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: | 769 | |
|---|---|---|
| Name: | 1,3-dimethylcyclohex-1-ene | |
| Description: | ||
| Labels: | Olefins | |
| CAS: | ||
| InChi Code: | InChI=1S/C8H14/c1-7-4-3-5-8(2)6-7/h6-7H,3-5H2,1-2H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 285 |
experimental value |
| 284.7 |
FP_PLS-MD: PLS-MD model for flash point (Test set) |
| 293.1 |
FP_SVM-GD: SVM-GD model for flash point (Test set) |
| 285.84 |
FP_NN-MD: NN-MD model for flash point (Test set) |
| 288.29 |
FP_NN-GD: NN-GD model for flash point (Test set) |
| 287.98 |
FP_consensus: Consensus model for flash point (Test set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 31.75 |
CN_SVM-GD: SVM-GD model for cetane number (Prediction set) |
| 23.88 |
CN_SVM-MD: SVM-MD model for cetane number (Prediction set) |
| 40.84 |
CN_NN-MD: NN-MD model for cetane number (Prediction set) |
| 37.15 |
CN_GRNN-MD: GRNN-MD model for cetane number (Prediction set) |