Phosphorus trichloride [Phosphorus(III) chloride; PCl3] by Asch

Query Query Cl

1. Query

Results

Date

8 substances in Reaxys

2017-10-13 07h:34m:22s (EST)

1 substances in Reaxys

2017-10-13 07h:50m:21s (EST)

Cl P Cl

Search as: As drawn, No salts, No mixtures, No isotopes, No charges, No radicals 2. Query

(1. Query) AND itemno in (1)

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2017-10-13 08:02:07

Reaxys ID 969177 View in Reaxys

1/1 CAS Registry Number: 7719-12-2; 52843-90-0 Chemical Name: phosphorus trichloride; phosphorus(III) chloride Linear Structure Formula: PCl3 Molecular Formula: Cl3P Molecular Weight: 137.333 InChI Key: FAIAAWCVCHQXDN-UHFFFAOYSA-N Note:

Substance Label (7) Label References 8

Li, Xinhai; Yuan, Ling; Wang, Qinggang; Liang, Longhui; Huang, Guilan; Li, Xiaosen; Zhang, Chunhong; Liu, Shilei; Liu, Jingquan; Tetrahedron Letters; vol. 58; nb. 15; (2017); p. 1437 - 1440, View in Reaxys

Park, Chung-Min; Zhao, Yu; Zhu, Zhaohui; Pacheco, Armando; Peng, Bo; Devarie-Baez, Nelmi O.; Bagdon, Powell; Zhang, Hui; Xian, Ming; Molecular BioSystems; vol. 9; nb. 10; (2013); p. 2430 - 2434, View in Reaxys; Troev; Todorov; Naydenova; Mitova; Vassilev; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 188; nb. 9; (2013); p. 1147 - 1155, View in Reaxys; Kolodiazhna, Olga O.; Kolodiazhnyi, Oleg I.; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 190; nb. 7; (2015); p. 1192 - 1200, View in Reaxys

VallA©e, M. Robert J.; Majkut, Paul; Krause, Dagmar; Gerrits, Michael; Hackenberger, Christian P. R.; Chemistry - A European Journal; vol. 21; nb. 3; (2015); p. 970 - 974, View in Reaxys

Gu, Lianghu; Gopakumar, Gopinadhanpillai; Gualco, Pauline; Thiel, Walter; Alcarazo, Manuel; Chemistry - A European Journal; vol. 20; nb. 28; (2014); p. 8575 - 8578, View in Reaxys

Gazizov; Khairullin; Karimova; Russian Journal of General Chemistry; vol. 83; nb. 12; (2013); p. 2281 2292; Zh. Obshch. Khim.; vol. 83; nb. 12; (2013); p. 1996 - 2007,12, View in Reaxys

P1-1

Patent; ALIOS BIOPHARMA, INC.; US2012/165286; (2012); (A1) English, View in Reaxys

PCl3

Kruczynski, Leonard J.; Lemire, Alberta E.; Marat, Kirk; Janzen, Alexander F.; Canadian Journal of Chemistry; vol. 68; nb. 3; (1990); p. 488 - 491, View in Reaxys

Patent-Specific Data (13) Prophetic ComLocation in Patent References pound Page/Page column

Patent; Petter, Russell C.; Jewell, Charles F.; Lee, Kwangho; Medikonda, Aravind Prasad; Niu, Deqiang; Qiao, Lixin; Singh, Juswinder; Zhu, Zhendong; US2011/269244; (2011); (A1) English, View in Reaxys; Patent; Odorisio, Paul; Andrews, Stephen M.; Thompson, Thomas F.; Wu, Si; Thanki, Paragkumar; Rane, Deepak M.; Joseph, Delina; Wang, Jianzhao; US2013/35451; (2013); (A1) English, View in Reaxys; Patent; Dow Technology Investments LLC; Diebolt, Oliver; Tricas, Hugo; Van Leeuwen, Petrus W.N.M.; Spinney, Heather Anne; Froese, Robert David John; Brammer, Michael A.; EP2740535; (2014); (A1) English, View in Reaxys; Patent; RESPIVERT LTD.; Taddei, David Michel Adrien; Onions, Stuart Thomas; Smith, Alun John; Copmans, Alex Herman; Broeckx, Rudy Laurent Maria; US2014/274980; (2014); (A1) English, View in Reaxys; Patent; Han, Tack Kyu; Jung, Min Seon; Shin, Dong Chul; Lee, Ho Seong; Chae, Sung Seok; Han, Jong Sok; US2015/45603; (2015); (A1) English, View in Reaxys; Patent; Kochi University; Kataoka, Masanori; US2015/210731; (2015); (A1) English, View in Reaxys

Page/Page column

Patent; ZHEJIANG UNIVERSITY; Ma, Shengming; Lv, Bo; Fu, Chunling; US2014/309422; (2014); (A1) English, View in Reaxys

Page/page column

Patent; INVISTA NORTH AMERICA S.A R.L.; AKI, Sudhir; TENN, William, J.; VOS, Thomas, E.; WO2013/181095; (2013); (A1) English, View in Reaxys Patent; Jo, Donghyun; Bae, Jongwook; Kim, Juyoul; Kim, Sung Won; Oh, Byungchul; Ha, Seung Back; US2006/129007; (2006); (A1) English, View in Reaxys Patent; PLIVA HRVATSKA D.O.O; MCLEISH, Nicholas, Alistair, Maxwell; WO2006/129056; (2006); (A2) English, View in Reaxys Patent; OXENO OLEFINCHEMIE GMBH; WO2005/63776; (2005); (A1) German, View in Reaxys Patent; OXENO OLEFINCHEMIE GMBH; WO2005/63781; (2005); (A1) German, View in Reaxys

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Patent; AVECIA LIMITED; WO2004/55030; (2004); (A1) English, View in Reaxys Patent; Ritter, Joachim C.; US2004/106815; (2004); (A1) English, View in Reaxys Patent; ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE; WO2004/85447; (2004); (A2) English, View in Reaxys Patent; Bayer Chemicals AG; EP1394168; (2004); (A1) German, View in Reaxys Patent; Rampf, Florian; Militzer, Hans-Christian; US2003/229240; (2003); (A1) English, View in Reaxys prophetic product

Patent; International Flavors and Fragrances Inc.; US4985402; (1991); (A1) English, View in Reaxys; Patent; Kureha Kagaku Kogyo Kabushiki Kaisha; US6339045; (2002); (B1) English, View in Reaxys

Druglikeness (1) 1 of 1

LogP

1.947

H Bond Donors

H Bond Acceptors

Rotatable Bonds

TPSA

13.59

Lipinski Number

Veber Number

Catalyst Investigation (1) 1 of 1

Investigated characteris- Catalytic activity tic(s) Singh, Thokchom Prasanta; Shunmugam, Raja; New Journal of Chemistry; vol. 40; nb. 4; (2016); p. 3024 - 3027, View in Reaxys

Purification (2) Purification (method)

References

purification described

Downs, J. J.; Johnson, R. E.; Journal of the American Chemical Society; vol. 77; (1955); p. 2098 - 2102, View in Reaxys; Goubeau, J.; Schulze, P.; Z. anorg. allg. Chem.; vol. 294; (1958); p. 224 - 232, View in Reaxys; Patent; Nelson, W. T.; Phillips Petroleum Co.; US2922753; (1960); C.; (1960); p. 17619 ; (from Gmelin), View in Reaxys

purification described

Bowden, S. T.; Morgan, A. R.; Philosophical Magazine (1798-1977); vol. 29; (1940); p. 367 - 378, View in Reaxys; vol. P: MVol.C; 180, page 414 - 416 ; (from Gmelin), View in Reaxys

Melting Point (8) 1 of 8

Melting Point [°C]

-91

Kafarov, V. V.; Dorokhov, I. N.; Vetokhin, V. N.; Volkov, L. P.; Doklady Physical Chemistry (Translation of the physical chemistry section of Doklady Akademii Nauk); vol. 314; (1990); p. 683 - 686; Doklady Akademii Nauk SSSR; vol. 314; (1990); p. 201 - 205 ; (from Gmelin), View in Reaxys 2 of 8

Melting Point [°C]

-89.84 - -89.82

Devyatykh, G. G.; Gusev, A. V.; Gibin, A. M.; Polozkov, S. A.; Russian Journal of Physical Chemistry; vol. 61; nb. 6; (1987); p. 772 - 773; Zhurnal Fizicheskoi Khimii; vol. 61; (1987); p. 1476 - 1479 ; (from Gmelin), View in Reaxys 3 of 8

Melting Point [°C]

76 - 78

Fialkov, Ya. A.; Kuz'menko, A. A.; Zh. obshch. Khim.; vol. 19; (1949); p. 1645 - 1652; C. A.; (1950); p. 1354, View in Reaxys; vol. P: MVol.C; 231, page 529 - 530 ; (from Gmelin), View in Reaxys 4 of 8

Melting Point [°C]

-93.6

Arii, K.; Kawabata, M.; Bull. Inst. phys. chem. Res.; vol. 17; (1938); p. 299 - 308, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 5 of 8

Melting Point [°C]

-92

vol. P: MVol.C; 181, page 416 - 418, View in Reaxys; Biltz, W.; Jeep, K.; Z. Anorg. Chem.; vol. 162; (1927); p. 32 48 ; (from Gmelin), View in Reaxys 6 of 8

Melting Point [°C]

-112

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Biltz, W.; Z. phys. Ch.; vol. 100; (1922); p. 55 - 55, View in Reaxys; Voigt, A.; Biltz, W.; Z. Anorg. Chem.; vol. 133; (1924); p. 290 - 290, View in Reaxys; vol. Cl: MVol.; 71, page 199 - 201, View in Reaxys; vol. Cl: MVol.; 73, page 203 - 204, View in Reaxys; Landolt; Boernstein; Physikalisch-Chemische Tabellen, editor: Roth, W. A., Scheel, K., V. Auflage. J. Springer, Berlin, S. 334 ; (from Gmelin), View in Reaxys 7 of 8

Melting Point [°C]

-95.1 - -90

Koerber, F.; Ann. Phys. (Leipzig) (4); vol. 37; (1912); p. 1014 - 1045, View in Reaxys; Koerber, F.; Nachr. Goettinger Ges.; (1912); p. 1 - 30, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 8 of 8

Melting Point [°C]

-111.8

Wroblewski, S. v.; Olszewski, K.; Ann. Phys. (Leipzig) (3); vol. 20; (1883); p. 243 - 257, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys Boiling Point (19) Boiling Point [°C] Pressure (Boiling Point) [Torr]

References

Patent; Dabdoub, Atif M.; US2006/9654; (2006); (A1) English, View in Reaxys

vol. P: MVol.C; 258, page 590 - 592, View in Reaxys; Patent; Cook, E. W.; American Cyanamid Co.; US2591782; (1952); C. A.; (1956); p. 8151, View in Reaxys; Patent; Cook, E. W.; American Cyanamid Co.; DE842640; (1952); C.; (1952); p. 7718, View in Reaxys; Patent; Edwards, S. P.; Johnson, O. H.; Reed, S. K.; Wilson, S. F.; Food Machinery & Chemical Corp.; US2802717; (1957); C. A.; (1957); p. 18507, View in Reaxys; Patent; Faschalek, J.; VEB Farbenfabrik Wolfen; DE10041; (1955); C.; (1957); p. 5967, View in Reaxys; Patent; Frehden, O.; Grant, E.; Ministry of Petroleum & Chemical Industry; DE1145589; (1963); C. A.; vol. 59; (1963); p. 245, View in Reaxys; Patent; Korkmas, G. F.; Lesslie, T. E.; Zerbe, R. O.; Monsanto Chemical Co.; US2850353; (1954); C. A.; (1959); p. 2557, View in Reaxys; Patent; Korkmas, G. F.; Seaton, W. H.; Monsanto Chemical Co.; US2850354; (1958); C. A.; (1959); p. 2557, View in Reaxys; Patent; anonymous; Omnium de Produits-Chimiques pour l'Industrie et l'Agriculture; FR1145928; (1957); C. A.; (1959); p. 22793, View in Reaxys; Kafarov, V. V.; Dorokhov, I. N.; Vetokhin, V. N.; Volkov, L. P.; Doklady Physical Chemistry (Translation of the physical chemistry section of Doklady Akademii Nauk); vol. 314; (1990); p. 683 - 686; Doklady Akademii Nauk SSSR; vol. 314; (1990); p. 201 - 205, View in Reaxys; Chen, Luyang; Luo, Tao; Huang, Mingxing; Gu, Yunle; Shi, Liang; Qian, Yitai; Solid State Communications; vol. 132; nb. 10; (2004); p. 667 - 671 ; (from Gmelin), View in Reaxys

75.34

Sladkov; Russian Journal of Applied Chemistry; vol. 73; nb. 9; (2000); p. 1511 - 1516 ; (from Gmelin), View in Reaxys

760

Watanabe, Makoto; Van Wazer, John R.; Bulletin of the Chemical Society of Japan; vol. 55; (1982); p. 2902 - 2905 ; (from Gmelin), View in Reaxys

73.51

Lorenzelli, V.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 253; (1961); p. 2052 - 2054, View in Reaxys; vol. P: MVol.C; 182, page 418 421, View in Reaxys; Lorenzelli, V.; Rend. Accad. naz. Lincei; vol. 31; (1961); p. 416 421 ; (from Gmelin), View in Reaxys

Anderson; Journal of the American Chemical Society; vol. 75; (1953); p. 1576, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys

75.7

758

Morgan, A. R.; Bowden, S. T.; Transactions of the Faraday Society; vol. 36; (1940); p. 394 - 397, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys

74.7

760

Arii, K.; Kawabata, M.; Bull. Inst. phys. chem. Res.; vol. 17; (1938); p. 299 - 308, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys

75.3

Butkow, K.; Zhurnal Fizicheskoi Khimii; vol. 7; (1936); p. 182 - 190, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys

75.5

749 - 751.5

Teodoreanu, I.; Bull. Sect. sci. Acad. Roum.; vol. 17; (1935); p. 38 - 40, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys

755 - 755.9

Teodoreanu, I.; Bull. Sect. sci. Acad. Roum.; vol. 17; (1935); p. 38 - 40, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys

762

Biltz, W.; Sapper, A.; Wuennenberg, E.; Z. Anorg. Chem.; vol. 203; (1932); p. 277 306, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys

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75.5

749

Milobedzki, T.; Friedman, M.; Chemik polski (Poln.); vol. 15; (1917); p. 76 - 79, View in Reaxys; Raeder, M. G.; Skr. Kgl. Norske Vidensk. Selskabs; nb. 3; (1929); p. 3 118 ; (from Gmelin), View in Reaxys

75.6

750

Milobedzki, T.; Friedman, M.; Chemik polski (Poln.); vol. 15; (1917); p. 76 - 79, View in Reaxys; Raeder, M. G.; Skr. Kgl. Norske Vidensk. Selskabs; nb. 3; (1929); p. 3 118, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys

76.6

759

vol. P: MVol.C; 181, page 416 - 418, View in Reaxys; Biltz, W.; Jeep, K.; Z. Anorg. Chem.; vol. 162; (1927); p. 32 - 48 ; (from Gmelin), View in Reaxys

75.25 - 75.35

Timmermans, J.; Bull. Soc. chim. Belg.; vol. 27; (1913); p. 334 - 343, View in Reaxys; Timmermans, J.; Bull. Soc. chim. Belg.; vol. 32; (1923); p. 299 - 306, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys

76.15 - 76.25

749

73.8

Jaeger, F. M.; Kahn, J.; Proc. Kon. nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 404, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys Regnault, V.; Fortschr. Phys.; (1862); p. 345 - 356, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418, View in Reaxys; Regnault, V.; Mem. Acad. Sci. (Paris); vol. 26; (1862); p. 335 - 760 ; (from Gmelin), View in Reaxys

Refractive Index (19) Refractive Index Wavelength (Refractive Index) [nm]

Temperature (Refractive Index) [°C]

Comment (Refractive Index)

References

1.5117

632.8

Liquid

Vul'fson, S. G.; Sarvarova, N. N.; Vereshagin, A. N.; Arbuzov, B. A.; Journal of General Chemistry USSR (English Translation); vol. 57; (1987); p. 1308 - 1312; Zhurnal Obshchei Khimii; vol. 57; (1987); p. 1467 - 1472 ; (from Gmelin), View in Reaxys

1.512

589.3

1.4605

589.3

1.5087

656.3

1.5122

Nisel'son, L. A.; Seryakov, G. V.; J. inorg. Chem. USSR; vol. 5; nb. I; (1960); p. 548 - 551; Zhurnal neorgan. Khim. (russ.); vol. 5; (1960); p. 1139 - 1145, View in Reaxys; vol. P: MVol.C; 279, page 639 - 642 ; (from Gmelin), View in Reaxys Liquid

Voigt, D.; Annales de Chimie (Cachan, France); vol. 4; (1949); p. 393 - 446, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

Liquid

Jones, W. J.; Davies, W. C.; Dycke, W. J. C.; Journal of Physical Chemistry; vol. 37; (1933); p. 583 - 596, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

589.3

Liquid

Jones, W. J.; Davies, W. C.; Dycke, W. J. C.; Journal of Physical Chemistry; vol. 37; (1933); p. 583 - 596, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

1.5235

486.1

Liquid

Jones, W. J.; Davies, W. C.; Dycke, W. J. C.; Journal of Physical Chemistry; vol. 37; (1933); p. 583 - 596, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

1.51215

589.3

Liquid

Smith, J. W.; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 136; (1932); p. 25 263, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

1.52

537

Liquid

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Martens, F. F.; Verh. Dtsch.

