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-064 | |
|---|---|---|
| Name: | 1,3,4,6-Tetrabromodibenzofuran | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H4Br4O/c13-6-3-1-2-5-9-7(14)4-8(15)10(16)12(9)17-11(5)6/h1-4H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -4.11740498076241 |
Eq.2: GA-PLS model (Test set) |