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:	316
	Name:	1-Chlorooctane
	Description:
	Labels:	Training
	CAS:	111-85-3
	InChi Code:	InChI=1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

Properties

Tb: Boiling point [°C]

Value	Source or prediction
181.5	experimental value
163.4	Tab7_Tb: RBF-NN model for diverse chemicals (Training set)

Tf: Flash point [°C]

Value	Source or prediction
70	experimental value
53.7	Tab7_Tf: RBF-NN model for diverse chemicals (Training set)

Links to External Resources

Link	Resource description
DTXSID0021543	US EPA CompTox Dashboard