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-188 | |
|---|---|---|
| Name: | 2,3,5,6,2',4',6'-Heptachlorodiphenylether | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H3Cl7O/c13-4-1-7(16)11(8(17)2-4)20-12-9(18)5(14)3-6(15)10(12)19/h1-3H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -3.69176904951043 |
Eq.2: GA-PLS model (Test set) |