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-131 | |
|---|---|---|
| Name: | 2,3,4,6,2',3'-Hexabromodiphenylether | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H4Br6O/c13-5-2-1-3-8(9(5)16)19-12-7(15)4-6(14)10(17)11(12)18/h1-4H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -4.75297306993092 |
Eq.2: GA-PLS model (Test set) |