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:	33
	Name:	beta-Caryophyllene
	Description:
	Labels:	alkenes
	CAS:	87-44-5
	InChi Code:	InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3

Properties

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

Value	Source or prediction
10.72	experimental value
11.69	Eq1: Full model (Training set)