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Phys. Ges.; vol. 4; (1902); p. 138 - 166 ; (from Gmelin), View in Reaxys 1.524

508

Liquid

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Martens, F. F.; Verh. Dtsch. Phys. Ges.; vol. 4; (1902); p. 138 - 166 ; (from Gmelin), View in Reaxys

1.525

480

Liquid

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Martens, F. F.; Verh. Dtsch. Phys. Ges.; vol. 4; (1902); p. 138 - 166 ; (from Gmelin), View in Reaxys

1.529

467

Liquid

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Martens, F. F.; Verh. Dtsch. Phys. Ges.; vol. 4; (1902); p. 138 - 166 ; (from Gmelin), View in Reaxys

1.555

361

Liquid

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Martens, F. F.; Verh. Dtsch. Phys. Ges.; vol. 4; (1902); p. 138 - 166 ; (from Gmelin), View in Reaxys

1.561

346

Liquid

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Martens, F. F.; Verh. Dtsch. Phys. Ges.; vol. 4; (1902); p. 138 - 166 ; (from Gmelin), View in Reaxys

1.564

340

Liquid

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Martens, F. F.; Verh. Dtsch. Phys. Ges.; vol. 4; (1902); p. 138 - 166 ; (from Gmelin), View in Reaxys

1.573

325

Liquid

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Martens, F. F.; Verh. Dtsch. Phys. Ges.; vol. 4; (1902); p. 138 - 166 ; (from Gmelin), View in Reaxys

1.597

298

Liquid

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Martens, F. F.; Verh. Dtsch. Phys. Ges.; vol. 4; (1902); p. 138 - 166 ; (from Gmelin), View in Reaxys

1.61

288

Liquid

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Martens, F. F.; Verh. Dtsch. Phys. Ges.; vol. 4; (1902); p. 138 - 166 ; (from Gmelin), View in Reaxys

1.634

274

Liquid

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Martens, F. F.; Verh. Dtsch. Phys. Ges.; vol. 4; (1902); p. 138 - 166 ; (from Gmelin), View in Reaxys

1.666

263

Liquid

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Martens, F. F.; Verh. Dtsch. Phys. Ges.; vol. 4; (1902); p. 138 - 166 ; (from Gmelin), View in Reaxys

Density (44) 1 of 44

Comment (Density)

density equation; Liquid

Sladkov; Russian Journal of Applied Chemistry; vol. 73; nb. 9; (2000); p. 1511 - 1516 ; (from Gmelin), View in Reaxys 2 of 44

Density [g·cm-3]

1.437

Measurement Temperature [°C]

91.5

Comment (Density)

Liquid

Density [g·cm-3]

1.4679

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Measurement Temperature [°C]

77.3

Comment (Density)

Liquid

Density [g·cm-3]

1.4931

Measurement Temperature [°C]

62.5

Comment (Density)

Liquid

Density [g·cm-3]

1.5241

Measurement Temperature [°C]

46.7

Comment (Density)

Liquid

Density [g·cm-3]

1.5778

Measurement Temperature [°C]

Hauss, J.-L. de; Chim. Anal. (Paris); vol. 34; (1952); p. 248 - 249, View in Reaxys; vol. P: MVol.C; 181, page 416 418 ; (from Gmelin), View in Reaxys 7 of 44

Density [g·cm-3]

1.5567

Measurement Temperature [°C]

Weissler, A.; Journal of the American Chemical Society; vol. 71; (1949); p. 1272 - 1274, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 8 of 44

Density [g·cm-3]

1.585

Measurement Temperature [°C]

Voigt, D.; Annales de Chimie (Cachan, France); vol. 4; (1949); p. 393 - 446, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 9 of 44

Density [g·cm-3]

1.5008

Measurement Temperature [°C]

61.5

Vogel, A. I.; Journal of the Chemical Society; (1948); p. 1833 - 1855, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 10 of 44

Density [g·cm-3]

1.5332

Measurement Temperature [°C]

43.5

Vogel, A. I.; Journal of the Chemical Society; (1948); p. 1833 - 1855, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 11 of 44

Density [g·cm-3]

1.5761

Measurement Temperature [°C]

Vogel, A. I.; Journal of the Chemical Society; (1948); p. 1833 - 1855, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 12 of 44

Density [g·cm-3]

1.5181

7/52

2017-10-13 08:02:07

Measurement Temperature [°C]

Comment (Density)

Liquid

Bowden, S. T.; Morgan, A. R.; Philosophical Magazine (1798-1977); vol. 29; (1940); p. 367 - 378, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 13 of 44

Density [g·cm-3]

1.547

Measurement Temperature [°C]

Comment (Density)

Liquid

Bowden, S. T.; Morgan, A. R.; Philosophical Magazine (1798-1977); vol. 29; (1940); p. 367 - 378, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 14 of 44

Density [g·cm-3]

1.5659

Measurement Temperature [°C]

Comment (Density)

Liquid

Bowden, S. T.; Morgan, A. R.; Philosophical Magazine (1798-1977); vol. 29; (1940); p. 367 - 378, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 15 of 44

Density [g·cm-3]

1.5844

Measurement Temperature [°C]

Comment (Density)

Liquid

Bowden, S. T.; Morgan, A. R.; Philosophical Magazine (1798-1977); vol. 29; (1940); p. 367 - 378, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 16 of 44

Density [g·cm-3]

1.6114

Measurement Temperature [°C]

Comment (Density)

Liquid

Bowden, S. T.; Morgan, A. R.; Philosophical Magazine (1798-1977); vol. 29; (1940); p. 367 - 378, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 17 of 44

Density [g·cm-3]

1.5659

Measurement Temperature [°C]

Bowden, S. T.; Morgan, A. R.; Philosophical Magazine (1798-1977); vol. 29; (1940); p. 367 - 378, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 18 of 44

Density [g·cm-3]

1.5696

Measurement Temperature [°C]

Jones, W. J.; Davies, W. C.; Dycke, W. J. C.; Journal of Physical Chemistry; vol. 37; (1933); p. 583 - 596, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 19 of 44

Density [g·cm-3]

2.015

Measurement Temperature [°C]

-183

Comment (Density)

Solid

Biltz, W.; Sapper, A.; Wuennenberg, E.; Z. anorg. allg. Chem.; vol. 203; (1932); p. 277 - 306, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 20 of 44

Density [g·cm-3]

2.05

Measurement Temperature [°C]

Comment (Density)

extrapolated; Solid

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Biltz, W.; Sapper, A.; Wuennenberg, E.; Z. anorg. allg. Chem.; vol. 203; (1932); p. 277 - 306, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 21 of 44

Density [g·cm-3]

1.5

Measurement Temperature [°C]

59.7

Lowry, T. M.; Hofton, J.; Journal of the Chemical Society; (1932); p. 207 - 211, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 22 of 44

Density [g·cm-3]

1.5505

Measurement Temperature [°C]

33.2

Lowry, T. M.; Hofton, J.; Journal of the Chemical Society; (1932); p. 207 - 211, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 23 of 44

Density [g·cm-3]

1.576

Measurement Temperature [°C]

Rozentreter, R. G.; Zhurnal Obshchei Khimii; vol. 2; (1932); p. 878 - 879, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 24 of 44

Density [g·cm-3]

1.5792

Measurement Temperature [°C]

17.9

Lowry, T. M.; Hofton, J.; Journal of the Chemical Society; (1932); p. 207 - 211, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 25 of 44

Density [g·cm-3]

1.609

Measurement Temperature [°C]

Rozentreter, R. G.; Zhurnal Obshchei Khimii; vol. 2; (1932); p. 878 - 879, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 26 of 44

Density [g·cm-3]

1.579

Measurement Temperature [°C]

vol. P: MVol.C; 181, page 416 - 418, View in Reaxys; Smith, J. W.; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 136; (1932); p. 256 - 263 ; (from Gmelin), View in Reaxys 27 of 44

Comment (Density)

density equation

Balandin, A.; Z. phys. Chem.; vol. 116; (1925); p. 123 - 134, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 28 of 44

Density [g·cm-3]

1.6094

Measurement Temperature [°C]

Timmermans, J.; Bull. Soc. chim. Belg.; vol. 32; (1923); p. 299 - 306, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 29 of 44

Density [g·cm-3]

1.475

Measurement Temperature [°C]

75.1

Comment (Density)

Liquid

Jaeger, F. M.; Kahn, J.; Proc. Kon. nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 - 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis-en natuurk. Afd. Kon. nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 30 of 44

Density [g·cm-3]

1.492

Measurement Temperature [°C]

64.8

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Comment (Density)

Liquid

Density [g·cm-3]

1.518

Measurement Temperature [°C]

50.3

Comment (Density)

Liquid

Density [g·cm-3]

1.547

Measurement Temperature [°C]

35.2

Comment (Density)

Liquid

Density [g·cm-3]

1.574

Measurement Temperature [°C]

20.8

Comment (Density)

Liquid

Density [g·cm-3]

1.613

Measurement Temperature [°C]

Comment (Density)

Liquid

Density [g·cm-3]

1.653

Measurement Temperature [°C]

-20.5

Comment (Density)

Liquid

Density [g·cm-3]

1.744

Measurement Temperature [°C]

-70

Comment (Density)

Liquid

Density [g·cm-3]

1.574

Measurement Temperature [°C]

20.8

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Density [g·cm-3]

1.612

Measurement Temperature [°C]

Bridgman, P. W.; Proc. Am. Acad. Arts Sci.; vol. 49; (1913); p. 3 - 114, View in Reaxys; Buff, H. L.; Ann. Chem. Pharm. Suppl.; vol. 4; (1865); p. 129 - 164, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418, View in Reaxys; Buff, H. L.; Ann. Chem. Pharm. Suppl.; vol. 4; (1865); p. 129 - 164 ; (from Gmelin), View in Reaxys 39 of 44

Density [g·cm-3]

1.858

Measurement Temperature [°C]

-95.1

Comment (Density)

Solid

Koerber, F.; Ann. Phys. (Leipzig) (4); vol. 37; (1912); p. 1014 - 1045, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 40 of 44

Density [g·cm-3]

1.527

Measurement Temperature [°C]

46.2

Ramsay, W.; Shields, J.; Journal of the Chemical Society; vol. 63; (1893); p. 1089 - 1109, View in Reaxys; Ramsay, W.; Shields, J.; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 12; (1893); p. 433 - 475, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 41 of 44

Density [g·cm-3]

1.582

Measurement Temperature [°C]

16.4

Density [g·cm-3]

1.61275

Measurement Temperature [°C]

Thorpe, E.; Journal of the Chemical Society; vol. 37; (1880); p. 327 - 394, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys 43 of 44

Density [g·cm-3]

1.471

Measurement Temperature [°C]

Buff, H. L.; Ann. Chem. Pharm. Suppl.; vol. 4; (1865); p. 129 - 164, View in Reaxys; vol. P: MVol.C; 181, page 416 418, View in Reaxys; Buff, H. L.; Ann. Chem. Pharm. Suppl.; vol. 4; (1865); p. 129 - 164 ; (from Gmelin), View in Reaxys 44 of 44

Density [g·cm-3]

1.597

Measurement Temperature [°C]

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Cu(100)

Baba; Yoshii; Yamamoto; Sasaki; Wurth; Surface Science; vol. 377-379; (1997); p. 699 - 704 ; (from Gmelin), View in Reaxys 2 of 13

Description (Adsorption (MCS))

Adsorption

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Partner (Adsorption (MCS))

Ru(0001)

Tao; Diebold; Shinn; Madey; Surface Science; vol. 375; nb. 2-3; (1997); p. 257 - 267 ; (from Gmelin), View in Reaxys 3 of 13

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

Ru(0001)

Tao; Diebold; Shinn; Madey; Surface Science; vol. 312; nb. 3; (1994); p. 323 - 344 ; (from Gmelin), View in Reaxys 4 of 13

Partner (Adsorption (MCS))

polypyrrole films

Hanawa, Tetsuro; Yoneyama, Hiroshi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 6; (1989); p. 1710 1714 ; (from Gmelin), View in Reaxys 5 of 13

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Na0.01Fe1.79Si94.21O192*29H2O

Handreck, G. Paul; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases; vol. 85; nb. 10; (1989); p. 3195 - 3214 ; (from Gmelin), View in Reaxys 6 of 13

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram; sorption table

Partner (Adsorption (MCS))

dehydrated aerosil

Bogatyrev, V. M.; Chuiko, A. A.; Sov. Prog. Chem. (Engl. Transl.); vol. 50/8; (1984); p. 50 - 53; Ukrainskii Khimicheskii Zhurnal (Russian Edition); vol. 50; (1984); p. 831 - 835 ; (from Gmelin), View in Reaxys 7 of 13

Partner (Adsorption (MCS))

SiO2 layer on Si

Zaitsev, N. A.; Surovikov, M. V.; Inorganic Materials (Transl. of Neorg. Mater.); vol. 19; (1983); p. 1365 - 1367; Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy; vol. 19; (1983); p. 1546 - 1548 ; (from Gmelin), View in Reaxys 8 of 13

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

silicon

Deutsch, T. F.; Ehrlich, D. J.; Rathman, D. D.; Silversmith, D. J.; Osgood, R. M.; Applied Physics Letters; vol. 39; (1981); p. 825 - 827 ; (from Gmelin), View in Reaxys 9 of 13

Description (Adsorption (MCS))

Adsorption to title compound

Partner (Adsorption (MCS))

N2O4

vol. P: MVol.C; 184, page 424 - 427, View in Reaxys; Klement, R.; Wolf, K. H.; Z. anorg. allg. Chem.; vol. 282; (1955); p. 149 - 161 ; (from Gmelin), View in Reaxys 10 of 13

Description (Adsorption (MCS))

Adsorption to title compound

Partner (Adsorption (MCS))

HCl

Bowden, S. T.; Morgan, A. R.; Philosophical Magazine (1798-1977); vol. 29; (1940); p. 367 - 378, View in Reaxys; vol. P: MVol.C; 180, page 414 - 416 ; (from Gmelin), View in Reaxys

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11 of 13

Comment (Adsorption (MCS))

sorption equation

Partner (Adsorption (MCS))

coal

Arii, K.; Kawabata, M.; Takei, T.; Rikwagaku-Kenkyu-shi Iho; vol. 18; (1939); p. 356 - 357, View in Reaxys; vol. P: MVol.C; 183, page 421 - 424 ; (from Gmelin), View in Reaxys 12 of 13

Description (Adsorption (MCS))

Adsorption to title compound

Partner (Adsorption (MCS))

gaseous NH3

Besson, A.; C. r. Acad. Sci. (Paris); vol. 111; (1890); p. 972 - 974, View in Reaxys; Persoz, J.; Ann. Chim. Phys.; vol. 44; (1830); p. 315 - 325, View in Reaxys; vol. P: MVol.C; 184, page 424 - 427 ; (from Gmelin), View in Reaxys 13 of 13

Description (Adsorption (MCS))

Adsorption to title compound

Partner (Adsorption (MCS))

NH3

Besson, A.; C. r. Acad. Sci. (Paris); vol. 111; (1890); p. 972 - 974, View in Reaxys; vol. P: MVol.C; 188, page 433 434 ; (from Gmelin), View in Reaxys Azeotropes (MCS) (2) 1 of 2

Azeotropes

thionyl chloride

Azeotropes

sulfuryl dichloride

Helferich, B.; Zeitschrift fuer Naturforschung; vol. 1; (1946); p. 666 - 670, View in Reaxys; Bhagavantam, S.; Indian Journal of Physics (1926-1976); vol. 5; (1930); p. 73 - 95, View in Reaxys; Emeleus, H. J.; Miall, S.; Journal of the Society of Chemical Industry, London; vol. 56; (1937); p. 33 - 38, View in Reaxys; Sobhanadri, J.; Proceedings of the National Institute of Sciences of India, Part A: Physical Sciences; vol. 26; (1960); p. 110 - 114, View in Reaxys; Walsh, A. D.; Journal of the Chemical Society; (1953); p. 2301 - 2306, View in Reaxys; Wazer, J. R. van; Journal of the American Chemical Society; vol. 78; (1956); p. 5709 - 5715, View in Reaxys; Wilsdon, B. H.; Philosophical Magazine (1798-1977); vol. 49; (1925); p. 354 - 369, View in Reaxys; vol. P: MVol.C; 160, page 366 - 368 ; (from Gmelin), View in Reaxys

Critical Temperature (4) Critical Tempera- References ture [°C] 290.04

Sladkov; Russian Journal of Applied Chemistry; vol. 73; nb. 9; (2000); p. 1511 - 1516 ; (from Gmelin), View in Reaxys

290.5

Biltz, W.; Sapper, A.; Wuennenberg, E.; Z. anorg. allg. Chem.; vol. 203; (1932); p. 277 - 306, View in Reaxys; Ramsay, W.; Shields, J.; Journal of the Chemical Society; vol. 63; (1893); p. 1089 - 1109, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys

287.7

Morgan, J. L. R.; Daghlian, G. K.; Journal of the American Chemical Society; vol. 33; (1911); p. 672 - 684, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys

285.5

Pawlewski, B.; Ber.; vol. 16; (1883); p. 2633 - 2636, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys

Critical Volume (1) Critical Volume [l/ References mol] 0.26

Sladkov; Russian Journal of Applied Chemistry; vol. 73; nb. 9; (2000); p. 1511 - 1516 ; (from Gmelin), View in Reaxys

Crystal Phase (2)

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Description (Crys- References tal Phase) crystal energy

Nefedov, V. I.; Yarzhemsky, V. G.; Chuvaev, A. V.; Trishkina, E. M.; Journal of Electron Spectroscopy and Related Phenomena; vol. 46; (1988); p. 381 - 404 ; (from Gmelin), View in Reaxys

Crystal growth

Bonazzola, L.; Michaut, J. P.; Roncin, J.; Journal of Chemical Physics; vol. 75; nb. 10; (1981); p. 4829 4832, View in Reaxys; Clark, D.; Powell, H. M.; Wells, A. F.; Journal of the Chemical Society; (1942); p. 642 - 645, View in Reaxys; vol. P: MVol.C; 179, page 412 - 414 ; (from Gmelin), View in Reaxys

Crystal Property Description (5) Colour & Other Point group Properties

Comment (Crystal References Property Description)

C3v

Clotet, A.; Rubio, J.; Illas, F.; Journal of Molecular Structure; vol. 164; (1988); p. 351 - 362, View in Reaxys; Helferich, B.; Zeitschrift fuer Naturforschung; vol. 1; (1946); p. 666 - 670, View in Reaxys; Bhagavantam, S.; Indian Journal of Physics (1926-1976); vol. 5; (1930); p. 73 - 95, View in Reaxys; vol. P: MVol.C; 160, page 366 368 ; (from Gmelin), View in Reaxys

colourless

BrCH2CO2H

Puri,J. K.; Kaur, Jaswinder; Sharma, Vijay; Miller, Jack M.; Polyhedron; vol. 2; (1983); p. 1287 - 1296 ; (from Gmelin), View in Reaxys

colourless

CHCl2COOH

Malhotra, K. C.; Sud, R. G.; Mahajan, R. K.; Chaudhry, S. C.; Mehrotra, Geeta; Journal of the Indian Chemical Society; vol. 58; (1981); p. 143 - 148 ; (from Gmelin), View in Reaxys

colorless

liquid HCl

Waddington, T. C.; Klanberg, D.; Journal of the Chemical Society; (1960); p. 2329 - 2332, View in Reaxys; vol. Cl: SVol.B1; 102, page 295 - 298 ; (from Gmelin), View in Reaxys

colorless

SO2

Jander, G.; Wendt, H.; Hecht, H.; Ber. dtsch. chem. Ges.; vol. 77/79; (1944); p. 698 - 704, View in Reaxys; vol. P: MVol.C; 187, page 431 - 433 ; (from Gmelin), View in Reaxys

Dielectric Constant (7) Dielectric ConFrequency (Diestant lectric Constant) [Hz]

Temperature (Die- References lectric Constant) [°C]

3.139

1.2E+06

59.7

Lowry, T. M.; Hofton, J.; Journal of the Chemical Society; (1932); p. 207 - 211, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

3.346

1.2E+06

33.2

Lowry, T. M.; Hofton, J.; Journal of the Chemical Society; (1932); p. 207 - 211, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

3.49

1.2E+06

17.9

Lowry, T. M.; Hofton, J.; Journal of the Chemical Society; (1932); p. 207 - 211, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

3.498

1.2E+06

16.9

Lowry, T. M.; Hofton, J.; Journal of the Chemical Society; (1932); p. 207 - 211, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

4.7

Walden, P.; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 70; (1910); p. 569 - 619, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

3.36

Schlundt, H.; Journal of Physical Chemistry; vol. 5; (1900); p. 503 526, View in Reaxys; Schlundt, H.; Journal of Physical Chemistry; vol. 8; (1904); p. 122 - 130, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

3.72

Dissociation Energy (1) Comment (Disso- References ciation Energy)

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information on dissociation energy

Hartley, S. B.; Holmes, W. S.; Jacques, J. K.; Mole, M. F.; McCoubrey, J. C.; Quarterly Reviews, Chemical Society; vol. 17; (1963); p. 204 - 223, View in Reaxys; Jan-Khan, M.; Samuel, R.; Proceedings of the Physical Society, London; vol. 48; (1936); p. 626 - 641, View in Reaxys; vol. P: MVol.C; 159, page 363 - 366, View in Reaxys; Mathur, B. P.; Rothe, Erhard W.; Tang, S. Y.; Reck, Gene P.; Journal of Chemical Physics; vol. 65; (1976); p. 565 - 569 ; (from Gmelin), View in Reaxys

Dynamic Viscosity (24) Dynamic Viscosi- Temperature (Dyty [P] namic Viscosity) [°C]

Comment (Dynamic Viscosity)

References

0.00453

Bowden, S. T.; Morgan, A. R.; Philosophical Magazine (1798-1977); vol. 29; (1940); p. 367 - 378, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

0.00479

Bowden, S. T.; Morgan, A. R.; Philosophical Magazine (1798-1977); vol. 29; (1940); p. 367 - 378, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

0.00501

Bowden, S. T.; Morgan, A. R.; Philosophical Magazine (1798-1977); vol. 29; (1940); p. 367 - 378, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

0.0056

Bowden, S. T.; Morgan, A. R.; Philosophical Magazine (1798-1977); vol. 29; (1940); p. 367 - 378, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

0.00656

Bowden, S. T.; Morgan, A. R.; Philosophical Magazine (1798-1977); vol. 29; (1940); p. 367 - 378, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

0.00508

Lihatcheva, A. I.; Loutchinski, G. P.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 33; (1936); p. 488 - 491, View in Reaxys; Luchinskij, G. P.; Lichacheva, A. I.; Zhurnal Fizicheskoi Khimii; vol. 7; (1936); p. 546 - 548, View in Reaxys; Luchinskij, G. P.; Zhurnal Obshchei Khimii; vol. 7; (1937); p. 2116 - 2127, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

0.00526

0.00548

0.00571

0.006

0.00636

Lihatcheva, A. I.; Loutchinski, G. P.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 33; (1936); p. 488 - 491, View in Reaxys; Luchinskij, G. P.; Lichacheva, A. I.; Zhurnal Fizi-

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cheskoi Khimii; vol. 7; (1936); p. 546 - 548, View in Reaxys; Luchinskij, G. P.; Zhurnal Obshchei Khimii; vol. 7; (1937); p. 2116 - 2127, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys 0.0069

0.00755

0.00874

-15

0.0010093

5000

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

0.0001047

300

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

0.0001749

500

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

0.0003256

1000

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

3.78E-05

100

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

0.0004456

1500

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

0.0005479

2000

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

6.99E-05

200

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

0.0007228

3000

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

0.0008741

4000

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

Electrical Moment (10) 1 of 10

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

0.8724 - 0.9504

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Method (Electrical Moment)

other methods

Davies, M.S.; Pierens, R.K.; Aroney, M.J.; Journal of Organometallic Chemistry; vol. 458; nb. 1-2; (1993); p. 141 146 ; (from Gmelin), View in Reaxys 2 of 10

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

0.94

Method (Electrical Moment)

Dielectric constant, permittivity

Linthoudt, J. P. van; Berghe, E. V. van den; Kelen, G. P. van der; Journal of Molecular Structure; vol. 67; (1980); p. 269 - 278 ; (from Gmelin), View in Reaxys 3 of 10

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

0.56

Method (Electrical Moment)

not given

Wilmshurst, J. K.; Journal of Physical Chemistry; vol. 62; (1958); p. 631 - 633, View in Reaxys; vol. P: MVol.C; 159, page 363 - 366 ; (from Gmelin), View in Reaxys 4 of 10

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

0.98

Method (Electrical Moment)

Dielectric constant, permittivity

Osipov, O. A.; Zhurnal Fizicheskoi Khimii; vol. 31; (1957); p. 1542 - 1546, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370 ; (from Gmelin), View in Reaxys 5 of 10

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

Method (Electrical Moment)

other methods

Suenaga, K.; Kotera, A.; J. chem. Soc. Japan, Pure Chem. Sect.; vol. 70; (1949); p. 116 - 118, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370 ; (from Gmelin), View in Reaxys 6 of 10

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

1 - 1.2

Method (Electrical Moment)

Dielectric constant, permittivity

Boettcher, C. J. F.; Recueil Trav. chim. Pays-Bas.; vol. 62; (1943); p. 119 - 133, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370 ; (from Gmelin), View in Reaxys 7 of 10

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

0.98

Method (Electrical Moment)

other methods

Malone, J. G.; Journal of Chemical Physics; vol. 1; (1933); p. 197 - 199, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370 ; (from Gmelin), View in Reaxys

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8 of 10

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

0.7

Method (Electrical Moment)

Dielectric constant, permittivity

Lowry, T. M.; Hofton, J.; Journal of the Chemical Society; (1932); p. 207 - 211, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370 ; (from Gmelin), View in Reaxys 9 of 10

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

0.9

Method (Electrical Moment)

Dielectric constant, permittivity

vol. P: MVol.C; 161, page 368 - 370, View in Reaxys; Smith, J. W.; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 136; (1932); p. 256 - 263 ; (from Gmelin), View in Reaxys 10 of 10

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

0.8

Method (Electrical Moment)

Dielectric constant, permittivity

Bergmann, E.; Engel, L.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 13; (1931); p. 232 - 246, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370, View in Reaxys; Bergmann, E.; Engel, L.; Phys. Z.; vol. 32; (1931); p. 507 - 509 ; (from Gmelin), View in Reaxys Electrochemical Behaviour (1) Description (Elec- References trochemical Behaviour) acid / base behaviour

Prochazka, Michal P.; Carlson, Rolf; Acta Chemica Scandinavica; vol. 43; nb. 7; (1989); p. 651 - 659 ; (from Gmelin), View in Reaxys

Electrochemical Characteristics (2) 1 of 2

Description (Electrochemical Characteristics)

cyclovoltammetry

Solvent (Electrochemical Characteristics)

further solvent(s)

Temperature (Electrochemical Characteristics) [°C]

24.84

Comment (Electrochem- transmitted electrons: -1; other electrode; potential diagram; 1-Bu-1-methylpyrrolidinium ical Characteristics) bis(trifluormethylsulfonyl)imide; -1.45 V Silvester, Debbie S.; Aldous, Leigh; Lagunas, M. Cristina; Hardacre, Christopher; Compton, Richard G.; Journal of Physical Chemistry B; vol. 110; nb. 43; (2006); p. 22035 - 22042 ; (from Gmelin), View in Reaxys 2 of 2

Description (Electrochemical Characteristics)

cyclovoltammetry

Solvent (Electrochemical Characteristics)

water

Temperature (Electrochemical Characteristics) [°C]

22.5

Comment (Electrochem- saturated calomel electrode (SCE); potential diagram; 5.6 M CaCl2 ical Characteristics)

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Rosamilia; Miller; Journal of the Electrochemical Society; vol. 135; nb. 5; (1988); p. 1118 - 1123 ; (from Gmelin), View in Reaxys Electrolytic Conductivity (2) 1 of 2

Electrolytic Conductivity [S·l/(cm·mol)]

9.9E-06

Solvent (Electrolytic Conductivity)

nitrobenzene

Kind of Conductivity

Molar conductivity

Comment (Electrolytic Conductivity)

0.01837 mol/l

Harris, G. S.; Payne, D. S.; Journal of the Chemical Society; (1956); p. 4613 - 4616, View in Reaxys; vol. P: MVol.C; 187, page 431 - 433 ; (from Gmelin), View in Reaxys 2 of 2

Electrolytic Conductivity [S·l/(cm·mol)]

8.9E-07

Solvent (Electrolytic Conductivity)

nitrobenzene

Kind of Conductivity

Molar conductivity

Comment (Electrolytic Conductivity)

dilution 2.481 l/mol

Finkelstein, W.; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 115; (1925); p. 303 - 329, View in Reaxys; vol. P: MVol.C; 187, page 431 - 433 ; (from Gmelin), View in Reaxys Electron Binding (1) Description (Elec- References tron Binding) Electronic states

Enthalpy of Formation (15) Enthalpy of ForTemperature (Enmation [Jmol-1] thalpy of Formation) [°C]

Comment (Enthalpy of Formation)

-319000

References

-311400

22 - 23

Liquid

vol. P: MVol.C; 180, page 414 - 416, View in Reaxys; Neale, E.; Williams, L. T. D.; Journal of the Chemical Society; (1954); p. 2156 2158 ; (from Gmelin), View in Reaxys

-332300

Liquid

Charney, I.; Skinner, H. A.; Journal of the Chemical Society; (1953); p. 450 - 452, View in Reaxys; vol. P: MVol.C; 180, page 414 - 416 ; (from Gmelin), View in Reaxys

-273300

Gaseous

Stevenson, D. P.; Yost, D. M.; Journal of Chemical Physics; vol. 9; (1941); p. 403 - 408, View in Reaxys; vol. P: MVol.C; 180, page 414 416 ; (from Gmelin), View in Reaxys

-260420

Gaseous

Yost, M.; Anderson, T. F.; Journal of Chemical Physics; vol. 2; (1934); p. 624 - 627, View in Reaxys; vol. P: MVol.C; 180, page 414 416 ; (from Gmelin), View in Reaxys

-264900

Liquid

Yost, M.; Anderson, T. F.; Journal of Chemical Physics; vol. 2; (1934); p. 624 - 627, View in Reaxys; vol. P: MVol.C; 180, page 414 416 ; (from Gmelin), View in Reaxys

-285790

Gaseous

Yost, M.; Anderson, T. F.; Journal of Chemical Physics; vol. 2; (1934); p. 624 - 627, View in Reaxys; vol. P: MVol.C; 180, page 414 416 ; (from Gmelin), View in Reaxys

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-317700

Liquid

Yost, M.; Anderson, T. F.; Journal of Chemical Physics; vol. 2; (1934); p. 624 - 627, View in Reaxys; vol. P: MVol.C; 180, page 414 416 ; (from Gmelin), View in Reaxys

315200

Liquid

vol. Cl: MVol.; 66, page 186 - 189, View in Reaxys; Berthelot, M.; Thermochimie. Gauthier-Villars, Paris 1897, Bd. 2, S. 141 ; (from Gmelin), View in Reaxys

320600

Liquid

vol. Cl: MVol.; 66, page 186 - 189, View in Reaxys; Berthelot, M.; Thermochimie. Gauthier-Villars, Paris 1897, Bd. 2, S. 141 ; (from Gmelin), View in Reaxys

-286370

Gaseous

vol. P: MVol.C; 180, page 414 - 416, View in Reaxys; Rossini, F. D.; et al.; Circ. Bur. Stand. Nr. 500 (1952) 78, View in Reaxys; Rossini, F. D.; et al.; Circ. Bur. Stand. Nr. 500 (1952) 848 ; (from Gmelin), View in Reaxys

-306460

Gaseous

-321900

Liquid

vol. P: MVol.C; 180, page 414 - 416, View in Reaxys; Bichowsky, F. R.; Rossini, F. D.; The Thermochemistry of the chemical Substances, New York 1936, S. 221, View in Reaxys; Bichowsky, F. R.; Rossini, F. D.; The Thermochemistry of the chemical Substances, New York 1936, S. 38 ; (from Gmelin), View in Reaxys

-339000

Liquid

-70000

Gaseous

Enthalpy of Fusion (1) Enthalpy of FuComment (Ension [Jmol-1] thalpy of Fusion) 7185 - 7215

-89.84 Deg C -89.82 Deg C

References Devyatykh, G. G.; Gusev, A. V.; Gibin, A. M.; Polozkov, S. A.; Russian Journal of Physical Chemistry; vol. 61; nb. 6; (1987); p. 772 - 773; Zhurnal Fizicheskoi Khimii; vol. 61; (1987); p. 1476 - 1479 ; (from Gmelin), View in Reaxys

Enthalpy of Vaporization (1) Enthalpy of VaReferences porization [Jmol-1] 29590

Andrews; Annalen der Physik (Weinheim, Germany); vol. 75; (1848); p. 501 - 501, View in Reaxys; vol. Cl: MVol.; 71, page 199 - 201 ; (from Gmelin), View in Reaxys

Further Information (13) Description (Fur- Additional Dether Information) scription

References

Behaviour as catalyst

Tamano, Michiko; Nakabayashi, Mikio; Koketsu, Jugo; Nippon Kagaku Kaishi (Journal of the Chemical Society of Japan); (1989); p. 891 - 894 ; (from Gmelin), View in Reaxys

Behaviour as catalyst

Gaines, Donald F.; Heppert, Joseph A.; Coons, Darrell E.; Jorgenson, Michael W.; Inorganic Chemistry; vol. 21; (1982); p. 3662 - 3665 ; (from Gmelin), View in Reaxys

Behaviour as catalyst

Patent; anonymous; Farbenfabriken Bayer A.-G.; FR2004346; (1969); C.A.; vol. 73; (1970); p. 16918 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Health protection

Weichardt, H.; Chemiker-Zeitung; vol. 81; (1957); p. 421 - 423 ; (from Gmelin), View in Reaxys

Health protection

SASSI; La Medicina del lavoro; vol. 43; nb. 8-9; (1952); p. 298 - 306 ; (from Gmelin), View in Reaxys Aten, A. H. W.; Z. phys. Ch.; vol. 54; (1906); p. 55 - 97 ; (from Gmelin), View in Reaxys

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Behaviour as catalyst

vol. C: MVol.D3; 6.2.4.1.2, page 185 - 187 ; (from Gmelin), View in Reaxys Health protection

vol. P: MVol.B; 1.6, page 92 - 95 ; (from Gmelin), View in Reaxys

Health protection

Lewin, L.; Gifte und Vergiftungen, 4. Aufl. des Lehrbuches der Toxikologie, Berlin 1929, p. 172. ; (from Gmelin), View in Reaxys

Health protection

Henderson, Y.; Haggard, H. W.; Noxious Gases, New York 1943, p. 134. ; (from Gmelin), View in Reaxys

Health protection

Ruest, E.; Ebert, A.; Unfaelle beim chemischen Arbeiten, 2. Ed. Zuerich 1948, p.106. ; (from Gmelin), View in Reaxys

Health protection

Sax, N. I.; Handbook of dangerous Materials, New York 1951, p. 311. ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

vol. S: MVol.B3; 117, page 1780 - 1783 ; (from Gmelin), View in Reaxys

Heat Capacity Cp (65) Heat Capacity Cp Temperature [Jmol-1K-1] (Heat Capacity Cp) [°C]

Comment (Heat Capacity Cp)

References

Cp equation; Gaseous

Stolevik, Reidar; Acta Chemica Scandinavica; vol. 43; nb. 8; (1989); p. 758 - 762 ; (from Gmelin), View in Reaxys

121.6

-83

Liquid

Devyatykh, G. G.; Gusev, A. V.; Gibin, A. M.; Polozkov, S. A.; Russian Journal of Physical Chemistry; vol. 61; nb. 6; (1987); p. 772 773; Zhurnal Fizicheskoi Khimii; vol. 61; (1987); p. 1476 - 1479 ; (from Gmelin), View in Reaxys

121.6

-89.83

Liquid

121.7

-63

Liquid

121.7

-73

Liquid

121.9

-53

Liquid

122.1

-43

Liquid

122.4

-33

Liquid

122.7

-23

Liquid

123

-13

Liquid

123.3

-3

Liquid

Devyatykh, G. G.; Gusev, A. V.; Gibin, A. M.; Polozkov, S. A.; Russian Journal of Physical Chemistry; vol. 61; nb. 6; (1987); p. 772 -

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773; Zhurnal Fizicheskoi Khimii; vol. 61; (1987); p. 1476 - 1479 ; (from Gmelin), View in Reaxys 123.4

Liquid

123.5

Liquid

17.8

-253

Solid

24.31

-248

Solid

29.6

-243

Solid

34.12

-238

Solid

37.87

-233

Solid

41.88

-228

Solid

44.84

-223

Solid

46.83

-218

Solid

49.06

-213

Solid

50.8

-210

Solid

53.8

-203

Solid

57.28

-193

Solid

60.89

-183

Solid

Devyatykh, G. G.; Gusev, A. V.; Gibin, A. M.; Polozkov, S. A.; Russian Journal of Physical Chemistry; vol. 61; nb. 6; (1987); p. 772 -

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773; Zhurnal Fizicheskoi Khimii; vol. 61; (1987); p. 1476 - 1479 ; (from Gmelin), View in Reaxys 64.5

-173

Solid

68.15

-163

Solid

71.52

-153

Solid

74.85

-143

Solid

77.55

-133

Solid

80.58

-123

Solid

83.92

-113

Solid

87.65

-103

Solid

91.4

-93

Solid

92.6

-89.83

Solid

Cp diagram; Solid Devyatykh, G. G.; Gusev, A. V.; Gibin, A. M.; Polozkov, S. A.; Russian Journal of Physical Chemistry; vol. 61; nb. 6; (1987); p. 772 773; Zhurnal Fizicheskoi Khimii; vol. 61; (1987); p. 1476 - 1479 ; (from Gmelin), View in Reaxys Cp diagram; Liquid

70.3

0.01

calculated; Gaseous

Lorenzelli, V.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 253; (1961); p. 2052 - 2054, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Lorenzelli, V.; Rend. Accad. naz. Lincei; vol. 31; (1961); p. 416 - 421 ; (from Gmelin), View in Reaxys

25.01

calculated; Gaseous

23/52

2017-10-13 08:02:07

74.5

73.51

calculated; Gaseous

76.2

127

calculated; Gaseous

78.7

227

calculated; Gaseous

79.9

327

calculated; Gaseous

80.8

427

calculated; Gaseous

81.2

527

calculated; Gaseous

81.6

627

calculated; Gaseous

727

calculated; Gaseous

Cp equation; Gaseous

Spencer, H. M.; Flannagan, G. M.; Journal of the American Chemical Society; vol. 64; (1942); p. 2511 - 2513, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

46.4536

-173

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

63.2454

-73

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

71.8537

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

76.2422

127

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

80.7031

427

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

81.9366

727

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

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82.6188

1227

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

82.8616

1727

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

82.9746

2227

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

83.0361

2727

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

83.0734

3227

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

83.0977

3727

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

83.1144

4227

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

83.1261

4727

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

83.1349

5227

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

83.1416

5727

calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

Interatomic Distances and Angles (5) Description Comment (Intera- References tomic Distances and Angles) Interatomic distances and angles

Empirical calcn. (phys. properties)

Ganguly; Journal of the American Chemical Society; vol. 117; nb. 6; (1995); p. 1777 1782, View in Reaxys; Huggins, M. L.; Journal of the American Chemical Society; vol. 75; (1953); p. 4126 - 4133, View in Reaxys; Brockway, L. O.; Jenkins, W. O.; Journal of the American Chemical Society; vol. 58; (1936); p. 2036 - 2044, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370, View in Reaxys; Schomaker, V.; Stevenson, D. P.; Journal of the American Chemical Society; vol. 63; (1941); p. 37 - 40 ; (from Gmelin), View in Reaxys

Interatomic distances and angles

X-ray Diffraction

Galy, Jean; Enjalbert, Renee; Journal of Solid State Chemistry; vol. 44; (1982); p. 1 23 ; (from Gmelin), View in Reaxys

Interatomic distances and angles

Microwave Spectroscopy

Galy, Jean; Enjalbert, Renee; Journal of Solid State Chemistry; vol. 44; (1982); p. 1 23 ; (from Gmelin), View in Reaxys

Interatomic distances and angles

Kisliuk, P.; Journal of Chemical Physics; vol. 22.; (1954); p. 86 - 92, View in Reaxys; Bergmann, E.; Engel, L.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 13; (1931); p. 232 - 246, View in Reaxys; Bergmann, E.; Engel, L.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 13; (1931); p. 247 - 267, View in Reaxys; Hedberg, K.; Iwasaki, M.; Journal of Chemical Physics; vol. 36; (1962); p. 589 - 594, View in Reaxys; Iwasak, M.; Hedberg, K.; Journal of Chemical Physics; vol. 36; (1962); p. 2961 - 2963, View in Reaxys; Kisliuk, P.; Townes, C. H.; Journal of Chemical Physics; vol. 18; (1950); p. 1109 - 1111, View in Reaxys; Yost, M.; Anderson, T. F.; Journal of Chemical Physics; vol. 2; (1934); p. 624 - 627, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370, View in Reaxys; Swingle, S. M.; Allen, P. W., Sutton, L. E., Acta cryst. (Copenhagen) 3 (1950) 46/72, View in Reaxys; Bergmann, E.; Engel, L.; Phys. Z.; vol. 32; (1931); p. 507 - 509, View in Reaxys; Yost, D. M.; Sherborne, J. E.; Journal of Chemical Physics; vol. 2; (1934); p. 125 - 127 ; (from Gmelin), View in Reaxys

25/52

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Interatomic distances and angles

Electron Diffraction

Brockway, L. O.; Wall, F. T.; Journal of the American Chemical Society; vol. 56; (1934); p. 2373 - 2379, View in Reaxys; Hassel, O.; Sandbo, A.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 41; (1938); p. 75 - 85, View in Reaxys; Wierl, R.; Ann. Phys. (Leipzig) (5); vol. 8; (1931); p. 521 - 564, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370, View in Reaxys; Pauling, L.; Brockway, L. O.; Journal of the American Chemical Society; vol. 57; (1935); p. 2684 - 2692 ; (from Gmelin), View in Reaxys

Ionization Potential (8) Ionization Poten- Method (Ionizatial [eV] tion Potential)

Comment (Ioniza- References tion Potential)

10.52

Photoelectron Spectroscopy

Vertical ionization

Zverev, V. V.; Bazhanova, Z. G.; Journal of General Chemistry USSR (English Translation); vol. 60; (1990); p. 1307 - 1313; Zhurnal Obshchei Khimii; vol. 60; (1990); p. 1461 - 1467 ; (from Gmelin), View in Reaxys

10.5

Photoelectron Spectroscopy

Vertical ionization; higher ionization potentials available

Elbel, Susanne; Blanck, Andreas; Walther, Horst; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 81; (1985); p. 869 - 880 ; (from Gmelin), View in Reaxys

10.52

Photoelectron Spectroscopy

Adiabatic ionization; higher ionization potentials available

Grodzicki, Michael; Walther, Horst; Elbel, Susanne; Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie; vol. 39; nb. 10; (1984); p. 1319 - 1330 ; (from Gmelin), View in Reaxys

higher ionization potentials available

10.2

11.8

10.52

Photoelectron Spectroscopy

Vertical ionization; Chattopadhyay, S.; Findley, G. L.; McGlynn, S. P.; Journal of Elechigher ionization tron Spectroscopy and Related Phenomena; vol. 24; (1981); p. 27 potentials availa- 36 ; (from Gmelin), View in Reaxys ble

10.54

Photoelectron Spectroscopy

Vertical ionization; Daamen, H.; Boxhoorn, G.; Oskam, A.; Inorganica Chimica Acta; higher ionization vol. 28; (1978); p. 263 - 270 ; (from Gmelin), View in Reaxys potentials available formation of ions described

Mathur, B. P.; Rothe, Erhard W.; Tang, S. Y.; Reck, Gene P.; Journal of Chemical Physics; vol. 65; (1976); p. 565 - 569 ; (from Gmelin), View in Reaxys

Magnetic Data (1) Description (Mag- References netic Data) Anisotropy of magnetic susceptibility

Vereschagin, A. N.; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 51/52; (1990); p. 717 ; (from Gmelin), View in Reaxys

Magnetic Susceptibility (4) Magnetic SusComment (Magceptibility netic Susceptibili[10-6cm3mol-1] ty) -63.4

References

Pascal, P.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 218; (1944); p. 57 - 59 ; (from Gmelin), View in Reaxys

-69.7

calculated

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Pascal, P.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 218; (1944); p. 57 - 59 ; (from Gmelin), View in Reaxys

-63.4

calculated

Pascal, P.; Bull. Soc. chim. France (4); vol. 11; (1912); p. 201 - 206, View in Reaxys; Pascal, P.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 152; (1911); p. 862 - 865, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Kido, K.; Sci. Rep. Tohoku Univ. I; vol. 21; (1932); p. 869 - 881 ; (from Gmelin), View in Reaxys

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-66

Mechanical Properties (3) Description (MeComment (Mechanical Properchanical Properties) ties) Molar volume Molar volume

References

Shulyndin; Inorganic Materials; vol. 41; nb. 6; (2005); p. 666 - 672 ; (from Gmelin), View in Reaxys Liquid

Compressibility

Astakhova, G. V.; Bokareva, E. I.; Mironova, E. B.; Nisel'son, L. A.; Russian Journal of Inorganic Chemistry (Translation of Zhurnal Neorganicheskoi Khimii); vol. 22; (1977); p. 113 - 116; Zhurnal Neorganicheskoi Khimii; vol. 22; (1977); p. 206 - 210 ; (from Gmelin), View in Reaxys Bridgman, P. W.; Proc. Am. Acad. Arts Sci.; vol. 49; (1913); p. 3 - 114, View in Reaxys; Matorin, P. V.; Nauchn. Dokl. vysshej Shkoly, Fiz.-mat. Nauki; nb. 3; (1958); p. 191 - 191, View in Reaxys; Matorin, P. V.; Nauchn. Dokl. vysshej Shkoly, Fiz.-mat. Nauki; nb. 3; (1958); p. 196 - 202, View in Reaxys; Schofield, R. K.; Philosophical Magazine (1798-1977); vol. 5; (1928); p. 1171 - 1176, View in Reaxys; Weissler, A.; Journal of the American Chemical Society; vol. 71; (1949); p. 1272 - 1274, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Amagat, E.-H.; Ann. Chim. Phys.; vol. 29; (1893); p. 505 - 574 ; (from Gmelin), View in Reaxys

Molecular Deformation (2) Description (MoReferences lecular Deformation) Force constants

Edwards, H. G. M.; Journal of Molecular Structure; vol. 156; (1987); p. 137 - 142, View in Reaxys; BlighSmith, R. M.; Edwards, H. G. M.; Journal of Molecular Structure; vol. 160; (1987); p. 135 - 142, View in Reaxys; Filgueira, R. R.; Blom, C. E.; Mueller, A.; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 36; (1980); p. 745 - 750, View in Reaxys; Ohwada, Ken; Suzuki, Kazuya; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 50; nb. 6; (1994); p. 1057 1064, View in Reaxys; Burkard, O.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 30; (1935); p. 298 - 304, View in Reaxys; Davis, P. W.; Oetjen, R. A.; J. mol. Spectroscopy; vol. 2; (1958); p. 253 - 258, View in Reaxys; Doyennette, L.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 58; (1961); p. 487 - 494, View in Reaxys; Iwasaki, M.; Hedberg, K.; Journal of Chemical Physics; vol. 36; (1962); p. 594 - 598, View in Reaxys; Iwasaki, M.; Hedberg, K.; Nagoya Kogyo Gijutsu Shikenso Hokoku (japan.); vol. 11; (1962); p. 233 - 237, View in Reaxys; Lorenzelli, V.; C. r. Acad. Sci. (Paris); vol. 252; (1961); p. 3219 - 3220, View in Reaxys; Venkateswarlu, K.; Sundaram, S.; Proc. Phys. Soc., London, Sect. A; vol. 69; (1956); p. 180 - 183, View in Reaxys; vol. P: MVol.C; 162, page 370 - 372, View in Reaxys; Herzberg, G.; Infrared and Raman spectra of polyatomic molecules, New York-Toronto-London 1945, S. 177, View in Reaxys; Howard, J. B.; Wilson, E. B.; Journal of Chemical Physics; vol. 2; (1934); p. 630 - 634, View in Reaxys; Kuznetsov, S. L.; Tsivadze, A. Yu.; Kharitonov, Yu. Ya.; Russian Journal of Inorganic Chemistry (Translation of Zhurnal Neorganicheskoi Khimii); vol. 31; (1986); p. 344 - 348; Zhurnal Neorganicheskoi Khimii; vol. 31; (1986); p. 605 - 610 ; (from Gmelin), View in Reaxys

Fundamental vibrations

O'Loane; Journal of Chemical Physics; vol. 21; (1953); p. 669,671,673, View in Reaxys; Bligh-Smith, R. M.; Edwards, H. G. M.; Journal of Molecular Structure; vol. 160; (1987); p. 135 - 142, View in Reaxys; Francois, F.; Delwaulle, M. L.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 46; (1949); p. 80 86, View in Reaxys; Bakken, J.; Acta chem. scand. (engl.); vol. 12; (1958); p. 594 - 594, View in Reaxys; Bhagavantam, S.; Indian Journal of Physics (1926-1976); vol. 5; (1930); p. 35 - 48, View in Reaxys; Brodskii, A. E.; Sack, A. M.; Kortchagin, L. V.; Proceedings - Indian Academy of Sciences, Section A; vol. 9; (1939); p. 105 - 108, View in Reaxys; Brodskij, A. I.; Korchagin, L. V.; Zhurnal Fizicheskoi Khimii; vol. 10; (1937); p. 868 - 871, View in Reaxys; Cabannes, J.; Rousset, A.; Ann. Phys. (Paris) (10); vol. 19; (1933); p. 229 - 303, View in Reaxys; Cabannes, J.; Rousset, A.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 194; (1932); p. 79 - 81, View in Reaxys; Daure, P.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 187; (1928); p. 940 - 941, View in Reaxys; Davis, P. W.; Oetjen, R. A.; J. molec. Spectroscopy; vol. 2; (1958); p. 253 - 258, View in Reaxys; Delwaulle, M.-L.; Bridoux, M.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 248; (1959); p. 1342 - 1344, View in Reaxys; Delwaulle, M.-L.; Francois, F.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 223; (1946); p. 796 - 798, View in Reaxys; Delwaulle, M.-L.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 222; (1946); p. 1391 - 1392, View in Reaxys; Delwaulle, M.-L.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 224; (1947); p. 389 - 391, View in Reaxys; Duncan, A. B. F.; Journal of Chemical Physics; vol. 3; (1935); p. 384 - 385, View in Reaxys; Guilotto, L.; Nuovo Cimento; vol. 18; (1941); p. 367 - 370, View in Reaxys; Hariharan, T. A.; Indian Journal of Physics (1926-1976); vol. 35; (1961); p. 637 - 639, View in Reaxys; Hedberg, K.; Iwasaki, M.; Journal of Chemical Physics; vol. 36; (1962); p. 589 - 594,

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View in Reaxys; Korchagin, L. V.; Mem. Inst. Chem. Acad. Sci. UkrSSR (dtsch.); vol. 8; (1938); p. 185 - 186, View in Reaxys; Korchagin, L. V.; Mem. Inst. Chem. Acad. Sci. UkrSSR (russ.); vol. 8; (1938); p. 183 - 184, View in Reaxys; Korchagin, L. V.; Mem. Inst. Chem. Acad. Sci. UkrSSR (ukrain.); vol. 8; (1938); p. 159 183, View in Reaxys; Lorenzelli, V.; Moeller, K. D.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 248; (1959); p. 1980 - 1982, View in Reaxys; Nisi, H.; Jpn. J. Phys.; vol. 6; (1930); p. 1 T - 15 T, View in Reaxys; Theimer, O.; Acta phys. austriaca (dtsch.); vol. 1; (1947); p. 188 - 199, View in Reaxys; Venkatesvaran, S.; Philosophical Magazine (1798-1977); vol. 15; (1933); p. 263 - 282, View in Reaxys; Venkateswaran, S.; Indian Journal of Physics (1926-1976); vol. 6; (1931); p. 275 - 285, View in Reaxys; vol. P: MVol.C; 163, page 372 - 375, View in Reaxys; Bhagavantam, S.; Indian Journal of Physics (1926-1976); vol. 5; (1930); p. 59 - 71, View in Reaxys; Brodsky, A. E.; Kortschagin, L. W.; Acta Physicochimica URSS; vol. 7; (1937); p. 791 - 796, View in Reaxys; Trumpy, B.; Zeitschrift fuer Physik; vol. 68; (1931); p. 675 - 682, View in Reaxys; Daure, P.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 187; (1928); p. 826 - 828, View in Reaxys; Daure, P.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 188; (1929); p. 1605 - 1606, View in Reaxys; Daure, P.; Ann. Phys. (Paris) (10); vol. 12; (1929); p. 375 - 441 ; (from Gmelin), View in Reaxys Optics (2) Description (Optics)

References

Electrooptical effect

Davies, M.S.; Pierens, R.K.; Aroney, M.J.; Journal of Organometallic Chemistry; vol. 458; nb. 1-2; (1993); p. 141 - 146 ; (from Gmelin), View in Reaxys

Magnetooptical effect

Voigt, D.; Annales de Chimie (Cachan, France); vol. 4; (1949); p. 393 - 446, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Vul'fson, S. G.; Sarvarova, N. N.; Vereshagin, A. N.; Arbuzov, B. A.; Journal of General Chemistry USSR (English Translation); vol. 57; (1987); p. 1308 - 1312; Zhurnal Obshchei Khimii; vol. 57; (1987); p. 1467 - 1472 ; (from Gmelin), View in Reaxys

Other Thermochemical Data (30) Description (Oth- Comment (Other er Thermochemi- Thermochemical cal Data) Data)

