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: | 1136 | |
|---|---|---|
| Name: | 9-methylheptadecane | |
| Description: | ||
| Labels: | Paraffins | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H38/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2/h18H,4-17H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 402.18 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 423.82 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 413.96 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 415.97 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 413.98 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 66 |
experimental value |
| 71.15 |
CN_SVM-GD: SVM-GD model for cetane number (Validation set) |
| 65.52 |
CN_SVM-MD: SVM-MD model for cetane number (Validation set) |
| 61.07 |
CN_NN-MD: NN-MD model for cetane number (Validation set) |
| 61.62 |
CN_GRNN-MD: GRNN-MD model for cetane number (Validation set) |