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.

20 compounds | Property M15.logSw: Water solubility as log(Sw) [log(mg/L)]

IDNameM15.logSwDetails
7043-(trifluoromethyl)aniline i3.74View
1165(trifluoromethyl)benzene i2.15View
1879tetrafluoroethene i2.2View
18811,2-dibromo-1,1,2,2-tetrafluoroethane i0.48View
19251-chloro-1,1,2,2,2-pentafluoroethane i1.76View
1952nonadecafluorodecanoic acid i-2.29View
1982tetrafluoromethane i1.27View
19831,2-dichloro-1,1,2,2-tetrafluoroethane i2.11View
1984hexafluoroethane i0.89View
1985octafluorocyclobutane i1.37View
1986pentadecafluorooctanoic acid i-2.02View
19871,1-dichloro-1,2,2,2-tetrafluoroethane i2.14View
19883,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol i1.27View
19893,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol i-0.83View
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-1.96View
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-0.82View
19923,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol i2.99View
1993(2S)-2-chloro-1,1,1,2-tetrafluoroethane i3.18View
19941,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide i-0.09View
1995(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-enoic acid i1.81View

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