References

Entropy of vapori- molar entropy of Stoelevik, Reidar; Acta Chemica Scandinavica; vol. 43; nb. 9; (1989); p. 860 - 867 ; zation vaporization = 88 (from Gmelin), View in Reaxys J/(mol*K); 75 Deg C Entropy of fusion

molar entropy of melting = 39.3 J/ (mol*K); -89.84 Deg C - -89.82 Deg C

Entropy

entropy of formation = 305.1 J/ (mol*K); 0.01 Deg C; Gaseous

Entropy

entropy of formation = 311.4 J/ (mol*K); 25.01 Deg C; Gaseous

Entropy

entropy of formation = 322.7 J/ (mol*K); 73.51 Deg C; Gaseous

Entropy

entropy of formation = 333.2 J/ (mol*K); 127 Deg C; Gaseous

Entropy

entropy of formation = 350.7 J/ (mol*K); 227 Deg C; Gaseous

Entropy

entropy of formation = 365 J/ (mol*K); 327 Deg C; Gaseous

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Entropy

entropy of formation = 377.5 J/ (mol*K); 427 Deg C; Gaseous

Entropy

entropy of formation = 388.4 J/ (mol*K); 527 Deg C; Gaseous

Entropy

entropy of formation = 398 J/ (mol*K); 627 Deg C; Gaseous

Entropy

entropy of formation = 406.4 J/ (mol*K); 727 Deg C; Gaseous

Gibbs free energy available as equation; Gaseous

vol. P: MVol.C; 180, page 414 - 416, View in Reaxys; Villa, H.; J. Soc. chem. Ind. Suppl.; vol. 69; (1950); p. 9 - 18 ; (from Gmelin), View in Reaxys

Entropy

available as equation; Gaseous

Spencer, H. M.; Flannagan, G. M.; Journal of the American Chemical Society; vol. 64; (1942); p. 2511 - 2513, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

Entropy

entropy of forma- vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehtion = 246.921 J/ lers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys (mol*K); -173 Deg C; Gaseous

Entropy

entropy of formation = 284.774 J/ (mol*K); -73 Deg C; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

Entropy

entropy of formation = 311.836 J/ (mol*K); 25 Deg C; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

Entropy

entropy of formation = 333.638 J/ (mol*K); 127 Deg C; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

Entropy

entropy of formation = 377.745 J/ (mol*K); 427 Deg C; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

Entropy

entropy of formation = 406.774 J/ (mol*K); 727 Deg C; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

Entropy

entropy of formation = 440.153 J/ (mol*K); 1227 Deg C; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

Entropy

entropy of formation = 463.959 J/ (mol*K); 1727 Deg C; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

Entropy

entropy of formation = 482.463 J/ (mol*K); 2227 Deg C; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

Entropy

entropy of formation = 497.596 J/

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

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(mol*K); 2727 Deg C; Gaseous Entropy

entropy of formation = 510.399 J/ (mol*K); 3227 Deg C; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

Entropy

entropy of formation = 521.495 J/ (mol*K); 3727 Deg C; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

Entropy

entropy of formation = 531.283 J/ (mol*K); 4227 Deg C; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

Entropy

entropy of formation = 540.04 J/ (mol*K); 4727 Deg C; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

Entropy

entropy of formation = 547.964 J/ (mol*K); 5227 Deg C; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

Entropy

entropy of formation = 555.198 J/ (mol*K); 5727 Deg C; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA SP-3001 (1963) 259 ; (from Gmelin), View in Reaxys

Solubility (MCS) (17) 1 of 17

Comment (Solubility (MCS))

sol. in CH2BrCO2H

Puri,J. K.; Kaur, Jaswinder; Sharma, Vijay; Miller, Jack M.; Polyhedron; vol. 2; (1983); p. 1287 - 1296 ; (from Gmelin), View in Reaxys 2 of 17

Comment (Solubility (MCS))

miscible with CHCl2COOH

Malhotra, K. C.; Sud, R. G.; Mahajan, R. K.; Chaudhry, S. C.; Mehrotra, Geeta; Journal of the Indian Chemical Society; vol. 58; (1981); p. 143 - 148 ; (from Gmelin), View in Reaxys 3 of 17

Comment (Solubility (MCS))

readily soluble in liquid HCl;

Waddington, T. C.; Klanberg, D.; Journal of the Chemical Society; (1960); p. 2329 - 2332, View in Reaxys; vol. Cl: SVol.B1; 102, page 295 - 298 ; (from Gmelin), View in Reaxys 4 of 17

Comment (Solubility (MCS))

readily sol. in liquid HCl;

Waddington, T. C.; Klanberg, D.; Journal of the Chemical Society; (1960); p. 2329 - 2332, View in Reaxys; vol. P: MVol.C; 187, page 431 - 433 ; (from Gmelin), View in Reaxys 5 of 17

Comment (Solubility (MCS))

readily sol. in SnCl4;

Spandau, H.; Hattwig, H.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 25; (1900); p. 209 - 226, View in Reaxys; Spandau, H.; Hattwig, H.; Z. anorg. allg. Chem.; vol. 295; (1958); p. 281 - 290, View in Reaxys; vol. P: MVol.C; 187, page 431 - 433, View in Reaxys; vol. Sn: MVol.C1; 6.9.7.7, page 311 - 312 ; (from Gmelin), View in Reaxys 6 of 17

Comment (Solubility (MCS))

sol. in benzoyl chloride;

Gutmann, V.; Tannenberg, H.; Monatshefte fuer Chemie; vol. 88; (1957); p. 216 - 227, View in Reaxys; vol. P: MVol.C; 187, page 431 - 433 ; (from Gmelin), View in Reaxys 7 of 17

Comment (Solubility (MCS))

soluble in ClCN

Woolf, A. A.; Journal of the Chemical Society; (1954); p. 252 - 265, View in Reaxys; vol. C: MVol.D3; 6.2.4.7.7.7, page 213 - 214 ; (from Gmelin), View in Reaxys

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8 of 17

Comment (Solubility (MCS))

readily sol. in SO2Cl2;

Gutman, V.; Monatshefte fuer Chemie; vol. 85; (1954); p. 393 - 403, View in Reaxys; vol. P: MVol.C; 187, page 431 - 433 ; (from Gmelin), View in Reaxys 9 of 17

Comment (Solubility (MCS))

miscible with liquid CO2 at ambient temperatures;

Francis, A. W.; Journal of Physical Chemistry; vol. 58; (1954); p. 1099 - 1114, View in Reaxys; vol. C: MVol.C1; 198, page 505 - 508 ; (from Gmelin), View in Reaxys 10 of 17

Comment (Solubility (MCS))

readily sol. in SOCl2;

Spandau, H.; Brunneck, E.; Z. anorg. allg. Chem.; vol. 270; (1952); p. 201 - 204, View in Reaxys; vol. P: MVol.C; 187, page 431 - 433 ; (from Gmelin), View in Reaxys 11 of 17

Comment (Solubility (MCS))

sol. in POCl3;

Gutmann, V.; Z. Anorg. Chem.; vol. 269; (1952); p. 279 - 291, View in Reaxys; vol. P: MVol.C; 207, page 475 478 ; (from Gmelin), View in Reaxys 12 of 17

Comment (Solubility (MCS))

sol. in SO2;

Jander, G.; Wendt, H.; Hecht, H.; Ber.; vol. 77/79; (1944); p. 698 - 704, View in Reaxys; Satenshtein, A. I.; Viktorov, M. M.; Acta physicokhim. URSS; vol. 7; (1937); p. 883 - 898, View in Reaxys; Walden, P.; Centnerszwer, A.; Teletow, I.; Z. phys. Ch.; vol. 43; (1903); p. 385 - 464, View in Reaxys; vol. S: MVol.B1; 143, page 310 - 315, View in Reaxys; Michaelis, A.; Jena. Z. Med. Naturwiss.; vol. 6; (1871); p. 239 - 241 ; (from Gmelin), View in Reaxys 13 of 17

Comment (Solubility (MCS))

sol. in Fe(CO)5;

Harrington, M. T.; Iowa State College Journal of Science; vol. 17; (1942); p. 74 - 76; C. A.; (1943); p. 3220, View in Reaxys; vol. P: MVol.C; 187, page 431 - 433 ; (from Gmelin), View in Reaxys 14 of 17

Comment (Solubility (MCS))

sol. in liq. H2S;

Biltz, W.; Keunecke; Z. Anorg. Chem.; vol. 147; (1925); p. 171 - 171, View in Reaxys; vol. Cl: MVol.; 80, page 222 223 ; (from Gmelin), View in Reaxys 15 of 17

Comment (Solubility (MCS))

readily sol. in POCl5;

Oddo, G.; Tealdi, M.; Gazzetta Chimica Italiana; vol. 33; nb. II; (1903); p. 427 - 449, View in Reaxys; vol. P: MVol.C; 207, page 475 - 478 ; (from Gmelin), View in Reaxys 16 of 17

Comment (Solubility (MCS))

soluble in Fe(CO)5;

Kahlenberg, L.; Schlundt, H.; Journal of Physical Chemistry; vol. 6; (1901); p. 447 - 462, View in Reaxys; vol. As: MVol.; 146, page 384 - 386 ; (from Gmelin), View in Reaxys 17 of 17

Comment (Solubility (MCS))

sol. in chloroform;

Koehler, H.; Ber. dtsch. chem. Ges.; vol. 13; (1880); p. 875 - 877, View in Reaxys; vol. P: MVol.C; 187, page 431 433 ; (from Gmelin), View in Reaxys Surface Tension (15) Surface Tension Temperature [g·s-2] (Surface Tension) [°C]

References

23.52

60.3

Vogel, A. I.; Journal of the Chemical Society; (1948); p. 1833 - 1855, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

25.88

41.6

Vogel, A. I.; Journal of the Chemical Society; (1948); p. 1833 - 1855, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

27.79

25.5

Vogel, A. I.; Journal of the Chemical Society; (1948); p. 1833 - 1855, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

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28.77

19.2

Vogel, A. I.; Journal of the Chemical Society; (1948); p. 1833 - 1855, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

29.23

15.3

Vogel, A. I.; Journal of the Chemical Society; (1948); p. 1833 - 1855, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

21.9

75.1

Jaeger, F. M.; Kahn, J.; Proc. Kon. nederl. Akad. Wetensch.; vol. 19; (1916); p. 397 404, View in Reaxys; Jaeger, F. M.; Kahn, J.; Versl. wis.en natuurk. Afd. Kon. nederl. Akad. Wetensch.; vol. 25; (1916); p. 301 - 308, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

22.9

64.8

24.3

50.3

25.8

35.2

27.3

20.8

29.3

31.6

-20.5

37.4

-70

24.91

46.2

Ramsay, W.; Shields, J.; Journal of the Chemical Society; vol. 63; (1893); p. 1089 1109, View in Reaxys; Ramsay, W.; Shields, J.; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 12; (1893); p. 433 - 475, View in Reaxys; vol. P: MVol.C; 182, page 418 - 421 ; (from Gmelin), View in Reaxys

28.71

16.4

Thermal Expansion (1) Coefficient [1/K] Kind of Expansion Temperature (Thermal Expansion) [°C] 0.001207

cubic expansion

References

Weissler, A.; Journal of the American Chemical Society; vol. 71; (1949); p. 1272 - 1274, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys

Transport Data (10) Description Comment (Trans(Transport Data) port Data)

References

Thermal conductivity

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

thermal conductivity = 0.00106 cal/(m*s*K); 200 Deg C; calculated; Gaseous

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Thermal conductivity

thermal conductivity = 0.01078 cal/(m*s*K); 2000 Deg C; calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.01425 cal/(m*s*K); 3000 Deg C; calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.01725 cal/(m*s*K); 4000 Deg C; calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conducvol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. tivity = 0.0018 cal/ R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys (m*s*K); 300 Deg C; calculated; Gaseous

Thermal conductivity

thermal conductivity = 0.01992 cal/(m*s*K); 5000 Deg C; calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.00327 cal/(m*s*K); 500 Deg C; calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.00043 cal/(m*s*K); 100 Deg C; calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.00634 cal/(m*s*K); 1000 Deg C; calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.00876 cal/(m*s*K); 1500 Deg C; calculated; Gaseous

vol. P: MVol.C; 182, page 418 - 421, View in Reaxys; Svehla, R. A.; NASA Techn. Rep. R-132 (1962) 1/140 ; (from Gmelin), View in Reaxys

Transport Phenomena (MCS) (1) 1 of 1

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 24.84 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 2.9E-12 m**2/s - 3.3E-12 m**2/s

Partner (Transport Phenomena (MCS))

1-Bu-1-Me-pyrrolidinium (trifluormethylsulfonyl)2imide

Silvester, Debbie S.; Aldous, Leigh; Lagunas, M. Cristina; Hardacre, Christopher; Compton, Richard G.; Journal of Physical Chemistry B; vol. 110; nb. 43; (2006); p. 22035 - 22042 ; (from Gmelin), View in Reaxys Vapour Pressure (9) Vapour Pressure Temperature (Va[Torr] pour Pressure) [°C]

Comment (Vapour Pressure)

References

33/52

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vapor pressure di- Matsumoto, K.; Schoenherr, E.; Wojnowski, M; Berichte der Bunagram; vapor sen-Gesellschaft; vol. 98; nb. 6; (1994); p. 773 - 776 ; (from Gmelin), pressure equaView in Reaxys tion; Liquid vapor pressure di- Dudchik, G. P.; Polyachenok, O. G.; Russian Journal of Inorganic agram Chemistry (Translation of Zhurnal Neorganicheskoi Khimii); vol. 24; (1979); p. 360 - 362; Zhurnal Neorganicheskoi Khimii; vol. 24; (1979); p. 646 - 650 ; (from Gmelin), View in Reaxys 1139 - 1141

88.5 - 88.9

379 - 381

53.1 - 53.5

759 - 761

74.6 - 75

0.002

-111.8

Zernike, J.; Recueil Trav. chim.; vol. 69; (1950); p. 116 - 124, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys vapor pressure equation; Liquid

Arii, K.; Kawabata, M.; Bull. Inst. phys. chem. Res.; vol. 17; (1938); p. 299 - 308, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys

341.4

Liquid

Aries, E.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 166; (1918); p. 802 - 805, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys

674.2

Liquid

Aries, E.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 166; (1918); p. 802 - 805, View in Reaxys; vol. P: MVol.C; 181, page 416 - 418 ; (from Gmelin), View in Reaxys

NMR Spectroscopy (28) 1 of 28

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- chloroform-d1 scopy) Beckmann, Jens; Schuetrumpf, Alexandra; European Journal of Organic Chemistry; nb. 2; (2010); p. 363 - 369, View in Reaxys; Yanachkov, Ivan; Zavizion, Boris; Metelev, Valeri; Stevens, Laura J.; Tabatadze, Yekaterina; Yanachkova, Milka; Wright, George; Krichevsky, Anna M.; Tabatadze, David R.; Organic and Biomolecular Chemistry; vol. 15; nb. 6; (2017); p. 1363 - 1380, View in Reaxys 2 of 28

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

31P

Frequency (NMR Spectroscopy) [MHz]

121.5

Location

supporting information

Wolff, Alexander; Pallmann, Julia; Brunner, Eike; Doert, Thomas; Ruck, Michael; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 643; nb. 1; (2017); p. 20 - 24, View in Reaxys 3 of 28

Description (NMR Spec- Chemical shifts troscopy)

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Nucleus (NMR Spectroscopy)

31P

Location

supporting information

Chakrabarty, Suman; Takacs, James M.; Journal of the American Chemical Society; vol. 139; nb. 17; (2017); p. 6066 - 6069, View in Reaxys 4 of 28

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

122

Location

supporting information

Schwenger, Alexander; Frey, Wolfgang; Richert, Clemens; Angewandte Chemie - International Edition; vol. 55; nb. 44; (2016); p. 13706 - 13709; Angew. Chem.; vol. 128; nb. 44; (2016); p. 13910 - 13913,4, View in Reaxys 5 of 28

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- chloroform-d1 scopy) Location

Paragraph 00135

Patent; IDENIX PHARMACEUTICALS, INC.; MOUSSA, Adel M.; CHOI, Jun-Young; ARUNACHALAM, Kannan; WO2015/95305; (2015); (A1) English, View in Reaxys 6 of 28

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

31P

Troev; Todorov; Naydenova; Mitova; Vassilev; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 188; nb. 9; (2013); p. 1147 - 1155, View in Reaxys; Gazizov; Khairullin; Karimova; Russian Journal of General Chemistry; vol. 83; nb. 12; (2013); p. 2281 - 2292; Zh. Obshch. Khim.; vol. 83; nb. 12; (2013); p. 1996 - 2007,12, View in Reaxys 7 of 28

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- (2)H8-toluene scopy) Wrackmeyer, Bernd; Klimkina, Elena V.; Milius, Wolfgang; European Journal of Inorganic Chemistry; nb. 17; (2012); p. 2908 - 2915 ; (from Gmelin), View in Reaxys 8 of 28

Nucleus (NMR Spectroscopy)

31P

Original Text (NMR Spectroscopy)

31P

Location

Page/Page column 12

Comment (NMR Spectroscopy)

Signals given

Resonance (ppm) 202

Patent; INVISTA NORTH AMERICA S.A R.L.; US2010/267990; (2010); (A1) English, View in Reaxys 9 of 28

Nucleus (NMR Spectroscopy)

31P

35/52

2017-10-13 08:02:07

Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)

Signals given

Dehghani, Hossein; Shaterian, Maryam; Polyhedron; vol. 27; nb. 15; (2008); p. 3263 - 3266 ; (from Gmelin), View in Reaxys 10 of 28

Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]

22.84

Comment (NMR Spectroscopy)

Signals given

Boshaala, Ahmed M. A.; Simpson, Stephen J.; Autschbach, Jochen; Zheng, Shaohui; Inorganic Chemistry; vol. 47; nb. 20; (2008); p. 9279 - 9292 ; (from Gmelin), View in Reaxys 11 of 28

Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- [D3]acetonitrile scopy) Original Text (NMR Spectroscopy)

31P

Comment (NMR Spectroscopy)

Signals given

NMR (CD3CN) δ 201 ppm

Patent; Dellinger, Douglas J.; Timar, Zoltan; Dellinger, Geraldine; Caruthers, Marvin H.; US2007/99859; (2007); (A1) English, View in Reaxys 12 of 28

Nucleus (NMR Spectroscopy)

31P

Original Text (NMR Spectroscopy)

signal at 220ppm

Location

Page/Page column 31; 32; 33

Comment (NMR Spectroscopy)

Signals given

Patent; CIBA SPECIALTY CHEMICALS HOLDING INC.; WO2007/42431; (2007); (A1) English, View in Reaxys 13 of 28

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- solid matrix scopy) Comment (NMR Spectroscopy)

