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-47 | |
|---|---|---|
| Name: | 1,4,7,8-Tetrabromodibenzo-p-dioxin | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H4Br4O2/c13-5-1-2-6(14)12-11(5)17-9-3-7(15)8(16)4-10(9)18-12/h1-4H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -4.82839592507687 |
Eq.2: GA-PLS model (Test set) |