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: | 332 | |
|---|---|---|
| Name: | Succinonitrile | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 110-61-2 | |
| InChi Code: | InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 266 |
experimental value |
| 210.5 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 132.2 |
experimental value |
| 73.1 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9026059 | US EPA CompTox Dashboard |