10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

35 compounds | Property M16.logVP: Vapor pressure as log(VP) [log(mm Hg)]

IDNameM16.logVPDetails
1165(trifluoromethyl)benzene i1.589View
1873trifluoroacetic acid i2.041View
18752,2,3,3-tetrafluoropropan-1-ol i1.167View
1879tetrafluoroethene i4.389View
1880hexafluoroprop-1-ene i3.69View
18811,2-dibromo-1,1,2,2-tetrafluoroethane i2.512View
1899hexafluorobenzene i1.927View
19251-chloro-1,1,2,2,2-pentafluoroethane i3.836View
19271-chloro-1,1,3,3,3-pentafluoropropan-2-one i3.155View
1931(2E)-octafluorobut-2-ene i3.301View
19381,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene i1.462View
1943hexafluoropropan-2-one i3.348View
1951tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amine i-0.258View
1952nonadecafluorodecanoic acid i-2.763View
1954tetradecafluorohexane i2.338View
19562,2,3,3,4,4,4-heptafluorobutan-1-ol i1.52View
1970N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide i-6.369View
1985octafluorocyclobutane i3.371View
1986pentadecafluorooctanoic acid i-1.502View
19883,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol i-0.462View
19893,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol i-1.299View
19903,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecan-1-ol i-2.87View
1991N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide i-2.422View
19923,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol i0.206View
1996octafluoropropane i3.822View
1997tricosafluorododecanoic acid i-4.211View
1998hexadecafluoroheptane i1.883View
1999decafluorobutane i3.303View
2000dodecafluorocyclohexane i2.233View
2001heptafluorobutanoic acid i0.805View
2002tridecafluoroheptanoic acid i-0.803View
2003heptadecafluorononanoic acid i-2.011View
20042,2,2-trifluoroacetyl 2,2,2-trifluoroacetate i1.615View
20052-(N-ethyl1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctanesulfonamido)ethyl prop-2-enoate i-4.824View
2006henicosafluoroundecanoic acid i-3.125View

Bibliography

  1. Bhhatarai, B.; Gramatica, P. Prediction of Aqueous Solubility, Vapor Pressure and Critical Micelle Concentration for Aquatic Partitioning of Perfluorinated Chemicals. Environmental Science & Technology 2011, 45, 8120-8128. http://dx.doi.org/10.1021/es101181g