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: | 368 | |
|---|---|---|
| Name: | 3-Isopropoxypropionitrile | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 110-47-4 | |
| InChi Code: | InChI=1S/C6H11NO/c1-6(2)8-5-3-4-7/h6H,3,5H2,1-2H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 187.8 |
experimental value |
| 207.1 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 68.3 |
experimental value |
| 72.9 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |