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-134
Name:1,2,3,4,7,8,9-Heptabromodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12HBr7O/c13-2-1-3-4(7(15)6(2)14)5-8(16)9(17)10(18)11(19)12(5)20-3/h1H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-7.24497236106776

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