Signals given

Lee, Garry S. H.; Ratcliffe, Christopher I.; Ripmeester, John A.; Canadian Journal of Chemistry; vol. 76; nb. 11; (1998); p. 1660 - 1667 ; (from Gmelin), View in Reaxys 14 of 28

Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- CS2 scopy) Comment (NMR Spectroscopy)

Signals given

Tattershall, Bruce W.; Kendall, Nigel L.; Polyhedron; vol. 13; (1994); p. 1517 - 1522 ; (from Gmelin), View in Reaxys

36/52

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15 of 28

Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- gas scopy) Temperature (NMR Spectroscopy) [°C]

26.75 - 26.95

Comment (NMR Spectroscopy)

Signals given

Jameson, Cynthia J.; Dios, Angel De; Jameson, A. Keith; Chemical Physics Letters; vol. 167; (1990); p. 575 582 ; (from Gmelin), View in Reaxys 16 of 28

Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- further solvent(s) scopy) Comment (NMR Spectroscopy)

Signals given

Tattershall, Bruce W.; Polyhedron; vol. 9; (1990); p. 553 - 556 ; (from Gmelin), View in Reaxys 17 of 28

Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- acetonitrile scopy) Comment (NMR Spectroscopy)

Signals given

Tattershall, Bruce W.; Polyhedron; vol. 9; (1990); p. 553 - 556 ; (from Gmelin), View in Reaxys 18 of 28

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- further solvent(s) scopy) Comment (NMR Spectroscopy)

Signals given

Watanabe, Makoto; Van Wazer, John R.; Bulletin of the Chemical Society of Japan; vol. 55; (1982); p. 2902 2905 ; (from Gmelin), View in Reaxys 19 of 28

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- (CD3)2CO=acetone-d6 scopy) Temperature (NMR Spectroscopy) [°C]

-100.15

Buckingham, Malcolm J.; Hawkes, Geoffrey E.; Ismail, Ismail M.; Sadler, Peter J.; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1982); p. 1167 - 1168 ; (from Gmelin), View in Reaxys 20 of 28

Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- not given scopy) Comment (NMR Spectroscopy)

Signals given

Wazer, J. R. van; Callis, C. F.; Shoolery, J. N.; Jones, R. C.; Journal of the American Chemical Society; vol. 78; (1956); p. 5715 - 5726, View in Reaxys; Fluck, E.; Hoesle, R.; Zischka, A.-K.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 474; (1981); p. 105 - 112, View in Reaxys; Vengel'nikova, V. N.; Timokhin, B. V.; Kalabi-

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2017-10-13 08:02:07

na, A. V.; Donskikh, V. I.; Journal of General Chemistry USSR (English Translation); vol. 52; (1982); p. 1160 - 1163; Zhurnal Obshchei Khimii; vol. 52; (1982); p. 1318 - 1322 ; (from Gmelin), View in Reaxys 21 of 28

Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- CS2 scopy) Temperature (NMR Spectroscopy) [°C]

34.05

Comment (NMR Spectroscopy)

Signals given

Dillon, Keith B.; Platt, Andrew W. G.; Waddington, Thomas C.; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1980); p. 1036 - 1041 ; (from Gmelin), View in Reaxys 22 of 28

Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- methylene chloride=methylene dichloride scopy) Temperature (NMR Spectroscopy) [°C]

34.05

Comment (NMR Spectroscopy)

Signals given

Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- nitrobenzene scopy) Temperature (NMR Spectroscopy) [°C]

34.05

Comment (NMR Spectroscopy)

Signals given

Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- acetonitrile scopy) Temperature (NMR Spectroscopy) [°C]

34.05

Comment (NMR Spectroscopy)

Signals given

Nucleus (NMR Spectroscopy)

35Cl

Solvents (NMR Spectro- neat (no solvent) scopy) Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

Signals given

Barlos, Kleomenis; Kroner, Juergen; Noeth, Heinrich; Wrackmeyer, Bernd; Chemische Berichte; vol. 113; nb. 12; (1980); p. 3716 - 3723 ; (from Gmelin), View in Reaxys

38/52

2017-10-13 08:02:07

26 of 28

Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- not given scopy) Comment (NMR Spectroscopy)

Signals given

Gutowsky; McCall; Journal of Chemical Physics; vol. 22; (1954); p. 162, View in Reaxys; Muller, N.; Lauterbur, P. C.; Goldenson, J.; Journal of the American Chemical Society; vol. 78; (1956); p. 3557 - 3561, View in Reaxys; Parks, J. R.; Journal of the American Chemical Society; vol. 79; (1957); p. 757 - 757, View in Reaxys; vol. P: MVol.C; 160, page 366 - 368 ; (from Gmelin), View in Reaxys 27 of 28

Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- H2O scopy) Comment (NMR Spectroscopy)

Signals given

Dickinson, W. C.; Physical Review; vol. 81; (1951); p. 717 - 731 ; (from Gmelin), View in Reaxys 28 of 28

Nucleus (NMR Spectroscopy)

31P

Solvents (NMR Spectro- water scopy) Comment (NMR Spectroscopy)

Signals given

vol. P: MVol.C; 160, page 366 - 368 ; (from Gmelin), View in Reaxys IR Spectroscopy (10) 1 of 10

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-261

Comment (IR Spectroscopy)

400 cm**-1 - 4000 cm**-1

Lascola, Robert; Withnall, Robert; Andrews, Lester; Journal of Physical Chemistry; vol. 92; nb. 8; (1988); p. 2145 - 2149 ; (from Gmelin), View in Reaxys 2 of 10

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid matrix

Signals [cm-1]

500

Boxhoorn, G.; Stufkens, D. J.; Oskam, A.; Inorganica Chimica Acta; vol. 33; (1979); p. 215 - 226 ; (from Gmelin), View in Reaxys 3 of 10

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-261.16

Comment (IR Spectroscopy)

485 cm**-1 - 500 cm**-1

Beattie, Ian R.; Blayden, H. Edwin; Hall, Stephen M.; Jenny, Simon N.; Ogden, J. Steven; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1976); p. 666 - 676 ; (from Gmelin), View in Reaxys

39/52

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4 of 10

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

not given

Comment (IR Spectroscopy)

252 cm**-1 - 504 cm**-1

Lorenzelli, V.; Moeller, K. D.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 248; (1959); p. 1980 - 1982, View in Reaxys; vol. P: MVol.C; 163, page 372 - 375 ; (from Gmelin), View in Reaxys 5 of 10

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

not given

Comment (IR Spectroscopy)

189 cm**-1 - 507.4 cm**-1

Davis, P. W.; Oetjen, R. A.; J. molec. Spectroscopy; vol. 2; (1958); p. 253 - 258, View in Reaxys; vol. P: MVol.C; 163, page 372 - 375 ; (from Gmelin), View in Reaxys 6 of 10

Description (IR Spectroscopy)

Josien; Fuson; Journal of Chemical Physics; vol. 22; (1954); p. 1169,1170, 1265, View in Reaxys; Katelaar, J. A. A.; Recueil des Travaux Chimiques des Pays-Bas; vol. 75; (1956); p. 857 - 961, View in Reaxys; vol. P: MVol.C; 187, page 431 - 433, View in Reaxys; vol. P: MVol.C; 188, page 433 - 434 ; (from Gmelin), View in Reaxys 7 of 10

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

not given

Signals [cm-1]

190

O'Loane; Journal of Chemical Physics; vol. 21; (1953); p. 669,671,673, View in Reaxys; vol. P: MVol.C; 163, page 372 - 375 ; (from Gmelin), View in Reaxys 8 of 10

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

carbon disulfide

Signals [cm-1]

511

Brodskii, A. E.; Sack, A. M.; Kortchagin, L. V.; Proceedings - Indian Academy of Sciences, Section A; vol. 9; (1939); p. 105 - 108, View in Reaxys; Brodskij, A. I.; Korchagin, L. V.; Zhurnal Fizicheskoi Khimii; vol. 10; (1937); p. 868 - 871, View in Reaxys; Korchagin, L. V.; Mem. Inst. Chem. Acad. Sci. UkrSSR (dtsch.); vol. 8; (1938); p. 185 - 186, View in Reaxys; Korchagin, L. V.; Mem. Inst. Chem. Acad. Sci. UkrSSR (russ.); vol. 8; (1938); p. 183 - 184, View in Reaxys; Korchagin, L. V.; Mem. Inst. Chem. Acad. Sci. UkrSSR (ukrain.); vol. 8; (1938); p. 159 - 183, View in Reaxys; vol. P: MVol.C; 163, page 372 - 375 ; (from Gmelin), View in Reaxys 9 of 10

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

chloroform

Comment (IR Spectroscopy)

504 cm**-1 - 505 cm**-1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

not given

40/52

2017-10-13 08:02:07

Comment (IR Spectroscopy)

230 cm**-1 - 265 cm**-1

Duncan, A. B. F.; Journal of Chemical Physics; vol. 3; (1935); p. 384 - 385, View in Reaxys; vol. P: MVol.C; 163, page 372 - 375 ; (from Gmelin), View in Reaxys Mass Spectrometry (2) Description (Mass Comment (Mass Spectrometry) Spectrometry) mass spectrometry

References Sandoval, A. A.; Moser, H. C.; Kiser, R. W.; Journal of Physical Chemistry; vol. 67; (1963); p. 124 - 126, View in Reaxys; vol. P: MVol.C; 160, page 366 - 368 ; (from Gmelin), View in Reaxys

Fragmentation pattern

Kusch, P.; Hustrulid, A.; Tate, J. T.; Physical Review; vol. 52; (1937); p. 840 - 840, View in Reaxys; vol. P: MVol.C; 163, page 372 - 375 ; (from Gmelin), View in Reaxys

UV/VIS Spectroscopy (1) 1 of 1

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

acetonitrile

Comment (UV/VIS Spectroscopy)

220 nm - 380 nm

Kisil'; Osadchenko; Tomilov; Russian Journal of Applied Chemistry; vol. 76; nb. 8; (2003); p. 1356 - 1357 ; (from Gmelin), View in Reaxys ESR Spectroscopy (1) 1 of 1

Description (ESR Spectroscopy)

Spectrum; g-factor

Solvents (ESR Spectroscopy)

solid

Temperature (ESR Spectroscopy) [°C]

-248.15

Bonazzola, L.; Michaut, J. P.; Roncin, J.; Journal of Chemical Physics; vol. 75; nb. 10; (1981); p. 4829 - 4832 ; (from Gmelin), View in Reaxys NQR Spectroscopy (3) Description (NQR Nucleus (NQR Spectroscopy) Spectroscopy)

Comment (NQR Spectroscopy)

References

Nuclear quadrupole coupling constants

35Cl

Kozlov; Kapustin; Soifer; Journal of Molecular Structure; vol. 550-551; (2000); p. 167 - 175 ; (from Gmelin), View in Reaxys

Nuclear quadrupole coupling constants

35Cl

Spectrum available

Litzistorf, G.; Sengupta, S.; Lucken, E. A. C.; Journal of Molecular Structure; vol. 83; (1982); p. 285 - 288 ; (from Gmelin), View in Reaxys

not given

Nuclear quadrupole resonance

Diehl, P.; Helvetica Physica Acta; vol. 29; (1956); p. 219 - 221, View in Reaxys; vol. P: MVol.C; 159, page 363 - 366 ; (from Gmelin), View in Reaxys

Rotational Spectroscopy (1) Description (Rota- References tional Spectroscopy) Microwave spectrum

Kisliuk, P.; Townes, C. H.; Journal of Chemical Physics; vol. 18; (1950); p. 1109 - 1111, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370 ; (from Gmelin), View in Reaxys

Raman Spectroscopy (2) Description (Ram- References an Spectroscopy) Spectrum

Wolff, Alexander; Pallmann, Julia; Brunner, Eike; Doert, Thomas; Ruck, Michael; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 643; nb. 1; (2017); p. 20 - 24, View in Reaxys

Raman

Costa, A. M. Amorim da; Journal of Chemical Physics; vol. 75; nb. 11; (1981); p. 5280 - 5284, View in Reaxys; Gates, Peter N.; Knachel, Howard C.; Finch, Arthur; Fratini, Albert V.; Fitch, Andrew N.; et al.; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); nb. 17; (1995); p. 2719 - 2722, View in Reaxys; Bhagavantam, S.; Indian Journal of Physics (1926-1976); vol. 5;

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2017-10-13 08:02:07

(1930); p. 35 - 48, View in Reaxys; Bhagavantam, S.; Indian Journal of Physics (1926-1976); vol. 5; (1930); p. 73 - 95, View in Reaxys; Brodskij, A. I.; Korchagin, L. V.; Zhurnal Fizicheskoi Khimii; vol. 10; (1937); p. 868 - 871, View in Reaxys; Cabannes, J.; Rousset, A.; Ann. Phys. (Paris) (10); vol. 19; (1933); p. 229 - 303, View in Reaxys; Cabannes, J.; Rousset, A.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 194; (1932); p. 79 - 81, View in Reaxys; Daure, P.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 187; (1928); p. 940 - 941, View in Reaxys; Nielsen, J. R.; Ward, N. E.; Journal of Chemical Physics; vol. 10; (1942); p. 81 - 87, View in Reaxys; Nisi, H.; Jpn. J. Phys.; vol. 6; (1930); p. 1 T - 15 T, View in Reaxys; Sirkar, S. C.; Gupta, J.; Indian Journal of Physics (1926-1976); vol. 11; (1937); p. 55 - 64, View in Reaxys; Theimer, O.; Acta phys. austriaca (dtsch.); vol. 1; (1947); p. 188 - 199, View in Reaxys; Venkatesvaran, S.; Philosophical Magazine (1798-1977); vol. 15; (1933); p. 263 - 282, View in Reaxys; Venkateswaran, S.; Indian Journal of Physics (1926-1976); vol. 6; (1931); p. 275 - 285, View in Reaxys; Venkateswaran, S.; Philosophical Magazine (1798-1977); vol. 14; (1932); p. 258 - 270, View in Reaxys; Yost, M.; Anderson, T. F.; Journal of Chemical Physics; vol. 2; (1934); p. 624 - 627, View in Reaxys; vol. P: MVol.C; 160, page 366 - 368, View in Reaxys; vol. P: MVol.C; 161, page 368 - 370, View in Reaxys; vol. P: MVol.C; 163, page 372 - 375, View in Reaxys; Bhagavantam, S.; Indian Journal of Physics (1926-1976); vol. 5; (1930); p. 59 - 71, View in Reaxys; Brodsky, A. E.; Kortschagin, L. W.; Acta Physicochimica URSS; vol. 7; (1937); p. 791 - 796, View in Reaxys; Trumpy, B.; Zeitschrift fuer Physik; vol. 68; (1931); p. 675 - 682, View in Reaxys; Daure, P.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 187; (1928); p. 826 - 828, View in Reaxys; Daure, P.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 188; (1929); p. 1605 - 1606, View in Reaxys; Rizo, Pedro Julian; Kobayashi, Takayoshi; Applied Physics Letters; vol. 85; nb. 1; (2004); p. 28 - 30, View in Reaxys; Daure, P.; Ann. Phys. (Paris) (10); vol. 12; (1929); p. 375 - 441 ; (from Gmelin), View in Reaxys Luminescence Spectroscopy (1) Description (LuReferences minescence Spectroscopy) X-ray emission spectrum

Dolenko, G. N.; Litvin, A. L.; Elin, V. P.; Poleshchuk, O. Kh.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 40; nb. 2.2; (1991); p. 345 - 352; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 2; (1991); p. 403 - 410, View in Reaxys; Dolenko, G. N.; Elin, V. P.; Poleshchuk, O. Kh.; Litvin, A. L.; Voronov, V. K.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 40; nb. 2.2; (1991); p. 352 - 354; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 2; (1991); p. 411 - 413, View in Reaxys; Dolenko, G. N.; Litvin, A. L.; Elin, V. P.; Poleshchuk, O. Kh.; Journal of Structural Chemistry; vol. 33; nb. 2; (1992); p. 214 225; Zhurnal Strukturnoi Khimii; vol. 33; nb. 2; (1992); p. 67 - 78, View in Reaxys; Dolenko, G. N.; Journal of Molecular Structure; vol. 291; nb. 1; (1993); p. 23 - 58, View in Reaxys; Yumatov, V. D.; Mazalov, L. N.; Okotrub, A. V.; Topol', I. A.; Kondratenko, A. V.; Voityuk, A. A.; Journal of Structural Chemistry; vol. 24; nb. 5; (1983); p. 676 - 682; Zhurnal Strukturnoi Khimii; vol. 24; nb. 5; (1983); p. 30 - 36, View in Reaxys; Topol', I. A.; Kondratenko, A. V.; Mazalov, L. N.; Dolenko, G. N.; Chesnyi, S. A.; Journal of Structural Chemistry; vol. 22; nb. 2; (1981); p. 161 - 167; Zhurnal Strukturnoi Khimii; vol. 22; nb. 2; (1981); p. 22-29.., View in Reaxys; Topol, I. A.; Kondratenko, A. V.; Yumatov, V. D.; Mazalov, L. N.; Okotrub, A. V.; et al.; Bulletin of the Academy of Sciences of the USSR, Physical Series (English Translation); vol. 46/4; (1982); p. 770 - 775,137 - 142, View in Reaxys; Guillot, Florence; Dezarnaud-Dandine, Christine; Tronc, Michel; Chemical Physics; vol. 224; nb. 2-3; (1997); p. 281 - 300 ; (from Gmelin), View in Reaxys

Fluorescence Spectroscopy (1) Description (Fluo- References rescence Spectroscopy) Fluorescence

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Other Spectroscopic Methods (4) Description (Oth- References er Spectroscopic Methods) Photoelectron spectrum

Grodzicki, Michael; Walther, Horst; Elbel, Susanne; Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie; vol. 39; nb. 10; (1984); p. 1319 - 1330, View in Reaxys; Boyle, Kenneth J.; Jarvis, Gary K.; Tuckett, Richard P.; Journal of the Chemical Society - Faraday Transactions; vol. 94; nb. 8; (1998); p. 1045 - 1050, View in Reaxys; Chattopadhyay, S.; Findley, G. L.; McGlynn, S. P.; Journal of Electron Spectroscopy and Related Phenomena; vol. 24; (1981); p. 27 - 36, View in Reaxys; Tuckett; Jarvis; Boyle; Mayhew; Journal of Electron Spectroscopy and Related Phenomena; vol. 101-103; (1999); p. 93 99, View in Reaxys; Daamen, H.; Boxhoorn, G.; Oskam, A.; Inorganica Chimica Acta; vol. 28; (1978); p. 263 - 270 ; (from Gmelin), View in Reaxys

