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-00
Name:Dibenzo-p-dioxin
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-0.29

experimental value

-0.695

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

Links to External Resources