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: | 202 | |
|---|---|---|
| Name: | 2-octylnaphthalene | |
| Description: | ||
| Labels: | Aromatics | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H24/c1-2-3-4-5-6-7-10-16-13-14-17-11-8-9-12-18(17)15-16/h8-9,11-15H,2-7,10H2,1H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 417.04 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 413.77 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 422.06 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 428.15 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 420.26 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 18 |
experimental value |
| 14.38 |
CN_SVM-GD: SVM-GD model for cetane number (Test set) |
| 9.63 |
CN_SVM-MD: SVM-MD model for cetane number (Test set) |
| 18.87 |
CN_NN-MD: NN-MD model for cetane number (Test set) |
| 10.93 |
CN_GRNN-MD: GRNN-MD model for cetane number (Test set) |