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: | 255 | |
|---|---|---|
| Name: | octylxylene | |
| Description: | ||
| Labels: | Aromatics | |
| CAS: | ||
| InChi Code: | InChI=1S/C16H26/c1-4-5-6-7-8-9-12-16-13-10-11-14(2)15(16)3/h10-11,13H,4-9,12H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 405.85 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 388.23 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 397.28 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 407.47 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 399.71 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 20 |
experimental value |
| 20.28 |
CN_SVM-GD: SVM-GD model for cetane number (Test set) |
| 21.82 |
CN_SVM-MD: SVM-MD model for cetane number (Test set) |
| 25.07 |
CN_NN-MD: NN-MD model for cetane number (Test set) |
| 35.47 |
CN_GRNN-MD: GRNN-MD model for cetane number (Test set) |