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: | 22 | |
|---|---|---|
| Name: | cis-Decalin | |
| Description: | ||
| Labels: | Training | |
| CAS: | 493-01-6 | |
| InChi Code: | InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 195.8 |
experimental value |
| 168.9 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 58 |
experimental value |
| 45.5 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |