10967/121 - QDB Compounds

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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-11
Name:2,7-Dichlorodibenzo-p-dioxin
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C12H6Cl2O2/c13-7-1-3-9-11(5-7)16-10-4-2-8(14)6-12(10)15-9/h1-6H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-2.09

experimental value

-2.387

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

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