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:38
Name:1-Butyne
Description:
Labels:
CAS:107-00-6
InChi Code:InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3

Properties

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

ValueSource or prediction
15.34

experimental value

15.32

Model: Model for organic pollutants (Training set)

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