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: | 122 | |
|---|---|---|
| Name: | Bis(2-ethyl hexyl) ether | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 10143-60-9 | |
| InChi Code: | InChI=1S/C16H34O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 269.4 |
experimental value |
| 286.4 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 112.8 |
experimental value |
| 127.1 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |