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-068 | |
|---|---|---|
| Name: | 2,4,3',5'-Tetrachlorodiphenylether | |
| Description: | ||
| Labels: | Validation | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H6Cl4O/c13-7-1-2-12(11(16)6-7)17-10-4-8(14)3-9(15)5-10/h1-6H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -2.14 |
experimental value |
| -2.178 |
Eq.2: GA-PLS model (Validation set) |