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:3
Name:2-Propanol
Description:
Labels:
CAS:67-63-0
InChi Code:InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3

Properties

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

ValueSource or prediction
14.64

experimental value

15.44

Model: Model for organic pollutants (Training set)

Links to External Resources