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: | PCDE-147 | |
|---|---|---|
| Name: | 2,3,5,6,2',4'-Hexachlorodiphenylether | |
| Description: | ||
| Labels: | Validation | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H4Cl6O/c13-5-1-2-9(6(14)3-5)19-12-10(17)7(15)4-8(16)11(12)18/h1-4H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -3.42 |
experimental value |
| -3.182 |
Eq.2: GA-PLS model (Validation set) |