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:	282
	Name:	Phenyl isothiocyanate
	Description:
	Labels:	Testing
	CAS:	103-72-0
	InChi Code:	InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H

Properties

Tb: Boiling point [°C]

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

Tf: Flash point [°C]

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

Links to External Resources

Link	Resource description
DTXSID0021129	US EPA CompTox Dashboard