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: | 812 | |
|---|---|---|
| Name: | 7-hexylpentadec-7-ene | |
| Description: | ||
| Labels: | Olefins | |
| CAS: | ||
| InChi Code: | InChI=1S/C21H42/c1-4-7-10-13-14-17-20-21(18-15-11-8-5-2)19-16-12-9-6-3/h20H,4-19H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 415.56 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 420.47 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 409.47 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 429.21 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 418.67 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 47 |
experimental value |
| 64.29 |
CN_SVM-GD: SVM-GD model for cetane number (Test set) |
| 52.84 |
CN_SVM-MD: SVM-MD model for cetane number (Test set) |
| 55.78 |
CN_NN-MD: NN-MD model for cetane number (Test set) |
| 55.14 |
CN_GRNN-MD: GRNN-MD model for cetane number (Test set) |