Auger electron spectrum

Platania, R.; Maracci, F.; Souza, A. C. A.; Souza, G. G. B. de; Chemical Physics; vol. 163; (1992); p. 381 386, View in Reaxys; Sodhi, Rana N.; Cavell, Ronald G.; Journal of Electron Spectroscopy and Related Phenomena; vol. 32; (1983); p. 283 - 312, View in Reaxys; Cavell, Ronald G.; Sodhi, Rana; Journal of Electron Spectroscopy and Related Phenomena; vol. 15; (1979); p. 145 - 150 ; (from Gmelin), View in Reaxys

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Electron energy loss spectrum

Sodhi, Rana N. S.; Brion, C. E.; Journal of Electron Spectroscopy and Related Phenomena; vol. 37; (1985); p. 145 - 162, View in Reaxys; Sodhi, Rana N. S.; Brion, C. E.; Journal of Electron Spectroscopy and Related Phenomena; vol. 37; (1985); p. 97 - 124 ; (from Gmelin), View in Reaxys

ESCA

Sodhi, Rana N. S.; Brion, C. E.; Journal of Electron Spectroscopy and Related Phenomena; vol. 37; (1985); p. 97 - 124, View in Reaxys; Sodhi, Rana N.; Cavell, Ronald G.; Journal of Electron Spectroscopy and Related Phenomena; vol. 32; (1983); p. 283 - 312 ; (from Gmelin), View in Reaxys

Use (23) Laboratory Use and Handling

Use Pattern

Location

References

Chemical processes/laboratory use

Page/Page column 21; 23

Patent; BOEHRINGER INGELHEIM INTERNATIONAL TRADING (SHANGHAI) CO., LTD:; BOEHRINGER INGELHEIM INTERNATIONAL GMBH; ZHENG, Juncheng; DENG, Da; LV, Guanghua; YAN, Jun; BRANDENBURG, Joerg; KROEBER, Jutta; SCHOLZ, Ulrich; WO2015/101554; (2015); (A1) English, View in Reaxys

chlorinating agent Page/Page column 21; 23

synthesis of Page/Page colEGFR tyrosine umn 21; 23 kinase inhibitors based on a quinazoline, quinoline or pyrimidopyrimidine core structure

Chemical processes/laboratory use

Page/Page column 26

Patent; SAUDI BASIC INDUSTRIES CORPORATION; SABIC GLOBAL TECHNOLOGIES B.V.; SAINANI, Jaiprakash Brijlal; VIMALKUMAR, Mahendrabhai Patel; WO2014/206876; (2014); (A1) English, View in Reaxys

chlorinating agent Page/Page column 26

Patent; SAUDI BASIC INDUSTRIES CORPORATION; SABIC GLOBAL TECHNOLOGIES B.V.; SAINANI, Jaiprakash Brijlal; VIMALKUMAR, Mahendrabhai Patel; WO2014/206876; (2014); (A1) English, View in Reaxys

preparing a dialkoxydichlorosilane

Patent; SAUDI BASIC INDUSTRIES CORPORATION; SABIC GLOBAL TECHNOLOGIES B.V.; SAINANI, Jaiprakash Brijlal; VIMALKUMAR, Mahendrabhai Patel; WO2014/206876; (2014); (A1) English, View in Reaxys

Page/Page column 26

corrosive

Zink, Daniel M.; Baumann, Thomas; Nieger, Martin; Braese, Stefan; European Journal of Organic Chemistry; nb. 8; (2011); p. 1432 1437, View in Reaxys

toxic

Zink, Daniel M.; Baumann, Thomas; Nieger, Martin; Braese, Stefan; European Journal of Organic Chemistry; nb. 8; (2011); p. 1432 1437, View in Reaxys chlorinating agent

Patent; Sumitomo Chemical Company, Limited; EP1932846; (2008); (A1) English, View in Reaxys

Chlorinating agent

Patent; COUNCIL OF SCIENTIFIC and INDUSTRIAL RESEARCH; US2006/142595; (2006); (A1) English, View in Reaxys

Reagent for halogenation

Patent; SANKYO COMPANY, LIMITED; OKAZAKI, Rei; IKEUCHI, Yutaka; WO2006/35685; (2006); (A1) Japanese, View in Reaxys

stable for weeks in 1-butyl-1-methylpyrrolidinium bis(trifluormethylsulfonyl)imide; instable in air; not stable in conventional solvents such asacetonitrile

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Chlorinating agent in synthesis of highly pure cefdinir

Patent; LUPIN LTD; US2005/245738; (2005); (A1) English, View in Reaxys

Reactant for preparing chlorides

Patent; KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO; WO2005/113500; (2005); (A1) English, View in Reaxys

handling described

Kisil'; Osadchenko; Tomilov; Russian Journal of Applied Chemistry; vol. 76; nb. 8; (2003); p. 1356 - 1357, View in Reaxys; anonymous; Ind. Chem.; vol. 25; (1949); p. 517 - 520, View in Reaxys; vol. P: MVol.C; 179, page 412 - 414 ; (from Gmelin), View in Reaxys

moisture sensitive

Aubauer, Christoph; Engelhardt, Guenter; Klapoetke, Thomas M.; Noeth, Heinrich; Schulz, Axel; Warchhold, Marcus; European Journal of Inorganic Chemistry; nb. 10; (2000); p. 2245 - 2253 ; (from Gmelin), View in Reaxys

moisture-sensitive

Jaw, Huey-Rong; Zink, Jeffrey I.; Inorganic Chemistry; vol. 27; (1988); p. 3421 - 3424 ; (from Gmelin), View in Reaxys

information on use

Baccolini, Graziano; Sandali, Claudio; Journal of the Chemical Society, Chemical Communications; (1987); p. 788 - 789, View in Reaxys; Voigt, A.; Biltz, W.; Z. Anorg. Chem.; vol. 133; (1924); p. 277 - 305, View in Reaxys; Arthur, J. R.; Bowring, J. R.; Journal of the Chemical Society; (1949); p. 1 - 12, View in Reaxys; Dufraisse, C.; Horclois, R.; C. r. Acad. Sci. (Paris); vol. 192; (1931); p. 564 - 566, View in Reaxys; Walden, P.; Z. Anorg. Chem.; vol. 25; (1900); p. 209 - 226, View in Reaxys; vol. P: MVol.C; 182, page 418 421, View in Reaxys; vol. P: MVol.C; 183, page 421 - 424, View in Reaxys; Patent; Crawford, P. B.; US2804146; (1957); C. A.; (1958); p. 4160 ; (from Gmelin), View in Reaxys

very sensitive to moisture and oxygen

Linthoudt, J. P. van; Berghe, E. V. van den; Kelen, G. P. van der; Journal of Molecular Structure; vol. 67; (1980); p. 269 - 278 ; (from Gmelin), View in Reaxys

decompn. in H2O or D2O;

Braune, H.; Zehle, F.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 49; (1941); p. 247 - 256, View in Reaxys; vol. Cl: SVol.B1; 36, page 113 115, View in Reaxys; Zehle, F.; Diss. Hannover T. H. 1941, S. 1/24 ; (from Gmelin), View in Reaxys

decompn. in D2O;

Kopper, H.; Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre; vol. 175; (1936); p. 469 - 472, View in Reaxys; vol. Cl: SVol.B1; 30, page 100 - 102 ; (from Gmelin), View in Reaxys

no decompn. by Br2 or iodine;

Gladstone, J. H.; Philosophical Magazine (1798-1977); vol. 35; (1849); p. 345 - 355, View in Reaxys; Gladstone, J. H.; Journal fuer Praktische Chemie (Leipzig); vol. 49; (1850); p. 40 - 51, View in Reaxys; vol. P: MVol.C; 159, page 363 - 366 ; (from Gmelin), View in Reaxys

explosion with ClO3F at 100 300°C;

vol. Cl: SVol.B2; 128, page 585 - 587, View in Reaxys; Mandell, H. C.; Encyclopedia of Chemical Technology, 2. Erg.-Bd., herausgegeben von Kirk, R. E., Othmer, D. F., The Interscience Encyclopedia, Inc., New York 1960, S. 577/87 ; (from Gmelin), View in Reaxys

Quantum Chemical Calculations (82) Calculated Prop- Method (Quantum References erties Chemical Calculations) Atom distances, angles; Dipole moment, dipole moment derivative

further quantum chemical calcns.

Ionization poten- Ab initio calcns. tial, orbital energy (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Kalemos, Apostolos; Mavridis, Aristides; Journal of Physical Chemistry A; vol. 115; nb. 11; (2011); p. 2378 - 2384 ; (from Gmelin), View in Reaxys

Zverev, V. V.; Bazhanova, Z. G.; Journal of General Chemistry USSR (English Translation); vol. 60; (1990); p. 1307 - 1313; Zhurnal Obshchei Khimii; vol. 60; (1990); p. 1461 1467, View in Reaxys; Segala, Maximiliano; Chong, Delano P.; Journal of Electron Spectroscopy and Related Phenomena; vol. 182; nb. 3; (2010); p. 141 - 144, View in Reaxys; Christe, Karl O.; Haiges, Ralf; Boatz, Jerry A.; Jenkins, H. Donald

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Brooke; Garner, Edward B.; Dixon, David A.; Inorganic Chemistry; vol. 50; nb. 8; (2011); p. 3752 - 3756 ; (from Gmelin), View in Reaxys Population analysis, charge distribution; Dipole moment, dipole moment derivative

Electron correlation and CI calcn.

Scheiner, Steve; Chemical Physics; vol. 387; nb. 1-3; (2011); p. 79 - 84 ; (from Gmelin), View in Reaxys

Total energy; Ionization potential, orbital energy; Atomization energy

Ab initio calcns. Roy, Amlan K.; Chemical Physics Letters; vol. 461; nb. 1-3; (2008); p. 142 - 149 ; (from (LCAO, GO SCF, Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Potential energy function, potential curve; Total energy; NMR shifts, signals, intensities, transition moments

Ab initio calcns. Suvorov; Russian Journal of General Chemistry; vol. 77; nb. 9; (2007); p. 1502 - 1508 ; (LCAO, GO SCF, (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Atom distances, angles; Population analysis, charge distribution

Electron correlation and CI calcn.

Raabe, Ines; Roehr, Caroline; Krossing, Ingo; Dalton Transactions; nb. 46; (2007); p. 5376 - 5386 ; (from Gmelin), View in Reaxys

Ionization poten- Electron correlatial, orbital energy tion and CI calcn.

Jalbout; Boutalib; Journal of Physical Chemistry A; vol. 110; nb. 45; (2006); p. 12524 12527 ; (from Gmelin), View in Reaxys

Molecular orbitals

Ab initio calcns. Bessac, Fabienne; Frenking, Gernot; Inorganic Chemistry; vol. 45; nb. 17; (2006); p. (LCAO, GO SCF, 6956 - 6964 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Atom distances, angles

Electron correlation and CI calcn.

Kaupp, Martin; Chemische Berichte; vol. 129; nb. 5; (1996); p. 535 - 544, View in Reaxys; See, Ronald F.; Baker, Thomas A.; Kahler, Pamela; Inorganic Chemistry; vol. 44; nb. 14; (2005); p. 4961 - 4968 ; (from Gmelin), View in Reaxys

Atom distances, angles

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Kunz, Roland W.; Helvetica Chimica Acta; vol. 63; nb. 7; (1980); p. 2054 - 2070, View in Reaxys; Custodio, R.; Takahata, Y.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 24; nb. 11; (1985); p. 903 - 907, View in Reaxys; Versluis, Louis; Ziegler, Tom; Journal of Chemical Physics; vol. 88; nb. 1; (1988); p. 322 - 328, View in Reaxys; Aubauer, Christoph; Engelhardt, Guenter; Klapoetke, Thomas M.; Noeth, Heinrich; Schulz, Axel; Warchhold, Marcus; European Journal of Inorganic Chemistry; nb. 10; (2000); p. 2245 - 2253, View in Reaxys; Check, Catherine E.; Lobring, Kim C.; Keating, Pamela R.; Gilbert, Thomas M.; Sunderlin, Lee S.; Journal of Physical Chemistry A; vol. 107; nb. 42; (2003); p. 8961 - 8967 ; (from Gmelin), View in Reaxys

Shielding constant

Ab initio calcns. Ruiz-Morales, Yosadara; Ziegler, Tom; Journal of Physical Chemistry A; vol. 102; nb. (LCAO, GO SCF, 22; (1998); p. 3970 - 3976, View in Reaxys; Chesnut; Chemical Physics Letters; vol. DIM, SAMO, X-al- 380; nb. 3-4; (2003); p. 251 - 257 ; (from Gmelin), View in Reaxys pha, HartreeFock)

NMR shifts, signals, intensities, transition moments

Ab initio calcns. Patchkovskii, Serguei; Ziegler, Tom; Journal of Physical Chemistry A; vol. 106; nb. 6; (LCAO, GO SCF, (2002); p. 1088 - 1099, View in Reaxys; Chesnut, D. B.; Rusiloski, B. E.; Chemical DIM, SAMO, X-al- Physics; vol. 157; (1991); p. 105 - 110 ; (from Gmelin), View in Reaxys pha, HartreeFock)

Population analysis, charge distribution; Electron distribution

Ab initio calcns. Noury, Stephane; Silvi, Bernard; Gillespie, Ronald J.; Inorganic Chemistry; vol. 41; (LCAO, GO SCF, nb. 8; (2002); p. 2164 - 2172 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Atom distances, angles; Population analysis,

Ab initio calcns. Heil, Terry E.; Check, Catherine E.; Lobring, Kim C.; Sunderlin, Lee S.; Journal of (LCAO, GO SCF, Physical Chemistry A; vol. 106; nb. 42; (2002); p. 10043 - 10048, View in Reaxys; FrenkDIM, SAMO, X-al- ing, Gernot; Wichmann, Karin; Froehlich, Nikolaus; Grobe, Joseph; Golla, Winfried;

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charge distribution

pha, HartreeFock)

Le Van, Duc; Krebs, Bernt; Laege, Mechtild; Organometallics; vol. 21; nb. 14; (2002); p. 2921 - 2930 ; (from Gmelin), View in Reaxys

Atom distances, angles; Population analysis, charge distribution; Electronegativity; Force constant

Ab initio calcns. Atanasov; Reinen; Journal of Physical Chemistry A; vol. 105; nb. 22; (2001); p. 5450 (LCAO, GO SCF, 5467 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Atomization energy

Ab initio calcns. Curtiss, Larry A.; Redfern, Paul C.; Raghavachari, Krishnan; Pople, John A.; Journal (LCAO, GO SCF, of Chemical Physics; vol. 114; nb. 1; (2001); p. 108 - 117 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Atom distances, angles; Molecular orbitals; Electronic energy levels; Population analysis, charge distribution

Ab initio calcns. See; Dutoi; McConnell; Naylor; Journal of the American Chemical Society; vol. 123; (LCAO, GO SCF, nb. 12; (2001); p. 2839 - 2848 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Transition energies

Other semi-empir- Cavell, Ronald G.; Juergensen, Astrid; Journal of Electron Spectroscopy and Related ical calcns. Phenomena; vol. 101-103; (1999); p. 125 - 129 ; (from Gmelin), View in Reaxys (Hueckel, PPP)

Transition energies

Electron correlation and CI calcn.

Cavell, Ronald G.; Juergensen, Astrid; Journal of Electron Spectroscopy and Related Phenomena; vol. 101-103; (1999); p. 125 - 129 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dipole moment, dipole moment derivative; IR bands, intensities, transition moments

Electron correlation and CI calcn.

Timoshkin, Alexey Y.; Suvorov, Andrew V.; Bettinger, Holger F.; Schaefer III, Henry F.; Journal of the American Chemical Society; vol. 121; nb. 24; (1999); p. 5687 - 5699 ; (from Gmelin), View in Reaxys

Total energy; Electron affinity

Electron correlation and CI calcn.

Miller, Thomas M.; Viggiano; Morris, Robert A.; Stevens Miller, Amy E.; Journal of Chemical Physics; vol. 111; nb. 7; (1999); p. 3309 - 3310 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dipole moment, dipole moment derivative; IR bands, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Timoshkin; Suvorov; Shaefer III; Russian Journal of General Chemistry; vol. 69; nb. 4; (1999); p. 544 - 550, View in Reaxys; Timoshkin, Alexey Y.; Suvorov, Andrew V.; Bettinger, Holger F.; Schaefer III, Henry F.; Journal of the American Chemical Society; vol. 121; nb. 24; (1999); p. 5687 - 5699 ; (from Gmelin), View in Reaxys

Atom distances, angles; Equilibrium internuclear distance; IR bands, intensities, transition moments; Vibrational constants; Total energy

Ab initio calcns. Charkin; McKee; Klimenko; Schleyer; Russian Journal of Inorganic Chemistry; vol. 43; (LCAO, GO SCF, nb. 8; (1998); p. 1227 - 1240 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Atom distances, Electron correlaangles; Equilibri- tion and CI calcn. um internuclear distance; IR bands, intensities, transition moments; Vibrational constants; Total energy

Charkin; McKee; Klimenko; Schleyer; Russian Journal of Inorganic Chemistry; vol. 43; nb. 8; (1998); p. 1227 - 1240 ; (from Gmelin), View in Reaxys

Atom distances, angles; Equilibrium internuclear

Miller, Thomas M.; Seeley, John V.; Knighton; Meads, Roger F.; Viggiano; Morris, Robert A.; Van Doren, Jane M.; Gu, Jiande; Schaefer, Henry F.; Journal of Chemical Physics; vol. 109; nb. 2; (1998); p. 578 - 584 ; (from Gmelin), View in Reaxys

Electron correlation and CI calcn.

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distance; Population analysis, charge distribution; Total energy; Electron affinity Ionization poten- further quantum tial, orbital energy chemical calcns.

