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-186 | |
|---|---|---|
| Name: | 2,3,4,5,6,2',6'-Heptabromodiphenylether | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H3Br7O/c13-4-2-1-3-5(14)11(4)20-12-9(18)7(16)6(15)8(17)10(12)19/h1-3H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -5.47873334419649 |
Eq.2: GA-PLS model (Test set) |