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:	189
	Name:	Hexyl acetate
	Description:
	Labels:	Testing
	CAS:	142-92-7
	InChi Code:	InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3

Properties

Tb: Boiling point [°C]

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

Tf: Flash point [°C]

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

Links to External Resources

Link	Resource description
DTXSID6022006	US EPA CompTox Dashboard