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: | 126 | |
|---|---|---|
| Name: | Crotonaldehyde | |
| Description: | ||
| Labels: | Testing | |
| CAS: | 123-73-9 | |
| InChi Code: | InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 104 |
experimental value |
| 71 |
Tab7_Tb: RBF-NN model for diverse chemicals (Testing set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 13 |
experimental value |
| -10.3 |
Tab7_Tf: RBF-NN model for diverse chemicals (Testing set) |