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: | 15 | |
|---|---|---|
| Name: | trans-1,4-Dimethylcyclohexane | |
| Description: | ||
| Labels: | Testing | |
| CAS: | 2207-04-7 | |
| InChi Code: | InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 119.4 |
experimental value |
| 115.6 |
Tab7_Tb: RBF-NN model for diverse chemicals (Testing set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 11.1 |
experimental value |
| 12 |
Tab7_Tf: RBF-NN model for diverse chemicals (Testing set) |