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: | PBB-148 | |
|---|---|---|
| Name: | 2,3,5,2',4',6'-Hexabromobiphenyl | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H4Br6/c13-5-1-7(12(18)10(17)4-5)11-8(15)2-6(14)3-9(11)16/h1-4H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -4.65769406170203 |
Eq.2: GA-PLS model (Test set) |