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:PCDD-01
Name:1-chlorodibenzo-p-dioxin
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C12H7ClO2/c13-8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-1.12

experimental value

-1.343

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