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-111 | |
|---|---|---|
| Name: | 1,4,6,7,8-Pentabromodibenzofuran | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H3Br5O/c13-5-1-2-6(14)12-8(5)4-3-7(15)9(16)10(17)11(4)18-12/h1-3H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -5.10089070643629 |
Eq.2: GA-PLS model (Test set) |