Saldana, D. A.; Starck, L.; Mougin, P.; Rousseau, B.; Pidol, L.; Jeuland, N.; Creton, B. Flash Point and Cetane Number Predictions for Fuel Compounds Using Quantitative Structure Property Relationship (QSPR) Methods. Energy Fuels 2011, 25, 9, 3900–3908.
Compound
| ID: | 330 | |
|---|---|---|
| Name: | cyclohexyl ethanoate | |
| Description: | ||
| Labels: | Cyclic, (Oxygenates) | |
| CAS: | ||
| InChi Code: | InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 330.15 |
experimental value |
| 336.04 |
FP_PLS-MD: PLS-MD model for flash point (Training set) |
| 331.93 |
FP_SVM-GD: SVM-GD model for flash point (Training set) |
| 331.45 |
FP_NN-MD: NN-MD model for flash point (Training set) |
| 333.67 |
FP_NN-GD: NN-GD model for flash point (Training set) |
| 333.27 |
FP_consensus: Consensus model for flash point (Training set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 24.09 |
CN_SVM-GD: SVM-GD model for cetane number (Prediction set) |
| 5.7 |
CN_SVM-MD: SVM-MD model for cetane number (Prediction set) |
| 13.5 |
CN_NN-MD: NN-MD model for cetane number (Prediction set) |
| 45.3 |
CN_GRNN-MD: GRNN-MD model for cetane number (Prediction set) |