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-113 | |
|---|---|---|
| Name: | 2,3,4,6,8-Pentabromodibenzofuran | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H3Br5O/c13-4-1-5-6-3-7(14)9(16)10(17)12(6)18-11(5)8(15)2-4/h1-3H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -5.42629137502529 |
Eq.2: GA-PLS model (Test set) |