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:	265
	Name:	1-Hexanethiol
	Description:
	Labels:	Training
	CAS:	111-31-9
	InChi Code:	InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

Properties

Tb: Boiling point [°C]

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

Tf: Flash point [°C]

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

Links to External Resources

Link	Resource description
DTXSID0051574	US EPA CompTox Dashboard