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: | PBDF-051 | |
|---|---|---|
| Name: | 1,2,3,7-Tetrabromodibenzofuran | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H4Br4O/c13-5-1-2-6-8(3-5)17-9-4-7(14)11(15)12(16)10(6)9/h1-4H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -4.41503462577613 |
Eq.2: GA-PLS model (Test set) |