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: | 199 | |
|---|---|---|
| Name: | Acrylonitrile | |
| Description: | ||
| Labels: | Training | |
| CAS: | 107-13-1 | |
| InChi Code: | InChI=1S/C3H3N/c1-2-3-4/h2H,1H2 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 77.4 |
experimental value |
| 90.9 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.3 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5020029 | US EPA CompTox Dashboard |