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-079 | |
|---|---|---|
| Name: | 3,4,3',5'-Tetrachlorodiphenylether | |
| Description: | ||
| Labels: | Validation | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H6Cl4O/c13-7-3-8(14)5-10(4-7)17-9-1-2-11(15)12(16)6-9/h1-6H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -2.34 |
experimental value |
| -2.617 |
Eq.2: GA-PLS model (Validation set) |