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:PCDF-050
Name:1,2,3,6-Tetrachlorodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H4Cl4O/c13-6-3-1-2-5-9-8(17-12(5)6)4-7(14)10(15)11(9)16/h1-4H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-2.87433388197144

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

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