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: | 198 | |
|---|---|---|
| Name: | Benzyl benzoate | |
| Description: | ||
| Labels: | Testing | |
| CAS: | 120-51-4 | |
| InChi Code: | InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 323.5 |
experimental value |
| 330.4 |
Tab7_Tb: RBF-NN model for diverse chemicals (Testing set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 148 |
experimental value |
| 150.5 |
Tab7_Tf: RBF-NN model for diverse chemicals (Testing set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8029153 | US EPA CompTox Dashboard |