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: | 651 | |
|---|---|---|
| Name: | 4-methyl-4-decalylheptane | |
| Description: | ||
| Labels: | Naphtenes | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H34/c1-4-13-18(3,14-5-2)17-12-8-10-15-9-6-7-11-16(15)17/h15-17H,4-14H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 472.33 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 408.29 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 418.08 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 414.67 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 428.35 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 21 |
experimental value |
| 20.83 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 20.81 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 21.56 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 31.36 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |