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-092
Name:1,2,3,6,8-Pentachlorodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H3Cl5O/c13-4-1-5-9-8(18-12(5)7(15)2-4)3-6(14)10(16)11(9)17/h1-3H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-3.66683630821689

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

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