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:	262
	Name:	1-Butanethiol
	Description:
	Labels:	Training
	CAS:	109-79-5
	InChi Code:	InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3

Properties

Tb: Boiling point [°C]

Value	Source or prediction
98.5	experimental value
100.6	Tab7_Tb: RBF-NN model for diverse chemicals (Training set)

Tf: Flash point [°C]

Value	Source or prediction
1.7	experimental value
0.5	Tab7_Tf: RBF-NN model for diverse chemicals (Training set)

Links to External Resources

Link	Resource description
DTXSID6026824	US EPA CompTox Dashboard