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:PBDF-124
Name:1,2,3,7,8,9-Hexabromodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H2Br6O/c13-3-1-5-7(11(17)9(3)15)8-6(19-5)2-4(14)10(16)12(8)18/h1-2H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-6.29120330543347

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