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:94
Name:1,3-Cyclohexadiene
Description:
Labels:
CAS:592-57-4
InChi Code:InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2

Properties

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

ValueSource or prediction
10.91

experimental value

10.91

Model: Model for organic pollutants (Validation set)