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: | 323 | |
|---|---|---|
| Name: | 2-Chloropropanol | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 78-89-7 | |
| InChi Code: | InChI=1S/C3H7ClO/c1-3(4)2-5/h3,5H,2H2,1H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 133.5 |
experimental value |
| 125.4 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 51.7 |
experimental value |
| 51.3 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |