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: | 612 | |
|---|---|---|
| Name: | 1-methyl-3-dodecylcyclohexane | |
| Description: | ||
| Labels: | Naphtenes | |
| CAS: | ||
| InChi Code: | InChI=1S/C19H38/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-13-14-18(2)17-19/h18-19H,3-17H2,1-2H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 464.66 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 437.53 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 426.02 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 428.61 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 439.21 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 70 |
experimental value |
| 66.85 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 69.69 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 70.69 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 60.41 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |