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: | 215 | |
|---|---|---|
| Name: | 3-ethyl-3-(beta-naphthyl)nonane | |
| Description: | ||
| Labels: | Aromatics | |
| CAS: | ||
| InChi Code: | InChI=1S/C21H30/c1-4-7-8-11-16-21(5-2,6-3)20-15-14-18-12-9-10-13-19(18)17-20/h9-10,12-15,17H,4-8,11,16H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 511.14 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 421.09 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 439.45 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 445.52 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 454.3 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 13 |
experimental value |
| 13.68 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 12.65 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 17.85 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 13.08 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |