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: | 997 | |
|---|---|---|
| Name: | 2,9-dimethyl-5,6-diisoamyldecane | |
| Description: | ||
| Labels: | Paraffins | |
| CAS: | ||
| InChi Code: | InChI=1S/C22H46/c1-17(2)9-13-21(14-10-18(3)4)22(15-11-19(5)6)16-12-20(7)8/h17-22H,9-16H2,1-8H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 501.96 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 426.1 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 436.58 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 426.29 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 447.71 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 48 |
experimental value |
| 7.86 |
CN_SVM-GD: SVM-GD model for cetane number (Validation set) |
| 28.05 |
CN_SVM-MD: SVM-MD model for cetane number (Validation set) |
| 55.09 |
CN_NN-MD: NN-MD model for cetane number (Validation set) |
| 55.94 |
CN_GRNN-MD: GRNN-MD model for cetane number (Validation set) |