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: | 754 | |
|---|---|---|
| Name: | (5E)-5-butyldodec-4-ene | |
| Description: | ||
| Labels: | Olefins | |
| CAS: | ||
| InChi Code: | InChI=1S/C16H32/c1-4-7-10-11-12-15-16(13-8-5-2)14-9-6-3/h13H,4-12,14-15H2,1-3H3/b16-13+ |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 402.75 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 387.5 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 387.22 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 392.63 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 392.52 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 45 |
experimental value |
| 45.26 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 44.64 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 46.84 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 43.83 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |