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:47
Name:1-Propylacetate
Description:
Labels:
CAS:109-60-4
InChi Code:InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3

Properties

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

ValueSource or prediction
16.3

experimental value

16.68

Model: Model for organic pollutants (Training set)