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-081
Name:2,3,6,7-Tetrabromodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H4Br4O/c13-7-2-1-5-6-3-8(14)9(15)4-10(6)17-12(5)11(7)16/h1-4H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-4.51665215341129

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