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: | 636 | |
|---|---|---|
| Name: | 2-methyl-2-decalyldecane | |
| Description: | ||
| Labels: | Naphtenes | |
| CAS: | ||
| InChi Code: | InChI=1S/C21H40/c1-4-5-6-7-8-11-17-21(2,3)20-16-12-14-18-13-9-10-15-19(18)20/h18-20H,4-17H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 485.4 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 426.54 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 438.41 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 443.5 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 448.47 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 37 |
experimental value |
| 16.96 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 26.72 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 31.52 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 40.68 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |