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-077
Name:1,6,7,8-Tetrachlorodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H4Cl4O/c13-6-2-1-3-8-9(6)5-4-7(14)10(15)11(16)12(5)17-8/h1-4H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-2.79533342652769

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

Links to External Resources