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:PCDF-016
Name:2,8-Dichlorodibebenzofuran
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C12H6Cl2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-1.84

experimental value

-1.705

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