10967/201 - QDB Compounds

QsarDB Repository

Gramatica, P.; Pilutti, P.; Papa, E. Predicting the NO3 radical tropospheric degradability of organic pollutants by theoretical molecular descriptors. Atmos. Environ. 2003, 37, 3115–3124.

Compound

ID:75
Name:trans-1,2-Dichloroethene
Description:
Labels:
CAS:156-60-5
InChi Code:InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+

Properties

pkNO3: Degradation by NO3 radicals as -logkNO3 [-log(cm3/(s.{molecule}))]

ValueSource or prediction
15.97

experimental value

14.75

Model: Model for organic pollutants (Training set)

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