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: | 16 | |
|---|---|---|
| Name: | Ethylcyclohexane | |
| Description: | ||
| Labels: | Training | |
| CAS: | 1678-91-7 | |
| InChi Code: | InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 132 |
experimental value |
| 122.4 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 35 |
experimental value |
| 16.1 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1051779 | US EPA CompTox Dashboard |