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: | PBDD-74 | |
|---|---|---|
| Name: | 1,2,3,4,6,7,9-Heptabromodibenzo-p-dioxin | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12HBr7O2/c13-2-1-3(14)9-10(4(2)15)21-12-8(19)6(17)5(16)7(18)11(12)20-9/h1H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -7.41874157858897 |
Eq.2: GA-PLS model (Test set) |