CH2CH=CH2 CH3−CH2C(CH3)=CH2 CH3−CH(CH3)CH=CH2 CH3−C(CH3)2CH=CH2 CH3−cyclo-C5H7 CH3−C6H5 HCC−C6H5 C2H3−C6H5 CH3-CH2C6H5 CH3−CH(CH3)C6H5 CH3−C(CH3)2C6H5 CH3−CH2CHCHPh CH3−CH(C6H5)2 CH3−C(CH3)(C6H5)2 C6H5−C6H5 C6H5−CH2C6H5 C6H5CH2−CH2C6H5 C6H5−CH(C6H5)2 C6H5−C(C6H5)3 Ph2CH−CHPh2 PhCH2−CPh3 R-R, π-dimer, R = phenalenyl R-R, σ-dimer, R = phenalenyl R-R, R = 9-phenylfluorenyl CF3−CF3 CF3−CHF2 CF3−CClF2 CF3−CH2F CF3−CCl3 CF3−CHBrCl CF3−CH2Br CF3−CH2I CF3−CH3 CHF2−CHF2 CClF2−CClF2 CF2Cl−CFCl2 CHF2−CH2F CH2F−CH2F CHF2−CH3 CH2F−CH3 CHClF−CH3 CF2Br−CHClF CF2Br−CH3 CCl3−CCl3
Do298/kJ mol–1 358.2 ±5.0 377.0 ±7.5 369.0 ±8.4 320.5 ±5.0 308.4 ±6.3 305.4 ±8.4 320.9 ±6.3 295.8 ±6.3 303.3 ±6.3 426.3 ±6.3 359.8 ±5.9 340.6 ±20.9 317.6 ±3.8 310.0 ±4.2 302.5 ±6.3 282.4 ±6.3 299.2 ±8.4 426.8 ±4.2 590.8 ±5.9 482.0 ±5.4 325.1 ±4.2 318.8 ±8.4 303.3 ±8.4 295.4 315.9 ±6.3 290.8 ±8.4 478.6 ±6.3 383.7 ±8.4 272.8 ±9.2 361.1 ±8.4 324.3 ±12.6 247.3 ±8.4 234.7 ±14.6 42 42.7 63.6 413.0 ±5.0 399.6 ±8.4 373.6 ±12.5 397.5 ±8.4 332.2 ±5.4 377.0 ±10.5 399.6 ±8.4 408.4 ±10.5 429.3 ±5.0 382.4 ±15.5 378.7 ±12.6 358.6 ±12.6 394.1 ±16.7 368.2 ±8.4 405.0 ±8.4 388.3 ±8.4 399.6 ±12.6 369.4 396.6 ±15.1 285.8 ±6.3
9-63 Bond
CCl3−CClF2 CCl3−CHCl2 CCl3−CH2Cl CCl3−CH3 CHCl2−CHCl2 CHCl2−CH2Cl CHCl2−CH3 CHBrCl−CH3 CHClBr−CHClBr CH2Cl−CH2Cl CH2Cl−CH3 Br3C−CH3 Br3C−CBr3 CHBr2−CH3 CH2Br−CH2Cl CH2Br−CH2Br CH2I−CH2I CH3−CH2Br CH3−CH2I CF3−CF2CF3 CF3−CF=CF2 CH3−CH2CH2Cl CH3−CHClCH3 CH2Cl−CHClCH3 CH2Cl−CH2CClH2 CH3−CCl2CH3 CH2Br−CHBrCH3 CH2ClCH2−CHClCH3 CH2ClCH2−CH2CClH2 CH3CHBr−CHBrCH3 CF3−C6H5 CCl3−C6H5 CH3−C6F5 CF3−C6F5 CF3−CH2C6H5 C6F5−C6F5 CF3−CHPh2 CF3−CPh3 CF2CF−CFCF2 CH2FCH2−CPh3 CHF2CH2−CPh3 CH3−CH2OH CF3−CH2OH C2H5−CH2OH C3H7−CH2OH iso-C3H7−CH2OH C4H9−CH2OH sec-C4H9−CH2OH iso-C4H9−CH2OH C6H5−CH2OH HOH2C−CH2OH NH2CH2−CH2OH CH3−CH2OCH3 CH3OCH2−CH2OCH3 CH3−C(O)H CCl3−C(O)H
Do298/kJ mol–1 282.0 ±12.6 303.3 ±6.3 323.8 ±8.4 362.3 ±6.3 326.9 ±4.1 352.2 ±5.9 361.3 ±2.5 384.5 317.1 ±12.6 360.7 ±8.4 375.7 ±9.2 356.9 ±12.6 278.7 ±16.7 372.8 378.2 379.9 ±8.4 387.0 ±10.5 381.6 ±8.4 384.5 ±8.4 424.3 ±13.6 420.5 371.4 ±2.8 367.5 ±2.0 356.5 ±8.4 369.0 ±8.4 362.8 ±8.4 369.4 ±8.4 364.4 ±8.4 369.0 ±8.4 355.6 ±8.4 463.2 ±12.6 388.7 ±8.4 439.3 435.1 365.7 ±12.6 488.3 352.3 ±16.7 290.8 ±16.7 558.1 ±12.6 274.9 ±16.7 264.0 ±16.7 364.8 ±4.2 405.4 ±6.3 356.9 ±5.0 357.3 ±3.3 354.8 ±4.2 355.6 ±4.2 352.7 ±4.2 354.0 ±5.4 413.4 ±5.4 358.2 ±6.3 335.6 ±10.5 363.2 ±5.0 338.9 ±10.5 354.8 ±1.7 309.2 ±5.0
Bond
CH3−C(O)F CH3−C(O)Cl CCl3−C(O)Cl CHCl2−C(O)Cl CClH2−C(O)Cl C6H5−C(O)H C6H5−C(O)Cl CH3−C(O)CH3 C2H5−C(O)CH3 C3H7−C(O)CH3 iso-C3H7−C(O)CH3 C4H7−C(O)CH3 tert-C4H9−C(O)CH3 C6H5−C(O)CH3 C6H5CH2−C(O)CH3 HC(O)−C(O)H ClC(O)−C(O)Cl CH3C(O)−C(O)H CH3C(O)−C(O)CH3 C6H5C(O)−C(O)C6H5 CH3−C(O)OH CF3−C(O)OH CCl3−C(O)OH CClH2−C(O)OH CH2Br−C(O)OH NH2CH2−C(O)OH CH3NHCH2−C(O)OH C6H5−C(O)OH C6F5−C(O)OH HOCH2−C(O)OH HOC(O)−C(O)OH CH3NHCH2−C(O)OH CH3CH(NH2)−C(O)OH NH2CH2−CH2C(O)OH CN−CN HC(O)−CN HC(S)−CN CF3−CN CH3−CN NCC−CN C2H5−CN CH3−CH2CN C6H5−CH2CN CH3−CH(CH3)CN CH3−C(CH3)2CN CH3−C(CH3)(CN)C6H5 (Ph)2(CN)C−C(CN)(Ph)2 (NO2)3C−C(NO2)3 C58−C2
Do298/kJ mol–1 417.6 ±6.3 367.8 ±6.3 289.1 ±6.3 312.5 ±8.4 340.2 ±8.4 408.4 ±4.2 417.6 ±6.3 351.9 ±2.1 347.3 ±2.9 348.5 ±2.9 340.2 ±3.8 346.9 ±5.4 329.3 ±4.2 406.7 ±4.6 299.7 ±8.4 295.8 ±6.3 292.5 ±8.4 302.5 ±8.4 307.1 ±4.2 288.3 ±16.7 384.9 ±8.4 370.7 ±8.4 310.5 ±12.6 357.7 ±8.4 358.2 ±8.4 349.4 ±8.4 300.4 ±8.4 429.7 ±8.4 470.0 ±10.5 371.5 ±5.4 334.7 ±6.3 301.2 ±16.7 331.4 ±16.7 325.5 ±16.7 571.9 ±6.7 455.2 ±8.4 530.1 ±8.4 469.0 ±4.2 521.7 ±9.2 462.3 506.7 ±7.5 348.1 ±12.6 386.6 ±8.4 332.6 ±8.4 340.6 ±16.7 250.6 109.6 308.8 955.2 ± 14.5
(3) C−halogen BDEs F−CN F−CF3 F−CHF2 F−CH2F F−CF2Cl
482.8 546.8 ±2.1 533.9 ±5.9 496.2 ±8.8 511.7
Bond Dissociation Energies
9-64 Bond
F−CFCl2 F−CHFCl F−CCl3 F−CH2Cl F−CH3 F−C≡CH F−C≡CF F−CF=CF2 F−CF2CF3 F−CH2CF3 F−CF2CH3 F−C2H3 F−C2H5 F−C3H7 F−iso-C3H7 F−tert-C4H9 F−C6H5 F−C6F5 F−CH2C6H5 F−COH F−COF F−COCl F−C(O)CH3 Cl−CN Cl−CF3 Cl−CHF2 Cl−CH2F Cl−CF2Cl Cl−CFCl2 Cl−CHFCl Cl−CCl3 Cl−CHCl2 Cl−CH2Cl Cl−CBrCl2 Cl−CH2Br Cl−CH2I Cl−CH3 Cl−C≡CCl Cl−C≡CH Cl−CH2CN Cl−CCl=CCl2 Cl−CH=CH2 Cl−CF=CF2 Cl−CF2CF3 Cl−CF2CF2Cl Cl−CCl2CF3 Cl−CCl2CCl3 Cl−CHClCCl3 Cl−CCl2CHCl2 Cl−CHClCH3 Cl−CH2CH2Cl Cl−CHBrCH3 Cl−CH2CH3 Cl−CH2CH=CH2 Cl−C3H7 Cl−CH2CH2CH2Cl
Do298/kJ mol–1 482.0 ±10.5 462.3 ±10.0 439.3 ±4 465.3 ±9.6 460.2 ±8.4 521.3 519 ±21 546.4 ±12.6 532.2 ±6.3 457.7 522.2 ±8.4 517.6 ±12.6 467.4 ±8.4 474.9 ±8.4 483.8 ±8.4 495.8 ±8.4 525.5 ±8.4 485 ±25 412.8 ±4.2 497.9 ±10.5 510.3 484.5 511.7 ±12.6 422.6 ±8.4 365.3 ±3.8 364 ±8 354.4 ±11.7 333.9 ±10.5 320.9 ±8.4 346.0 ±13.4 296.6 311.1 ±2.0 338.0 ± 3.3 287 ±10.5 332.8 ± 4.6 328.2 ± 6.9 350.2 ±1.7 443 ±50 435.6 ±8.4 267.4 383.7 396.5 ±4.8 434.7 ±8.4 346.0 ±7.1 331.4 ±20.9 307.9 303.8 330.5 ±4.2 311.7 327.9 ±1.8 345.1 ±5.0 331.8 ±8.4 352.3 ±3.3 298.3 ±5.0 352.7 ±4.2 348.9
Bond
Cl−iso-C3H7 Cl−CH2CHCH=CH2 Cl−C4H9 Cl−sec-C4H9 Cl−tert-C4H9 CH2CHCHCl(CH3) Cl−C5H11 Cl−C(CH3)2(C2H5) Cl−cyclo-C6H11 Cl−C6H5 Cl−C6F5 Cl−CH2C6H5 Cl−C(O)Cl Cl−COF Cl−C(O)CH3 Cl−C(O)CH2CH3 Cl−C(O)C6H5 Cl−CH2C(O)C6H5 Cl−CH2C(O)OH Cl−C(O)OC6H5 Cl−C(NO2)3 Br−CN Br−CF3 Br−CHF2 Br−CF2Cl Br−CCl3 Br−CH2Cl Br−CBr3 Br−CHBr2 Br−CH2Br Br−CH2I Br−CH3 Br−C≡CH Br−CH=CH2 Br−CF2CF3 Br−CClBrCF3 Br−CF2CF2Br Br−CHClCF3 Br−CF2CH3 Br−CH2CH2Cl Br−CHClCH3 Br−C2H5 Br−CH2CH=CH2 Br−C3H7 Br−iso-C3H7 Br−CH2CH2CH2Br Br−CF2CF2CF3 CF3CFBrCF3 Br−C4H9 Br−sec-C4H9 Br−tert-C4H9 Br−C6H5 Br−C6F5 Br-CH2C6H5 Br−CH2C6F5 Br−1−C10H7
