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: | 1103 | |
|---|---|---|
| Name: | 5,6-dibutyldecane | |
| Description: | ||
| Labels: | Paraffins | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H38/c1-5-9-13-17(14-10-6-2)18(15-11-7-3)16-12-8-4/h17-18H,5-16H2,1-4H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 424.21 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 415.45 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 407.42 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 411.19 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 414.55 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 30 |
experimental value |
| 57.83 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 30.31 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 44.99 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 47.55 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |