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-019 | |
|---|---|---|
| Name: | 2,6,2'-trichlorodiphenylether | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H7Cl3O/c13-8-4-1-2-7-11(8)16-12-9(14)5-3-6-10(12)15/h1-7H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -1.05045979421168 |
Eq.2: GA-PLS model (Test set) |