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-114 | |
|---|---|---|
| Name: | 2,3,4,5,4'-Pentachlorodiphenylether | |
| Description: | ||
| Labels: | Validation | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H5Cl5O/c13-6-1-3-7(4-2-6)18-9-5-8(14)10(15)12(17)11(9)16/h1-5H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -3.15 |
experimental value |
| -3.336 |
Eq.2: GA-PLS model (Validation set) |