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: | 142 | |
|---|---|---|
| Name: | (2E)-phenylundec-2-ene | |
| Description: | ||
| Labels: | Aromatics | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H26/c1-3-4-5-6-7-8-10-13-16(2)17-14-11-9-12-15-17/h9,11-15H,3-8,10H2,1-2H3/b16-13+ |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 394.65 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 404.8 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 402.45 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 407.75 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 402.41 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 23 |
experimental value |
| 23.28 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 22.85 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 26.44 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 18.76 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |