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: | 1135 | |
|---|---|---|
| Name: | 9-heptylheptadecane | |
| Description: | ||
| Labels: | Paraffins | |
| CAS: | ||
| InChi Code: | InChI=1S/C24H50/c1-4-7-10-13-16-19-22-24(21-18-15-12-9-6-3)23-20-17-14-11-8-5-2/h24H,4-23H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 289.57 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 477.03 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 421.51 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 451.87 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 410 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 87 |
experimental value |
| 87.27 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 76.36 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 82.22 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 62.66 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |