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: | 722 | |
|---|---|---|
| Name: | (11Z)-(10R,13R)-dimethyldoeicos-11-ene | |
| Description: | ||
| Labels: | Olefins | |
| CAS: | ||
| InChi Code: | InChI=1S/C24H48/c1-5-7-9-11-13-15-17-19-23(3)21-22-24(4)20-18-16-14-12-10-8-6-2/h21-24H,5-20H2,1-4H3/b22-21-/t23-,24-/m1/s1 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 434.91 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 446.24 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 413.12 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 429.03 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 430.81 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 56 |
experimental value |
| 55.74 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 55.63 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 53.73 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 55.71 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |