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:	23
	Name:	β-Caryophyllene
	Description:
	Labels:
	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/b11-6+/t13-,14-/m1/s1

Properties

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

Value	Source or prediction
10.72	experimental value
11.75	Model: Model for organic pollutants (Training set)

Links to External Resources

Link	Resource description
DTXSID8024739	US EPA CompTox Dashboard