Do298/kJ mol–1 354.0 ±6.3 342.7 350.6 ±6.3 350.2 ±6.3 351.9 ±6.3 300.0 ±6.3 350.6 ±6.3 352.7 ±6.3 360.2 ±6.5 399.6 ±6.3 383.3 ±8.4 299.9 ±4.3 318.8 ±8.4 376.6 354.0 ±8.4 353.3 ±6.3 341.0 ±8.4 309 310.9 ±2.2 364 302.1 364.8 ±4.2 296.2 ±1.3 288.7 ±8.4 269.9 ±6.3 231.4 ±4.2 277.3 ± 3.6 242.3 ±8.4 274.9 ±13.0 276.1 ±5.3 274.5 ±7.5 294.1 ± 2.1 410.5 338.3 ±3.1 283.3 ±6.3 251.0 ±6.3 282.8 ±6.7 274.9 ±6.3 287.0 ±5.4 292.5 ±8.4 272.0 ±8.4 292.9 ±4.2 237.2 ±5.0 298.3 ±4.2 299.2 ±6.3 324.7 278.2 ±10.5 274.2 ±4.6 296.6 ±4.2 300.0 ±4.2 292.9 ±6.3 336.4 ±6.3 ~328 239.3 ±6.3 225.1 ±6.3 339.7
Bond
Br−2−C10H7 Br−anthracenyl Br−C(O)CH3 Br−C(O)C6H5 Br−CH2C(O)CH3 Br−CH2C(O)C6H5 Br−CH2C(O)OH Br−C(NO2)3 I−CN I−CF3 I−CCl3 I−CH2Cl I−CH2Br I−CH2I I−CH3 I−CH2CN I−CF2CF3 I−CF2CF2I I−CH2CF3 I−CHFCClF2 I−CF2CH3 I-CFICH3 CF3CFICF3 I−CH=CH2 I−C2H5 I−CH2CH=CH2 I−C3H7 I−iso-C3H7 I−C4F9 I−tert-C4H9 I−C6H5 I−C6F5 I−CH2C6H5 I−1-naphthyl I−2-naphthyl I−CH2CN I−CH2OCH3 I−CH2SCH3 I−C(O)CH3 I−C(O)C6H5 I−CH2C(O)OH I−C(NO2)3
Do298/kJ mol–1 341.8 322.6 292.0 ±8.4 276.6 ±8.4 257.9 ±10.5 271 257.4 ±3.7 218.4 320.1 227.2 ±1.3 168 ±42 221.8 ±4.2 219.2 ± 5.4 216.9 ± 7.9 238.9 ±2.1 187.0 ±6.3 219.2 ±2.1 217.6 ±6.7 235.6 ±4.2 202 ±2 217.6 ±4.2 218.0 ±4.2 215.1 259.0 ±4.2 233.5 ±6.3 185.8 ±6.3 236.8 ±4.2 234.7 ±6.3 205.8 227.2 ±6.3 272.0 ±4.2 <301.7 187.8 ±4.8 274.5 ±10.5 272.0 ±10.5 187.0 ±8.4 229.4 ±8.4 216.8 ±6.3 223.0 ±8.4 212.1 ±8.4 197.5 ±2.7 144.8
(4) O−X BDEs HO−H FO−H ClO−H BrO−H IO−H CH3O−H CF3O−H HC≡CO−H C2H5O−H CH2=CHO−H CF3CH2O−H C3H7O−H
497.10 ±0.29 425.1 393.7 405 403.3 440.2 ±3 497.1 443.1 441.0 ±5.9 355.6 447.7 ±10.5 ≤433 ±2
Bond Dissociation Energies Bond iso-C3H7O−H C4H9O−H sec-C4H9O−H tert-C4H9O−H tert-BuCH2O−H C6H5CH2O−H CH3C(OH)O−H (CH3)2C(OH)O−H HC(O)O−H CH3C(O)O−H C2H5C(O)O−H iso-C3H7C(O)O−H C6H5C(O)O−H HOO−H CH3OO−H CF3OO−H CH2FOO−H CCl3OO−H CHCl2OO−H CH2ClOO−H CBr3OO−H CH2BrOO−H C2H5OO−H CH3CHClOO−H CH3CCl2OO−H CF3CHClOO−H C2Cl5OO−H iso-C3H7OO−H CH2=CHCH2OO−H tert-C4H9OO−H C6H5OO−H C6H5CH2OO−H (C6H5)2CHOO−H CH3C(O)OO−H CCl2(CN)OO−H OHCH2OO−H H−ONO H−OONO H−ONH2 H−ONO2 H−ONNOH H−OPO2 H−OSO2OH H−OSiMe3 (CH3)CHNO-H (CH3)2CNO-H (C6H5)CHNO-H PhO−H α-tocopherol RO-H β-tocopherol RO-H γ-tocopherol RO-H δ-tocopherol RO-H p-C6H5CH2-C6H4O-H O−O2 HO−OH HO−OF
