10967/121 - QDB Compounds

QsarDB Repository

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:PBDE-015
Name:4,4'-Dibromodiphenylether
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-2.007

experimental value

-1.991

Eq.2: GA-PLS model (Validation set)