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:44
Name:1,3-Dimethylbenzene
Description:
Labels:
CAS:108-38-3
InChi Code:InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3

Properties

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

ValueSource or prediction
15.63

experimental value

15.37

Model: Model for organic pollutants (Validation set)

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