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.
Compound
| ID: | 1993 | |
|---|---|---|
| Name: | (2S)-2-chloro-1,1,1,2-tetrafluoroethane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,1,1,2-tetrafluoro-2-chloroethane | |
| Labels: | ||
| CAS: | 2837-89-0 | |
| InChi Code: | InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H/t1-/m1/s1 |
Properties
M15.logSw: Water solubility as log(Sw) [log(mg/L)]
| Value | Source or prediction |
|---|---|
| 3.18 |
experimental value |
| 3.6008 |
Tab2.Model_15: PFC solubility in water (Training set) |