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-105
Name:1,3,4,6,7-Pentachlorodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H3Cl5O/c13-5-2-1-4-8-6(14)3-7(15)10(17)12(8)18-11(4)9(5)16/h1-3H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-3.73935250425923

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

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