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: | 242 | |
|---|---|---|
| Name: | N-Ethylacetamide | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 625-50-3 | |
| InChi Code: | InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6) |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 205 |
experimental value |
| 175 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 110 |
experimental value |
| 87.7 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5060803 | US EPA CompTox Dashboard |