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: | 259 | |
|---|---|---|
| Name: | propyltetralin | |
| Description: | ||
| Labels: | Aromatics | |
| CAS: | ||
| InChi Code: | InChI=1S/C13H18/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h3-4,7,10-11H,2,5-6,8-9H2,1H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 382.82 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 379.24 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 375.13 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 371.13 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 377.09 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 8 |
experimental value |
| 13.6 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 9.76 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 14.92 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 9.15 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |