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: | 400 | |
|---|---|---|
| Name: | Ethyl(o-(ethoxycarbonyl)-benzoyloxyacetate) | |
| Description: | ||
| Labels: | Training | |
| CAS: | 84-72-0 | |
| InChi Code: | InChI=1S/C14H16O6/c1-3-11(12(15)16)20-14(18)10-8-6-5-7-9(10)13(17)19-4-2/h5-8,11H,3-4H2,1-2H3,(H,15,16)/p-1 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 453 |
experimental value |
| 447.3 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 185 |
experimental value |
| 187.1 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |