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: | 337 | |
|---|---|---|
| Name: | Acetone cyanhydrin | |
| Description: | ||
| Labels: | Training | |
| CAS: | 75-86-5 | |
| InChi Code: | InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 209 |
experimental value |
| 190.3 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 74 |
experimental value |
| 79 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |