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: | 193 | |
|---|---|---|
| Name: | 1,4-dioctyltetralin | |
| Description: | ||
| Labels: | Aromatics | |
| CAS: | ||
| InChi Code: | InChI=1S/C26H44/c1-3-5-7-9-11-13-17-23-21-22-24-18-15-16-20-26(24)25(23)19-14-12-10-8-6-4-2/h15-16,18,20,23,25H,3-14,17,19,21-22H2,1-2H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 486.81 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 471.32 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 457.34 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 487.06 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 475.64 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 26 |
experimental value |
| -23.65 |
CN_SVM-GD: SVM-GD model for cetane number (Test set) |
| 33.17 |
CN_SVM-MD: SVM-MD model for cetane number (Test set) |
| 31.48 |
CN_NN-MD: NN-MD model for cetane number (Test set) |
| 37.89 |
CN_GRNN-MD: GRNN-MD model for cetane number (Test set) |