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-171 | |
|---|---|---|
| Name: | 2,3,4,6,2',3',4'-Heptabromodiphenylether | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H3Br7O/c13-4-1-2-7(10(18)8(4)16)20-12-6(15)3-5(14)9(17)11(12)19/h1-3H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -5.78490127796957 |
Eq.2: GA-PLS model (Test set) |