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-53
Name:1,2,3,6,9-Pentachlorodibenzo-p-dioxin
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H3Cl5O2/c13-4-1-2-5(14)11-10(4)18-7-3-6(15)8(16)9(17)12(7)19-11/h1-3H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-4.05204720923463

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

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