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: | 81 | |
|---|---|---|
| Name: | 4-Methyl-cyclohexanol | |
| Description: | ||
| Labels: | Testing | |
| CAS: | 589-91-3 | |
| InChi Code: | InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 171 |
experimental value |
| 181.5 |
Tab7_Tb: RBF-NN model for diverse chemicals (Testing set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 70 |
experimental value |
| 71.6 |
Tab7_Tf: RBF-NN model for diverse chemicals (Testing set) |