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: | 65 | |
|---|---|---|
| Name: | trans-2-Buten-1-ol | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 504-61-0 | |
| InChi Code: | InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+ |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 121.2 |
experimental value |
| 113.6 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 32.6 |
experimental value |
| 31.5 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |