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:	111
	Name:	2,3-Dimethyl-1,3-butadiene
	Description:
	Labels:	alkenes
	CAS:	513-81-5
	InChi Code:	InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3

Properties

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

Value	Source or prediction
11.85	experimental value
11.32	Eq1: Full model (Training set)

Links to External Resources

Link	Resource description
DTXSID2022046	US EPA CompTox Dashboard