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: | 755 | |
|---|---|---|
| Name: | (6E)-2,6,7-trimethyltridec-2,6-diene | |
| Description: | ||
| Labels: | Olefins | |
| CAS: | ||
| InChi Code: | InChI=1S/C16H30/c1-6-7-8-9-12-15(4)16(5)13-10-11-14(2)3/h11H,6-10,12-13H2,1-5H3/b16-15+ |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 396.28 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 344.56 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 384.84 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 377.77 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 375.86 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 24 |
experimental value |
| 24.26 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 23.72 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 27.55 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 33.96 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |