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: | 635 | |
|---|---|---|
| Name: | 2-methyl-2-cyclohexylpentadecane | |
| Description: | ||
| Labels: | Naphtenes | |
| CAS: | ||
| InChi Code: | InChI=1S/C22H44/c1-4-5-6-7-8-9-10-11-12-13-17-20-22(2,3)21-18-15-14-16-19-21/h21H,4-20H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 461.33 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 450.48 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 445.06 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 454.22 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 452.78 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 45 |
experimental value |
| 65.54 |
CN_SVM-GD: SVM-GD model for cetane number (Validation set) |
| 39.42 |
CN_SVM-MD: SVM-MD model for cetane number (Validation set) |
| 46.57 |
CN_NN-MD: NN-MD model for cetane number (Validation set) |
| 56.29 |
CN_GRNN-MD: GRNN-MD model for cetane number (Validation set) |