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-128 | |
|---|---|---|
| Name: | 2,3,4,2',3',4'-Hexachlorodiphenylether | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H4Cl6O/c13-5-1-3-7(11(17)9(5)15)19-8-4-2-6(14)10(16)12(8)18/h1-4H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -4.06 |
experimental value |
| -3.652 |
Eq.2: GA-PLS model (Training set) |