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: | 259 | |
|---|---|---|
| Name: | Cyclohexyl isocyanate | |
| Description: | ||
| Labels: | Training | |
| CAS: | 3173-53-3 | |
| InChi Code: | InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 169 |
experimental value |
| 165.1 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 48.9 |
experimental value |
| 51.7 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8025464 | US EPA CompTox Dashboard |