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: | 1122 | |
|---|---|---|
| Name: | 7-butyltridecane | |
| Description: | ||
| Labels: | Paraffins | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H36/c1-4-7-10-12-15-17(14-9-6-3)16-13-11-8-5-2/h17H,4-16H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 366.99 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 411.06 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 404.06 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 406.87 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 397.24 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 70 |
experimental value |
| 67.56 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 60.75 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 58.59 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 60.99 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |