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:78
Name:2,2,3-Trimethylbutane
Description:
Labels:
CAS:464-06-2
InChi Code:InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3

Properties

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

ValueSource or prediction
15.65

experimental value

15.54

Model: Model for organic pollutants (Training set)

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