Papa, E.; Gramatica, P. Externally validated QSPR modelling of VOC tropospheric oxidation by NO3 radicals. SAR QSAR Environ. Res. 2008, 19, 655–668.

Compound

	ID:	157
	Name:	alpha-Humulene
	Description:
	Labels:	alkenes
	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(s molecule/cm3)] i

Value	Source or prediction
10.41	experimental value
11.16	Eq1: Full model (Training set)