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-180 | |
|---|---|---|
| Name: | 2,3,4,5,2',4',5'-Heptabromodiphenylether | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H3Br7O/c13-4-1-6(15)8(2-5(4)14)20-9-3-7(16)10(17)12(19)11(9)18/h1-3H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -6.11204303912026 |
Eq.2: GA-PLS model (Test set) |