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:	66
	Name:	3-Buten-1-ol
	Description:
	Labels:	Testing
	CAS:	627-27-0
	InChi Code:	InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2

Properties

Tb: Boiling point [°C]

Value	Source or prediction
111.7	experimental value
113.6	Tab7_Tb: RBF-NN model for diverse chemicals (Testing set)

Tf: Flash point [°C]

Value	Source or prediction
37.8	experimental value
31.5	Tab7_Tf: RBF-NN model for diverse chemicals (Testing set)

Links to External Resources

Link	Resource description
DTXSID2060836	US EPA CompTox Dashboard