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: | 497 | |
|---|---|---|
| Name: | methyl (2E,4E)-hexa-2,4-dienoate | |
| Description: | ||
| Labels: | Esters | |
| CAS: | ||
| InChi Code: | InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+ |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 320.44 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 332.13 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 323.1 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 323.94 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 324.91 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 6 |
experimental value |
| 6.27 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 5.78 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 5.48 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 30.84 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |