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-163 | |
|---|---|---|
| Name: | 2,3,5,6,3',4'-Hexachlorodiphenylether | |
| Description: | ||
| Labels: | Validation | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H4Cl6O/c13-6-2-1-5(3-7(6)14)19-12-10(17)8(15)4-9(16)11(12)18/h1-4H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -3.5 |
experimental value |
| -3.451 |
Eq.2: GA-PLS model (Validation set) |