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-012 | |
|---|---|---|
| Name: | 3,4-Dibromodiphenylether | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H8Br2O/c13-11-7-6-10(8-12(11)14)15-9-4-2-1-3-5-9/h1-8H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -1.924 |
experimental value |
| -1.778 |
Eq.2: GA-PLS model (Training set) |