Gajewicz, A.; Haranczyk, M.; Puzyn, T. Predicting logarithmic values of the subcooled liquid vapor pressure of halogenated persistent organic pollutants with QSPR: How different are chlorinated and brominated congeners?. Atmos. Environ. 2010, 44, 11, 1428–1436.
Compound
| ID: | PCB-148 | |
|---|---|---|
| Name: | 2,3,5,2',4',6'-Hexachlorobiphenyl | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H4Cl6/c13-5-1-7(12(18)10(17)4-5)11-8(15)2-6(14)3-9(11)16/h1-4H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -2.72 |
experimental value |
| -2.905 |
Eq.2: GA-PLS model (Training set) |