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:	111
	Name:	α-Humulene
	Description:
	Labels:
	CAS:	6753-98-6
	InChi Code:	InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+

Properties

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

Value	Source or prediction
10.46	experimental value
11.51	Model: Model for organic pollutants (Training set)