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-123 | |
|---|---|---|
| Name: | 1,2,3,6,8,9-Hexabromodibenzofuran | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H2Br6O/c13-3-1-5(15)12-8(9(3)16)7-6(19-12)2-4(14)10(17)11(7)18/h1-2H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -6.16280710537333 |
Eq.2: GA-PLS model (Test set) |