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-200 | |
|---|---|---|
| Name: | 2,3,4,5,6,2',3',6'-Octabromodiphenylether | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H2Br8O/c13-3-1-2-4(14)11(5(3)15)21-12-9(19)7(17)6(16)8(18)10(12)20/h1-2H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -6.44324274608421 |
Eq.2: GA-PLS model (Test set) |