Creve, Steven; Nguyen, Minh Tho; Journal of Physical Chemistry A; vol. 102; nb. 32; (1998); p. 6549 - 6557, View in Reaxys; Elbel, Susanne; Blanck, Andreas; Walther, Horst; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 81; (1985); p. 869 - 880 ; (from Gmelin), View in Reaxys

Molecular orbitals; Electronic energy levels; Vibrational constants

Ab initio calcns. Creve, Steven; Nguyen, Minh Tho; Journal of Physical Chemistry A; vol. 102; nb. 32; (LCAO, GO SCF, (1998); p. 6549 - 6557 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Vibrational constants

Electron correlation and CI calcn.

Creve, Steven; Nguyen, Minh Tho; Journal of Physical Chemistry A; vol. 102; nb. 32; (1998); p. 6549 - 6557 ; (from Gmelin), View in Reaxys

Total energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Cooper, David L.; Cunningham, Terry P.; Gerratt, Joseph; Karadakov, Peter B.; Raimondi, Mario; Journal of the American Chemical Society; vol. 116; nb. 10; (1994); p. 4414 - 4426, View in Reaxys; Kafafi, Sherif A.; Journal of Physical Chemistry A; vol. 102; nb. 50; (1998); p. 10404 - 10413 ; (from Gmelin), View in Reaxys

Atom distances, angles; Proton affinity; Population analysis, charge distribution; Ionization potential, orbital energy

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Boldeskul, Igor E.; Journal of Molecular Structure; vol. 448; nb. 2-3; (1998); p. 171 176 ; (from Gmelin), View in Reaxys

Atom distances, angles; Vibrational constants

Ab initio calcns. Decker, Stephen A.; Klobukowski, Mariusz; Sakai, Yoshiko; Miyoshi, Eisaku; Jour(LCAO, GO SCF, nal of Molecular Structure: THEOCHEM; vol. 451; nb. 1-2; (1998); p. 215 - 226 ; (from DIM, SAMO, X-al- Gmelin), View in Reaxys pha, HartreeFock)

Atom distances, angles; Vibrational constants

Electron correlation and CI calcn.

Decker, Stephen A.; Klobukowski, Mariusz; Sakai, Yoshiko; Miyoshi, Eisaku; Journal of Molecular Structure: THEOCHEM; vol. 451; nb. 1-2; (1998); p. 215 - 226 ; (from Gmelin), View in Reaxys

Fine/ hyper fine coupling constants

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Lobayan, R. M.; Aucar, G. A.; Journal of Molecular Structure; vol. 452; (1998); p. 1 12 ; (from Gmelin), View in Reaxys

Atom distances, angles; Molecular orbitals; Electron distribution

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Timokhin; Golubin; Ratovskii; Safronov; Ignat'ev; Russian Journal of General Chemistry; vol. 66; nb. 2; (1996); p. 278 - 284 ; (from Gmelin), View in Reaxys

Atom distances, angles; Population analysis, charge distribution; Total energy; Contour map

Ab initio calcns. Bader, Richard F. W.; Johnson; Tang; Popelier; Journal of Physical Chemistry; vol. (LCAO, GO SCF, 100; nb. 38; (1996); p. 15398 - 15415 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Atom distances, angles; NMR shifts, signals, intensities, transition moments; Molecular orbitals

Ab initio calcns. Kaupp, Martin; Chemische Berichte; vol. 129; nb. 5; (1996); p. 535 - 544 ; (from Gme(LCAO, GO SCF, lin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Knop, Osvald; Linden, Anthony; Vincent, Beverly R.; Choi, S. C.; Cameron, T. Stanley; Boyd, Russell J.; Canadian Journal of Chemistry; vol. 67; (1989); p. 1984 - 2008, View in Reaxys; Klamt; Jonas; Journal of Chemical Physics; vol. 105; nb. 22; (1996); p. 9972 - 9981 ; (from Gmelin), View in Reaxys

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Atom distances, angles

further quantum chemical calcns.

Drean; Paplewski; Demaison; Breidung; Thiel; Beckers; Buerger; Inorganic Chemistry; vol. 35; nb. 26; (1996); p. 7671 - 7678 ; (from Gmelin), View in Reaxys

Atom distances, Ab initio calcns. Howard, S. T.; Platts, J. A.; Journal of Physical Chemistry; vol. 99; nb. 22; (1995); p. angles; Proton af- (LCAO, GO SCF, 9027 - 9033 ; (from Gmelin), View in Reaxys finity DIM, SAMO, X-alpha, HartreeFock) Electron affinity; Atom distances, angles; Dissociation energy, bonding energy

Ab initio calcns. Gutsev, G. L.; Chemical Physics; vol. 179; (1994); p. 325 - 340 ; (from Gmelin), (LCAO, GO SCF, View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Atom distances, angles; Equilibrium internuclear distance

Ab initio calcns. Mastryukov, Vladimir S.; Palafox, Mauricio Alcolea; Boggs, James E.; Journal of Mo(LCAO, GO SCF, lecular Structure; vol. 304; (1994); p. 261 - 268 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Contour map; To- Valence bond tal energy; Molec- calcns. ular orbitals

Total energy; Cor- Electron correlarelation energy; tion and CI calcn. Wave function

Magnusson, Eric; Journal of the American Chemical Society; vol. 115; nb. 3; (1993); p. 1051 - 1061 ; (from Gmelin), View in Reaxys

Wave function

Ab initio calcns. Magnusson, Eric; Journal of the American Chemical Society; vol. 115; nb. 3; (1993); p. (LCAO, GO SCF, 1051 - 1061 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Atom distances, angles

Valence bond calcns.

Root, Daniel M.; Landis, Clark R.; Cleveland, Thomas; Journal of the American Chemical Society; vol. 115; nb. 10; (1993); p. 4201 - 4209 ; (from Gmelin), View in Reaxys

Electronegativity

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Datta, Dipankar; Inorganic Chemistry; vol. 31; (1992); p. 2797 - 2800 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Dipole moment, dipole moment derivative; Atom distances, angles; Molecular orbitals; Total energy

Ab initio calcns. Yang, Charles; Goldstein, Elisheva; Breffle, Scott; Jin, Suquian; Journal of Molecular (LCAO, GO SCF, Structure; vol. 259; (1992); p. 345 - 368 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Total energy

Electron correlation and CI calcn.

Yang, Charles; Goldstein, Elisheva; Breffle, Scott; Jin, Suquian; Journal of Molecular Structure; vol. 259; (1992); p. 345 - 368 ; (from Gmelin), View in Reaxys

Total energy; Atom distances, angles

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Aagaard, Olav M.; Waal, Bas F. M. de; Cabbolet, Marcoen J. T. F.; Janssen, Rene A. J.; Journal of Physical Chemistry; vol. 96; nb. 2; (1992); p. 614 - 623, View in Reaxys; Choi, S. C.; Boyd, Russell J.; Knop, Osvald; Canadian Journal of Chemistry; vol. 66; (1988); p. 2465 - 2476 ; (from Gmelin), View in Reaxys

Electron affinity; Ionization potential, orbital energy; Dissociation energy, bonding energy; Atom distances, angles; Excited states

Ab initio calcns. Gutsev, G. L.; Russian Journal of Inorganic Chemistry (Translation of Zhurnal Neorgani(LCAO, GO SCF, cheskoi Khimii); vol. 37; (1992); p. 1118 - 1125; Zhurnal Neorganicheskoi Khimii; vol. 37; DIM, SAMO, X-al- (1992); p. 2160 - 2173 ; (from Gmelin), View in Reaxys pha, HartreeFock)

Population analysis, charge distribution

Semi-empirical NDO calcns.

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(CNDO, INDO, MINDO, PCILO)

Electronic energy levels; Atom distances, angles

Litvin, A. L.; Voronov, V. K.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 40; nb. 2.2; (1991); p. 352 - 354; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 2; (1991); p. 411 - 413, View in Reaxys; Dolenko, G. N.; Litvin, A. L.; Elin, V. P.; Poleshchuk, O. Kh.; Journal of Structural Chemistry; vol. 33; nb. 2; (1992); p. 214 - 225; Zhurnal Strukturnoi Khimii; vol. 33; nb. 2; (1992); p. 67 - 78, View in Reaxys; Dolenko, G. N.; Litvin, A. L.; Elin, V. P.; Poleshchuk, O. Kh.; Journal of Molecular Structure; vol. 251; (1991); p. 11 - 28 ; (from Gmelin), View in Reaxys

Ab initio calcns. Novak, Igor; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 68; nb. 1-4; (LCAO, GO SCF, (1992); p. 15 - 24 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Ionization poten- Semi-empirical tial, orbital energy NDO calcns. (CNDO, INDO, MINDO, PCILO)

Yumatov, V. D.; Mazalov, L. N.; Okotrub, A. V.; Topol', I. A.; Kondratenko, A. V.; Voityuk, A. A.; Journal of Structural Chemistry; vol. 24; nb. 5; (1983); p. 676 - 682; Zhurnal Strukturnoi Khimii; vol. 24; nb. 5; (1983); p. 30 - 36, View in Reaxys; Ermolaeva, L. V.; Everev, V. V.; Journal of Structural Chemistry; vol. 24; nb. 5; (1983); p. 683 - 689; Zhurnal Strukturnoi Khimii; vol. 24; nb. 5; (1983); p. 37 - 43, View in Reaxys; Zverev, V. V.; Bazhanova, Z. G.; Journal of General Chemistry USSR (English Translation); vol. 60; (1990); p. 1307 - 1313; Zhurnal Obshchei Khimii; vol. 60; (1990); p. 1461 - 1467 ; (from Gmelin), View in Reaxys

Ionization potential, orbital energy; Dipole moment, dipole moment derivative; Atom distances, angles

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Dewar, Michael J. S.; Jie, Caoxian; Journal of Molecular Structure; vol. 187; (1989); p. 1 - 14 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Atom distances, angles; Electronic energy levels; Excited states; Vibrational constants

Ab initio calcns. Clotet, A.; Rubio, J.; Illas, F.; Journal of Molecular Structure; vol. 164; (1988); p. 351 (LCAO, GO SCF, 362 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Population analysis, charge distribution; Electronic energy levels

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Dissociation ener- Semi-empirical gy, bonding ener- NDO calcns. gy (CNDO, INDO, MINDO, PCILO)

Korkin, A. A.; Tsvetkov, E. N.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 37; (1988); p. 500 - 502; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 37; (1988); p. 597 - 600 ; (from Gmelin), View in Reaxys Rakshit, S. C.; Datta, S.; Mukherjee, Bani; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 20; nb. 11; (1981); p. 1103 - 1105, View in Reaxys; Rakshit, S. C.; Hazra, B.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 27; nb. 2; (1988); p. 145 - 147, View in Reaxys; Rakshit, S. C.; Mukherjee, Bani; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 4; (1983); p. 273 - 277 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Atom distances, angles; Total energy; Dipole moment, dipole moment derivative; Vibrational constants

Ab initio calcns. Shell, R.; Steele, D.; Gates, P. N.; Journal of Chemical Physics; vol. 87; nb. 5; (1987); p. (LCAO, GO SCF, 2893 - 2897 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Coriolis coupling; Force constant

Correlation energy

Semi-empirical NDO calcns.

Oles, Andrzej M.; Fulde, Peter; Boehm, Michael C.; Chemical Physics; vol. 117; (1987); p. 385 - 404 ; (from Gmelin), View in Reaxys

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(CNDO, INDO, MINDO, PCILO) Ionization poten- Other semi-empir- El-Issa, Basheer D.; Zanati, Huda M.; Journal of the Chemical Society, Faraday Transtial, orbital energy ical calcns. actions 2: Molecular and Chemical Physics; vol. 82; (1986); p. 93 - 100 ; (from Gmelin), (Hueckel, PPP) View in Reaxys Atomization energy

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Volkova, M. V.; Sevast'yanova, T. N.; Semenov, S. G.; Suvorov, A. V.; Tarasova, A. Sh.; Sov. J. Coord. Chem. (Engl. Transl.); vol. 12; (1986); p. 866 - 873; Koordinatsionnaya Khimiya; vol. 12; (1986); p. 1490 - 1497 ; (from Gmelin), View in Reaxys

Atom distances, angles; Total energy; Molecular orbitals; Proton affinity; Population analysis, charge distribution

Ab initio calcns. Magnusson, Eric; Australian Journal of Chemistry; vol. 38; nb. 1; (1985); p. 23 - 46 ; (LCAO, GO SCF, (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Electronic energy levels; Molecular orbitals; Population analysis, charge distribution

further quantum chemical calcns.

Karelov, A. A.; Molostov, V. I.; Journal of General Chemistry USSR (English Translation); vol. 55; (1985); p. 1982 - 1985; Zhurnal Obshchei Khimii; vol. 55; (1985); p. 2233 2237 ; (from Gmelin), View in Reaxys

Electronic energy levels; Molecular orbitals; Population analysis, charge distribution

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Atom distances, angles; Dipole moment, dipole moment derivative; Force constant; Ionization potential, orbital energy

Ab initio calcns. Trinquier; Daudey; Caruana; Madaule; Journal of the American Chemical Society; vol. (LCAO, GO SCF, 106; nb. 17; (1984); p. 4794 - 4799 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Electron affinity; Electronic energy levels; Ionization potential, orbital energy

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Panina, N. S.; Yakovlev, V. N.; Kukushkin, Yu. N.; Journal of Structural Chemistry; vol. 25; (1984); p. 682 - 687; Zhurnal Strukturnoi Khimii; vol. 25/5; (1984); p. 21 - 26 ; (from Gmelin), View in Reaxys

Atom distances, angles; Contour map; Dipole moment, dipole moment derivative; Molecular orbitals; Population analysis, charge distribution

further quantum chemical calcns.

Grodzicki, Michael; Walther, Horst; Elbel, Susanne; Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie; vol. 39; nb. 10; (1984); p. 1319 1330 ; (from Gmelin), View in Reaxys

Electron distribution; Electronic energy levels

further quantum chemical calcns.

Dipole moment, dipole moment derivative; Population analysis, charge distribution

Empirical methods

Ionization potential, orbital ener-

Other semi-empir- Min Xin; Lue-Yung Chow Chiu; Li, Du; Pan, Yuh-Kang; Journal of Electron Spectroical calcns. scopy and Related Phenomena; vol. 33; (1984); p. 93 - 106 ; (from Gmelin), (Hueckel, PPP) View in Reaxys

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gy; Molecular orbitals Population analysis, charge distribution; Transition energies

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Sodhi, Rana N.; Cavell, Ronald G.; Journal of Electron Spectroscopy and Related Phenomena; vol. 32; (1983); p. 283 - 312 ; (from Gmelin), View in Reaxys

Molecular orbitals; Electronic energy levels

Electron correlation and CI calcn.

Marynick, Dennis S.; Rosen, David C.; Liebman, Joel F.; Journal of Molecular Structure; vol. 94; (1983); p. 47 - 50 ; (from Gmelin), View in Reaxys

Electronic energy levels; Molecular orbitals

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Kharabaev, N. N.; Breus, S. F.; Kogan, V. A.; Osipov, O. A.; Sov. J. Coord. Chem. (Engl. Transl.); vol. 9; (1983); p. 194 - 196; Koordinatsionnaya Khimiya; vol. 9; (1983); p. 322 - 325 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Rhee, C. H.; Metzger, R. M.; Wiygul, F. M.; Journal of Chemical Physics; vol. 77; nb. 2; (1982); p. 899 - 915 ; (from Gmelin), View in Reaxys

Molecular orbitals; Ionization potential, orbital energy; Population analysis, charge distribution

Ab initio calcns. Topol', I. A.; Kondratenko, A. V.; Mazalov, L. N.; Dolenko, G. N.; Chesnyi, S. A.; Jour(LCAO, GO SCF, nal of Structural Chemistry; vol. 22; nb. 2; (1981); p. 161 - 167; Zhurnal Strukturnoi KhiDIM, SAMO, X-al- mii; vol. 22; nb. 2; (1981); p. 22-29.. ; (from Gmelin), View in Reaxys pha, HartreeFock)

Dipole moment, dipole moment derivative; Quadrupole moment; Magnetic susceptibility; Oscillator strength, transition probability

Molecular orbitals; Electronic energy levels

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Dipole moment, dipole moment derivative

Ab initio calcns. Campbell, J. C.; Hillier, I. H.; Saunders, V. R.; Journal of Chemical Physics; vol. 74; nb. (LCAO, GO SCF, 7; (1981); p. 3971 - 3976 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Total energy; Population analysis, charge distribution; Dipole moment, dipole moment derivative

Ab initio calcns. Marynick, Dennis S.; Journal of Chemical Physics; vol. 73; nb. 8; (1980); p. 3939 (LCAO, GO SCF, 3943 ; (from Gmelin), View in Reaxys DIM, SAMO, X-alpha, HartreeFock)

Dipole moment, dipole moment derivative

further quantum chemical calcns.

Atom distances, angles; Dissociation energy, bonding energy; Ionization potential, orbital energy

Ab initio calcns. Murrell, John N.; Scollary, Carole E.; Journal of the Chemical Society, Dalton Transac(LCAO, GO SCF, tions: Inorganic Chemistry (1972-1999); (1976); p. 818 - 822 ; (from Gmelin), DIM, SAMO, X-al- View in Reaxys pha, HartreeFock)

Chattopadhyay, S.; Findley, G. L.; McGlynn, S. P.; Journal of Electron Spectroscopy and Related Phenomena; vol. 24; (1981); p. 27 - 36 ; (from Gmelin), View in Reaxys

vol. P: MVol.C; 159, page 363 - 366, View in Reaxys; Campbell, J. C.; Hillier, I. H.; Saunders, V. R.; Chemical Physics Letters; vol. 69; (1980); p. 219 - 221, View in Reaxys; Murayama, N.; Proc. Imp. Acad. (tokyo); vol. 20; (1944); p. 93 - 99 ; (from Gmelin), View in Reaxys

Medchem (1) 1 of 1

Bioassay Category

In Vitro (Efficacy)

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Bioassay Name

In Vitro (others)

Substance RN

969177View in Reaxys

Substance Name

PCl3

Qualitative Results

physiological behaviour discussed

Measurement Parameter

Qualitative

Jaw, Huey-Rong; Zink, Jeffrey I.; Inorganic Chemistry; vol. 27; (1988); p. 3421 - 3424, View in Reaxys

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