Do298/kJ mol–1 442.3 ±2.8 432.3 441.4 ±4.2 444.9 ±2.8 436.1 442.7 ± 8.8 446.9 ±6.3 450.6 ±6.3 468.6 ±12.6 468.6 ±12.6 472.8 472.8 464.4 ± 16.7 366.06 ±0.29 370.3 ±2.1 383 379 386 383 379 383 379 354.8 ±9.2 377 383 384 383 356 372.4 352.3 ± 8.8 384 363 370 386 384 368 330.7 299.2 318 426.8 189 465.7 ± 12.6 441.4 ± 14.6 495 354.4 354.0 368.6 362.8 ± 2.9 323.4 335.6 335.1 342.8 356.2 106.6 210.66 ±0.42 199.7 ±8.4
9-65 Bond
HO−OCl HO−OBr FO−OF ClO−OCl IO−OI trans-perp-HO−ONO cis-cis-HO−ONO HO−ONO2 HO−OCH3 HO−OCF3 HO−OC2H5 HO−O-iso-C3H7 HO−O-tert-C4H9 HO−OC(O)CH3 HO−OC(O)C2H5 CH3O−OCH3 CF3O−OCF3 C2H5O−OC2H5 C3H7O−OC3H7 iso-C3H7O−O-iso-C3H7 sec-C4H9O−O-sec-C4H9 tert-BuO−O-tert-Bu tert-BuCH2O−OCH2-tert-Bu EtC(Me)2O−OC(Me)2Et (CF3)3CO−OC(CF3)3 Ph3CO−OCPh3 SF5O−OSF5 SF5O−OOSF5 (CH3)3CO−OSi(CH3)3 tert-BuO−OGeEt3 tert-BuO−OSnEt3 CF3OO−OCF3 HC(O)O−OH FC(O)O−OC(O)F CH3C(O)O−ONO2 CH3C(O)O−OC(O)CH3 CF3C(O)O−OC(O)CF3 CF3OC(O)O−OC(O)F CF3OC(O)O−OCF3 CF3OC(O)O−OC(O)OCF3 C2H5C(O)O−OC(O)C2H5 C3H7C(O)O−OC(O)C3H7 FS(O)2O-OS(O)2F HO−CF3 FO−CF3 HO−CH3 HO−C2H5 HO−CH2CF3 HO−CH2CH=CH2 HO−C3H7 HO−iso-C3H7 HO−C4H9 HO−sec-C4H9 HO−iso-C4H9 HO−tert-C4H9 HO−CH(CH3)(nC3H7)
Do298/kJ mol–1 ~146 138.5 ±8.4 199.6 72.4 ±2.8 74.9 ±17 ≤67.8 ± 0.4 83.3 ± 2.1 163.2 ±8.4 189.1 ±4.2 201.3 ±20.9 178.7 ±6.3 185.8 ±6.3 186.2 ±4.2 169.9 ±2.1 169.9 ±2.1 167.4 ±6.3 198.7 ±2.1 166.1 155.2 ±4.2 157.7 152.3 ±4.2 162.8 ±2.1 152.3 164.4 ±4.2 148.5 ±4.6 131.4 155.6 126.8 196.6 192.5 192.5 126.8 ±8.4 199.2 ±8.4 96.2 131.4 ±8.4 140.2 ±21 125.5 121.3 ± 4.2 142.3 ± 2.9 119.2 150.6 150.6 92−100 ≤482.0 ±1.3 408 ±17 384.93 ±0.71 391.2 ±2.9 408.4 ±8.4 332.6 ±4.2 392.0 ±2.9 397.9 ±4.2 389.9 ±4.2 396.1 ±4.2 394.1 ±4.2 398.3 ±4.2 398.3 ±4.2
Bond HO−CH(C2H5)2 HO−C(CH3)2(C2H5) HO−C6H5 HO−C6F5 HO−CH2C6H5 HO−C(CH3)2C6H5 cyclo-C5H9−OH 1-C10H7−OH 2-C10H7−OH (CH3)2(NH2)C−OH CH3C(O)-OH HOCH2-OH CH3−OCH3 ICH2−OCH3 CH3O−C2H5 CH3O−CHClCH3 CH3O−C3H7 CH3O−iso-C3H7 CH3O-C4H9 CH3O-tert-C4H9 C6H5−OCH3 C6H5CH(CH3)−OCH3 C6H5−OC6H5 CH3−OC(O)H HC(O)−OH CH3C(O)−OH C6H5C(O)−OH HO−CH2C(O)OH CH3-OC(O)CH3 HC(O)−OCH3 CH3C(O)−OCH3 C6H5C(O)−OCH3 C6H5C(O)−OC6H5 CH3OCH2−OCH3 CH3C(O)−OC(O)CH3 C6H5C(O)−OC(O)C6H5 CH3−OOH C2H5−OOH C3H7−OOH iso-C3H7−OOH tert-C4H9−OOH CH3−OOCH3 CF3−OOCF3 CH3−OO CF3−OO CClF2−OO CCl2F-OO CH2Cl−OO CHCl2−OO CCl3−OO HC(O)−OOH CH3C(O)−OOC(O)CH3 ClO−CF3 CH3−ONO C2H5−ONO C3H7−ONO
Do298/kJ mol–1 399.2 ±4.2 395.8 ±6.3 463.6 ±4.2 446.9 ±9.2 334.1 ±2.6 339.3 ±6.3 385.8 ±6.3 468.6 ±6.3 467.8 ±6.3 310.4 ±6.3 459.4 ±4.2 411.3 351.9 ±4.2 373.2 ±12.6 355.2 ±5.4 370.3 ±8.4 358.6 ±6.3 360.7 ±4.2 346.0 ±6.3 353.1 ±6.3 418.8 ±5.9 313.4 ±9.6 326.8 ±4.2 383.7 ±12.6 457.7 ±2.1 459.4 ±4.2 447.7 ±10.5 368.2 ±10.5 380.3 ±12.6 423.8 ±4.2 424.3 ±6.3 421.3 ±12.6 307.5 ±8.4 367.5 ±8.4 382.4 ±12.6 384.9 ±16.7 300.4 ±12.6 332.2 ±20.9 364.4 298.3 309.2 ±4.2 292.5 ±8.4 361.5 ±8.4 137.0 ±3.8 169.0 127.6 124.7 122.4 ±10.5 108.2 ±8.2 92.0 ±6.4 290.0 315.1 ≤369.9 ±1.3 245.2 260.2 249.4 ±6.3
