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-60
Name:1,2,4,7,8-Pentachlorodibenzo-p-dioxin
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H3Cl5O2/c13-4-2-8-9(3-5(4)14)19-12-10(17)6(15)1-7(16)11(12)18-8/h1-3H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-4.42553509444956

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

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