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:	132
	Name:	2-Ethylhexanal
	Description:
	Labels:	Testing
	CAS:	123-05-7
	InChi Code:	InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3

Properties

Tb: Boiling point [°C]

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

Tf: Flash point [°C]

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

Links to External Resources

Link	Resource description
DTXSID9025291	US EPA CompTox Dashboard