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-004
Name:4-chlorodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H7ClO/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-0.72041408417528

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

Links to External Resources