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: | PBDE-031 | |
|---|---|---|
| Name: | 2,5,4'-Tribromodiphenylether | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-7-9(14)3-6-11(12)15/h1-7H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -2.55881007614702 |
Eq.2: GA-PLS model (Test set) |