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: | 264 | |
|---|---|---|
| Name: | Thiophenol | |
| Description: | ||
| Labels: | Testing | |
| CAS: | 108-98-5 | |
| InChi Code: | InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 169.1 |
experimental value |
| 163.1 |
Tab7_Tb: RBF-NN model for diverse chemicals (Testing set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 50.6 |
experimental value |
| 41.9 |
Tab7_Tf: RBF-NN model for diverse chemicals (Testing set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7026811 | US EPA CompTox Dashboard |