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:79
Name:Longifolene
Description:
Labels:
CAS:475-20-7
InChi Code:InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3

Properties

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

ValueSource or prediction
12.17

experimental value

12.58

Model: Model for organic pollutants (Training set)