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: | 254 | |
|---|---|---|
| Name: | octyltetralin | |
| Description: | ||
| Labels: | Aromatics | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H28/c1-2-3-4-5-6-7-11-16-13-10-14-17-12-8-9-15-18(16)17/h8-9,12,15-16H,2-7,10-11,13-14H2,1H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 429.43 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 432.86 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 421.14 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 433.94 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 429.35 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 18 |
experimental value |
| 18.27 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 21.78 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 25.24 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 35.29 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |