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:	273
	Name:	3-Methylthiophene
	Description:
	Labels:	Testing
	CAS:	616-44-4
	InChi Code:	InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3

Properties

Tb: Boiling point [°C]

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

Tf: Flash point [°C]

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

Links to External Resources

Link	Resource description
DTXSID8060666	US EPA CompTox Dashboard