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: | 1123 | |
|---|---|---|
| Name: | 7-hexylpentadecane | |
| Description: | ||
| Labels: | Paraffins | |
| CAS: | ||
| InChi Code: | InChI=1S/C21H44/c1-4-7-10-13-14-17-20-21(18-15-11-8-5-2)19-16-12-9-6-3/h21H,4-20H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 379.16 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 456.91 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 418.61 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 437.59 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 423.06 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 83 |
experimental value |
| 80.77 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 69.76 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 72.63 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 80.1 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |