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-179 | |
|---|---|---|
| Name: | 2,3,5,6,2',3',6'-Heptabromodiphenylether | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H3Br7O/c13-4-1-2-5(14)11(8(4)17)20-12-9(18)6(15)3-7(16)10(12)19/h1-3H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -5.48686934586253 |
Eq.2: GA-PLS model (Test set) |