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:	89
	Name:	Butanal
	Description:
	Labels:	aldehydes
	CAS:	123-72-8
	InChi Code:	InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3

Properties

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

Value	Source or prediction
13.96	experimental value
14.78	Eq1: Full model (Training set)

Links to External Resources

Link	Resource description
DTXSID8021513	US EPA CompTox Dashboard