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: | 765 | |
|---|---|---|
| Name: | (9E)-9-methylheptadec-9-ene | |
| Description: | ||
| Labels: | Olefins | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H36/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2/h16H,4-15,17H2,1-3H3/b18-16+ |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 393.24 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 402.62 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 401.62 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 409.11 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 401.64 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 66 |
experimental value |
| 51.06 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 49.26 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 57.29 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 56.54 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |