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-009
Name:1,7-Dichlorodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H6Cl2O/c13-7-4-5-8-11(6-7)15-10-3-1-2-9(14)12(8)10/h1-6H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-1.44943406836

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

Links to External Resources