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: | 802 | |
|---|---|---|
| Name: | 3,12-diethyltetradeca-3,11-diene | |
| Description: | ||
| Labels: | Olefins | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H34/c1-5-17(6-2)15-13-11-9-10-12-14-16-18(7-3)8-4/h15-16H,5-14H2,1-4H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 427.76 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 372.03 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 397.72 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 400.45 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 399.48 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 26 |
experimental value |
| 25.73 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 32.13 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 27.6 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 39.9 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |