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:	141
	Name:	2-Hexanone
	Description:
	Labels:	Testing
	CAS:	591-78-6
	InChi Code:	InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3

Properties

Tb: Boiling point [°C]

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

Tf: Flash point [°C]

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

Links to External Resources

Link	Resource description
DTXSID0022068	US EPA CompTox Dashboard