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:PBDD-64
Name:1,2,3,4,6,8-Hexabromodibenzo-p-dioxin
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H2Br6O2/c13-3-1-4(14)10-5(2-3)19-11-8(17)6(15)7(16)9(18)12(11)20-10/h1-2H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-6.7019435261621

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