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-007
Name:2,4-Dibromodiphenylether
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C12H8Br2O/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-1.775

experimental value

-1.399

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