Tetteh, J.; Suzuki, T.; Metcalfe, E.; Howells, S. Quantitative Structure-Property Relationships for the Estimation of Boiling Point and Flash Point Using a Radial Basis Function Neural Network. J. Chem. Inf. Model. 1999, 39, 491-507.

Compound

	ID:	203
	Name:	Butyronitrile
	Description:
	Labels:	Validation
	CAS:	109-74-0
	InChi Code:	InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3

Properties

Tb: Boiling point [°C]

Value	Source or prediction
117.9	experimental value
117.1	Tab7_Tb: RBF-NN model for diverse chemicals (Validation set)

Tf: Flash point [°C]

Value	Source or prediction
16.7	experimental value
15.2	Tab7_Tf: RBF-NN model for diverse chemicals (Validation set)

Links to External Resources

Link	Resource description
DTXSID1026823	US EPA CompTox Dashboard