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-104 | |
|---|---|---|
| Name: | 1,2,6,7,9-Pentabromodibenzofuran | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H3Br5O/c13-4-1-2-7-9(10(4)16)8-5(14)3-6(15)11(17)12(8)18-7/h1-3H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -5.11160528705291 |
Eq.2: GA-PLS model (Test set) |