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:	182
	Name:	Pentyl acetate
	Description:
	Labels:	Validation
	CAS:	628-63-7
	InChi Code:	InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3

Properties

Tb: Boiling point [°C]

Value	Source or prediction
149.2	experimental value
149	Tab7_Tb: RBF-NN model for diverse chemicals (Validation set)

Tf: Flash point [°C]

Value	Source or prediction
23.9	experimental value
39.6	Tab7_Tf: RBF-NN model for diverse chemicals (Validation set)

Links to External Resources

Link	Resource description
DTXSID1027263	US EPA CompTox Dashboard