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: | 236 | |
|---|---|---|
| Name: | Diphenylamine | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 122-39-4 | |
| InChi Code: | InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 302 |
experimental value |
| 291.3 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 152.8 |
experimental value |
| 138 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4021975 | US EPA CompTox Dashboard |