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-37
Name:1,2,6,8-Tetrachlorodibenzo-p-dioxin
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H4Cl4O2/c13-5-3-7(15)11-9(4-5)18-12-8(17-11)2-1-6(14)10(12)16/h1-4H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-3.56755104908216

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

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