Bond Dissociation Energies
9-66 Bond iso-C3H7−ONO C4H9−ONO iso-C4H9−ONO sec-C4H9−ONO tert-C4H9−ONO (C2H5)(CH3)2C−ONO CH3−ONO2 C2H5−ONO2 CH3O−CH2CN O−N2 O−NO O−NO2 NO−NO O2N−ONO2 cis-HO−NO trans-HO-NO FO−NO cis-ClO−NO trans-ClO−NO cis-BrO−NO trans-BrO−NO trans-perp-HOO−NO CH3O−NO C2H5O−NO C3H7O−NO iso-C3H7O−NO C4H9O−NO iso-C4H9O−NO sec-C4H9O−NO tert-C4H9O−NO tert-AmO−NO C6H5O−NO HO−NO2 FO−NO2 ClO−NO2 BrO−NO2 IO−NO2 CH3O−NO2 C2H5O−NO2 C3H7O−NO2 iso-C3H7O−NO2 HOO−NO2 CH3OO−NO2 CF3OO−NO2 CF2ClOO−NO2 CFCl2OO−NO2 CCl3OO−NO2 CH3N(O)-O C6H5N(O)-O C5H5N-O C6H5N=N(O)(C6H5)-O C6H5(O)N=N(O)(C6H5)-O O−SO O−SOF2 O−SOCl2 O−S(OH)2
Do298/kJ mol–1 254.4 ±6.3 256.5 ±6.3 254.0 ±6.3 253.6 ±6.3 252.7 ±6.3 254.0 ±8.4 340.2 344.8 393.3 167.4 ±0.4 306.21 ± 0.13 206.3 40.6 ±2.1 95.4 ± 1.5 207.0 200.64 ± 0.19 132.5 ±17 127.6 ±8.4 116.6 ±8.4 138.1 ±8.4 121.6 ±8.4 114.2 ±4 176.6 ±3.3 185.4 ±4.2 179.1 ±6.3 175.3 ±4.2 177.8 ±6.5 175.7 ±6.5 173.6 ±3.3 176.1 ±5.9 171.1 ±0.4 87.0 205.4 131.8 ±12.6 111.8 ±2.1 118.0 ±6.3 ~100 176.1 ±4.2 174.5 ±4.2 177.0 ±4.2 175.7 ±4.2 99.2 ±4.6 86.6 ±8.4 105 106.7 106.7 95.8 305.3 ± 4.4 392 ± 8 264.9 ± 2.0 309.4 ± 3.5 309.4 ± 3.6 551.1 513.3 398.5 493.7 ± 25
Bond
HO−SH HO−SOH HO−S(OH)O2 HO−SCH3 HO−SO2CH3 F−OH F−OF F−OCF3 F−OCH3 F−ONO2 Cl−OH Cl−OCl Cl−OCF3 Cl−OCH3 Cl−O-tert-C4H9 Cl−OOCl Cl−ONO2 Br−OH Br−OBr Br−O-tert-C4H9 Br−ONO2 I−OH I−OI I-ONO2
Do298/kJ mol–1 293.3 ±16.7 313.4 ±12.6 384.9 ±8.4 303.8 ±12.6 360.2 ±12.6 215.1 164.1 200.8 ±4.2 >196.6 143.1 233.5 142 ≤220.9 ±8.4 200.8 198.3 91.2 172.0 209.6 ±4.2 125 183.3 143.1 ± 6.3 213.4 130.1 >140.6
(5) N−X BDEs H−NH2 H−NF2 H−NNH H−N3 H−N=CH2 H−NO H−NHOH H−NCO H−NCS H−NCS CH3NH2 tert-BuNH2 C6H5CH2NH2 (CH3)2NH H−NHNH(CH3) H−NHN(CH3)2 NH2CN (NH2)2C=O (NH2)2C=S CH3CSNH2 PhCSNH2 (PhNH)2C=S (NH2)2C=NH Ph2C=NH H−N(SiMe3)2 H−ΝΗPh C6H5NHOH C6H5NH(CONMe2) H−ΝPh2 HN−N2
450.08 ±0.24 316.7 ±10.5 254.4 ≤389 364 ±25 199.5 341 460.7 ± 2.1 ≤396.6 ±4.6 347.3 ± 8.4 425.1 ±8.4 397.5 ±8.4 418.4 395.8 ±8.4 276 ±21 356 ±21 414.2 464.4 389.1 380.7 380.7 364.0 435.1 489.5 464 375.3 292 387.9 364.8 63
Bond
ON−N ON−NO ON−NO2 O2N−NO2 H2N−NH2 F2N−NF2 H2N−NHCH3 H2N−N(CH3)2 H2N−NHC6H5 H2N−NO2 H2NN(CH3)−NO (C6H5)2N-NO N3−CH3 N3−C6H5 N3−CH2C6H5 CH3−NC C2H5−NC iso-C3H7−NC tert-C4H9−NC NC−NO CH3−NO CF3−NO CCl3−NO C2H5−NO CH2CHCH2−NO iso-C3H7−NO tert-C4H9−NO C6H5−NO C6F5−NO C6H5CH2−NO CH3−NO2 C2H5−NO2 C3H7−NO2 iso-C3H7−NO2 C4H9−NO2 sec-C4H9−NO2 tert-C4H9−NO2 C6H5−NO2 C6H5CH2−NO2 (NO2)CH2−NO2 (NO2)3C−NO2 CF3−NF2 C6H5CH2−NF2 CH3−NH2 C2H5−NH2 C3H7−NH2 iso-C3H7−NH2 C4H9−NH2 sec-C4H9−NH2 iso-C4H9−NH2 tert-C4H9−NH2 pyridin-2-yl−NH2 C6H5−NH2 C6H5CH2−NH2 C6H5CH(CH)3−NH2 HC(O)−NH2
Do298/kJ mol–1 480.7 ±0.4 8.49 ±0.12 42.5 57.3 ± 1 277.0 ± 1.3 92.9 ±12.6 275.8 ±8.4 259.8 ±8.4 227.6 ±8.4 230 179.6 94.6 335.1 ±20.5 375.7 ±20.9 211.3 ±14.2 413.0 ±3.3 413.4 ±8.4 423.0 ±8.4 399.6 ±5.4 204.4 172 167 125 171.5 110 152.7 ±12.6 167 226.8 ±2.1 211.3 ±4.2 123 260.7 ±2.1 254.4 256.5 259.8 254.8 263.2 258.6 295.8 ±4.2 210.3 ±6.3 207.1 176.1 280.7 237.2 ±14.6 356.1 ±2.1 352.3 ±6.3 356.1 ±2.9 357.7 ±3.8 356.1 ±2.9 359.0 ±2.9 254.8 ±5.0 355.6 ±6.3 431 429.3 ±4.2 306.7 ±6.3 307.5 ±9.6 421.7 ±8.4
Bond Dissociation Energies Bond CH3C(O)−NH2 HS−NO CH3S−NO tert-BuS−NO PhCH2S−NO C6H5S-NO SCN−SCN FSO2−NF2 F−NO F−NO2 F−NF2 F−NH2 Cl−NO Cl−NO2 Cl−NF2 Cl−NH2 Br−NO Br−NO2 Br−NF2 I−NO I−NO2
Do298/kJ mol–1 414.6 ±8.4 138.9 104.6 ±4.2 115.1 120.5 81.2 ±5.4 255.6 163 235.26 221.3 254.0 286.6 158.8 ±0.8 141.8 ±1.3 ~134 253.1 120.1 ±0.8 82.0 ±7.1 <227.2 75.6 ±4 79.6 ±4
(6) S−X BDEs H−SH H−SCH3 H−SCHCH2 H−SC2H5 H−SC3H7 H−S-iso-C3H7 H−S-tert-C4H9 H−SOH H−SCOCH3 H−SCOPh H−SO2CH3 H−SSCH3 H−SPh H−SSH H−SSSH HS−SH FS−SF ClS−SCl HS−SCH3 HS−SPh CH3S−SCH3 C2H5S−SC2H5 MeS−SPh C6H5S−SC6H5 F5S−SF5 HS−CH3 HS−C2H5 HS−C3H7 HS−iso-C3H7 HS−C4H9 HS−sec-C4H9 HS−iso-C4H9 HS−tert-C4H9
381.18 ±0.05 365.7 ±2.1 351.5 ±8.4 365.3 365.7 369.9 ±8.4 362.3 ±9.2 330.5 ±14.6 370.7 364 ≤397 330.5 ±14.6 349.4 ±4.5 318.0 ±14.6 292.9 ±6.5 270.7 ±8.4 362.3 329.7 272.0 255.2 ±6.3 272.8 ±3.8 276.6 272.0 ±6.3 214.2 ±12.6 305 ±21 312.5 ±4.2 307.9 ±2.1 310.5 ±2.9 307.1 ±3.8 309.2 ±2.9 307.5 ±2.9 310.0 ±4.6 301.2 ±3.8
9-67 Bond
HS−C6H5 HS−CH2C6H5 HS−C(O)H HS−C(O)CH3 CH3S−CH3 HOS−CH3 CH3SO−CH3 HOSO2−CH3 CH3SO2−CH3 F5S−CF3 F−SF5 F−SO2(F) Cl−SF5 Cl−SO2CH3 Cl-SO2Ph Br-SBr Br−SF5 I-SH I-SCH3
Do298/kJ mol–1 360.7 ±6.3 258.2 ±6.3 309.6 ±8.4 307.9 ±6.3 307.9 ±3.3 284.9 ±12.6 221.8 ±8.4 324.3 ±12.6 279.5 392 ±43 391.6 379 <272 293 297 259 ± 17 <230 206.7 ± 8.4 206.3 ± 7.1
(7) Si-, Ge-, Sn-, and Pb−X BDEs SiH3−H 383.7 ±2.1 Me3Si−H 396 ±7 H5Si2−H 373 ±8 (C2H5)3Si−H 396 ±4 C6H5SiH2−H 382 ±5 (CH3S)3Si−H 364.0 (iPrS)3Si−H 376.6 PhMe2Si−H 377 ±7 Ph2SiH−H 379 ±7 Ph2MeSi−H 361 ±10 SiF3−H 432 ±5 SiCl3−H 395 ±5 SiBr3−H 334 ±8 SiH3−SiH3 321 ±4 SiH3−Si2H5 313 ±8 Ph3Si−SiPh3 368.2 F3Si−SiF3 453.1 ±25 SiH3−CH3 375 ±5 SiF3−CH3 355.6 H3Si−NO 158.2 ±5.7 H3Si−PH2 331.4 SiH3−F 638 ±5 SiH3−Cl 458 ±7 SiH3−Br 376 ±9 SiH3−I 299 ±8 GeH3−H 348.9 ±8.4 Me3Ge−H 364.0 Ph3Ge−H 359.8 (CH3)3Ge-Ge(CH3)3 280.3 (CH3)3Ge-CH3 288.7 Me3Sn−H 326.4 Ph3Sn−H 294.6 (CH3)3Sn-Sn(CH3)3 257.7 (CH3)3Sn-Cl 425 ± 17 (CH3)3Pb-Pb(CH3)3 228.4
Bond
Cl3Pb-Cl (CH3)3Pb-CH3
Do298/kJ mol–1 271 ± 84 238 ± 21
(8) P-, As-, Sb-, Bi−X BDEs H2P−H CH3PH−H H2P−PH2 (C2H5)2P−P(C2H5)2 F2P−F Cl2P−Cl Br2P−Br I2P−I H2P−SiH3 H2As−H H2Sb-H F2Bi−F Br2Bi−Br
351.0 ±2.1 322.2 ±12.6 256.1 359.8 549 356 ±8 <259 217 331.4 319.2 ±0.8 288.3 ±2.1 435 ±19 >297.1
(9) Se- and Te−X BDEs H−SeH H−SeC6H5 PhSe−SePh H−TeH H−TeC6H5 PhTe−TePh
334.93 ±0.75 326.4 ±16.7 280 ±19 277.0 ±5.0 ≤264 138.1 ± 12.6
(10) Metal-Centered BDEs Arranged by the Periodic Table (10.1) Group 1 Li−OH Li−C2H5 Li−nC4H9 Na−OH Na−O2 K−OH Rb−OH Cs−OH (10.2) Group 2 BeO−H Be(OH)−OH MgO−H Mg(OH)−OH BrMg−CH3 BrMg−CH2CH3 BrMg−i-C3H7 BrMg−t-C4H9 BrMg−C6H5 BrMg−CH2C6H5 BrMg−C(C6H5)3 Ca(OH)−OH Sr(OH)−OH Ba(OH)−OH (10.3) Group 3 Sc−CH3 Sc−C6H6
431.0 214.6 ±8.4 197.9 ±16.3 342.3 <200 359 356.2 ±4.2 373 469 476 441 349 253 205 184 174 289 201 180 409 407 443 116 ±29 60.8
Bond Dissociation Energies
9-68 Bond La(η -C5Me5)2−CH(SiMe3)2 Nd(η5-C5Me5)2−CH(SiMe3)2 (η5-C5Me5)2Sm−H (η5-C5Me5)2Sm−OCH3 (η5-C5Me5)2Sm−(η3-C3H5) (η5-C5Me5)2Sm−S-nC3H7 (η5-C5Me5)2Sm−N(CH3)2 (η5-C5Me5)2Sm−SiH(SiMe3)2 (η5-C5Me5)2Sm−P(Et)2 (η5-C5Me5)2Eu−I (η5-C5Me5)2Yb−I Lu(η5-C5Me5)2−CH(SiMe3)2 (η5-C5H4SiMe3)3Th−H (η5-C5H4SiMe3)3Th−O (η5-C5H5)3Th−CH3 (η5-C5H5)3Th−CH2Si(CH3)3 (C9H7)3Th−CH2C6H5 (η5-C5H4tBu)3U−H (η5-C5H4SiMe3)3U−H [HB(3,5-Me2Pz)3]U(Cl)2−Cl (η5-C5H4SiMe3)3U−I (η5-C5H4tBu)3U−O (η5-C5H4SiMe3)3U−CO (C9H7)3U−CH3 (η5-C5Me5)2U(Cl)−C6H5 (η5-C5H4SiMe3)3U−THF
Do298/kJ mol–1 278.7 ±10.5 236.8 ±10.5 226.8 ±12.6 343.1 188.3 ±6.3 295.4 ±10.0 201.7 ±7.5 179.9 ±21 136.4 ±8.4 238.9 ±8.4 256.1 ±6.3 279.1 ±10.5 277 ±6 371 ±24 375 ±9 369 ±12 342 ±9 249.7 ±5.7 253.7 ±5.1 422.6 265.6 ±4.3 307 ±9 43.1 ±0.8 196.3 ±6.6 358 ±11 41.0 ±0.8
(10.4) Group 4 Ti(η5-C5H5)2−Cl Ti(Cl)(η5-C5H5)2−Cl Ti(η5-C5Me5)2−I Ti(η5-C5H5)2−CO Ti(CO)(η5-C5H5)2−CO Ti−CH3 Ti(Cl)(η5-C5H5)2−CH3 Ti(Cl)((η5-C5H5)2−C6H5 Ti(C6H6)−C6H5 Zr(η5-C5Me5)2−H Zr(H)(η5-C5Me5)2−H Zr(η5-C5Me5)2−Cl Zr(η5-C5Me5)2−Br Zr(I)(η5-C5Me5)2−I Zr(η5-C5Me5)2(Ph)−OH Zr(η5-C5Me5)2(Ph)(OH)−OH Zr(η5-C5Me5)2(NH2)H−NH2 Zr(η5-C5Me5)3−CH3 Zr(η5-C5H5)2(C6H5)−C6H5 Zr(η5-C5H5)2(Si(SiMe3)3)−SiMe3 Hf(H)(η5-C5Me5)2−H Hf(η5-C5Me5)(C4H9)−C4H9
471 390 219 174 170 174 ±29 276 292 308.7 351.0 ±7.5 326.4 ±4 481.2 410.0 336.4 ±2.1 482.4 ±6.3 482.8 ±10.5 421.3 ±15.1 276 ±10 300 ±10 188 ±30 346.0 ±7.9 274 ±10
(10.5) Group 5 (η5-C5H5)(CO)3V−η2H2 (η5-C5H5)(CO)3V−CO V−CH3 V−C6H6
90 ±20 146 ±21 169 ±18 76.2
5
Bond
V(C6H6)−C6H6 Nb(η5-C5H5)2H3−TFE Ta(CH3)5−CH3 (Me3SiCH2)4Ta−(CH2SiMe3)
Do298/kJ mol–1 307.8 18.8 ±1.3 261 ±5 184.1 ±8.4
(10.6) Group 6 [Cr(CO)3(η5-C5Me5)]2−Hg [Cr(CO)3(η5-C5Me5)]−Hg Cr(CO)5−Xe (CO)2(PPh3)(η5-C5H5)Cr−H (η5-C5H5)Cr(CO)3−H, Cr(CO)5−H2 (P(C6H11)3)2(CO)3Cr−H2 (η6-C6H6)(CO)3Cr−H2 Cr(CO)5−N2 (P(C6H11)3)2(CO)3Cr−N2 (η5-C5Me5)(CO)3Cr−SH Cr(CO)5−CO Cr(CO)5−CH4 Cr−C6H6 Cr(C6H6)−C6H6 Cr(CO)5−C6H6 (P(C6H11)3)2(CO)3Cr−P(OMe3)3 (η5-C5H5))Mo(CO)3−H Mo(η5-C5H5)2−H Mo(H)(η5-C5H5)2−H Mo(CO)3(η5-C5H5)−I (η5-C5Me5)2Mo−O (P(C6H11)3)2(CO)3Mo−H2 (P(C6H11)3)2(CO)3Mo−N2 Mo(CO)5−CO Mo(CO)3 (η5-C5H5)−CH3 W(CO)5−Xe W(CO)3(η5-C5H5)−H W(H)(η5-C5H5)2−H W(I)(η5-C5H5)2−H (CO)5W−H2 (P(C6H11)3)(CO)3W−(η2-H2) W(CO)5−CO W(CH3)(η5-C5H5)2−CH3
61.5 111.3 37.7 ±3.8 250.2 ±4.2 257 78 ±4 30.5 ±0.4 251 ±17 81 ±4 38.9 ±0.8 193 154.0 ±8.4 ~33.5 ±8 9.6 ±5.8 268.2 ±15.4 57.3 ±3.3 68.6 ±2.5 290 246 256.9 ±8.4 216.7 ±4.2 272 27.2 ±0.8 37.7 ±2.5 169.5 ±8.4 203 ±8 35.1 ±0.8 303 310.9 ±4.2 273 ±14 ≥67 28.5 ±2.1 192.5 ±8.48.4 220.9 ±4
(10.7) Group 7 F3Mn−MnF3 (CO)5Mn−Mn(CO)5 (CO)5Mn−H (PPh3)Mn(CO)4−H MnBr(CO)4−CO (η5-C5H5)(CO)2Mn−CO Mn−CH3 Mn(CO)5−CH3 Mn(CO)5−C6H5 (CO)5Mn−Re(CO)5 (η5-C5H5)Mn(CO)2−PhMe (CO)5Tc−Tc(CO)5 (CO)5Re−Re(CO)5 (CO)5Re−H
210.9 ±2.5 185 ±8 284.5 286.2 184 195.8 ±9.2 >35 ±12 187.0 ±3.8 207 ±11 149 ±11 59.4 ±3.3 177.5 ±1.9 187 ±4.8 313
Bond
(CO)5Re−CH3
Do298/kJ mol–1 220 ±8
(10.8) Group 8 (CO)4Fe−Fe(CO)5 (CO)4Fe(H)x−H (η5-C5H5)(CO)2Fe−H Fe(CO)3(N2)−N2 Fe(C2H2)(CO)4−CO Fe(CO)2(PMe3)−CO Fe(CO)3(PPh3)−CO Fe−NH3 Fe−CH2 Fe−CH3 Fe(C2H4)(CO)3−C2H4 Fe−C3H5 Fe−C3H6 Fe(CO)5−Ni(CO)4 Fe(CO)5−(η3-C3H5) Fe(C3H6)(CO)3−C3H6 (CO2)(η5-C5H5)Ru−H (PMe3)2(η5-C5Me5)Ru−H (CO)2(η5-C5Me5)Ru−Cl (η5-C5Me5)(PMe3)2Ru−Cl (η5-C5Me5)(PMe3)2Ru−OH (CO)4Ru−CO (η5-C5Me5)(PMe3)2Ru−CH3 Os(H)(CO)4−H (CO)4Os−CO Os(C2H2)(CO)4−CO
171.5 259.4 ±8.4 239 37.7 ±19.2 88 ±2.3 >125 <177.8 ±5 31.4 ±4.2 364 ±29 135 ±29 89.1 ±8 218 79 37.7 176 ~79.5 272 167.4 337.6 <138 204.6 115 ±1.7 142.3 326.4 133 ±2.6 99.5 ±0.8
(10.9) Group 9 (CO)4Co−Co(CO)4 (CO)4Co−Mn(CO)5 (CO)4Co−Re(CO)5 Co(CO)4−H Co(CO)3)(PPh3)−H (CO)3HCo−CO (η5-C5H5)Co(CO)−CO Co−CH2 Co−CH3 cobalamin−CH3 cobinamide−iC4H9 Co−C bonds in B12 Cl(CO)2Rh−Rh(CO)2Cl HRh(m-xylyl)Rh−H (PiPr3)2(Cl)Rh−H2 (PiPr3)2(Cl)Rh−N2 (PiPr3)2(Cl)Rh−CO HRh(m-xylyl)Rh−CH2OH Ir(Cl)(CO)(PMe3)2−H Ir(H)(η5-C5Me5)(PMe3)−H Ir(Cl)(H)(CO)(PEt3)2−H Ir(Cl)(H)(CO)(PPh3)2−H (Cl)(CO)(PPh3)2Ir−H2 (Cl)(CO)(PPh3)2Ir−CO Ir(H)(η5-C5Me5)(PMe3)−C6H5
83 ±29 96 ±12 113 ±15 278 272 ~54 184.3 ±4.8 331 ±38 178 ±8 150.6 104 123.8 ±6.3 94.6 255.6 ±1.7 136.0 69.0 201.7 195.4 ±7.5 251 310.5 ±21 243.1 246.9 62.8 45.2 321