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-72
Name:1,2,4,6,8,9-Hexachlorodibenzo-p-dioxin
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H2Cl6O2/c13-3-1-5(15)9-11(7(3)17)20-12-8(18)4(14)2-6(16)10(12)19-9/h1-2H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-4.62133965426539

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

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