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:	200
	Name:	Propionitrile
	Description:
	Labels:	Validation
	CAS:	107-12-0
	InChi Code:	InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3

Properties

Tb: Boiling point [°C]

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

Tf: Flash point [°C]

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

Links to External Resources

Link	Resource description
DTXSID1021879	US EPA CompTox Dashboard