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-43
Name:1,3,6,9-Tetrachlorodibenzo-p-dioxin
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H4Cl4O2/c13-5-3-8(16)10-9(4-5)17-11-6(14)1-2-7(15)12(11)18-10/h1-4H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-3.33482151149832

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

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