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:PBB-014
Name:3,5-Dibromobiphenyl
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H8Br2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-1.53691464003956

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