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: | 845 | |
|---|---|---|
| Name: | (10R,13R)-dimethyldocosane | |
| Description: | ||
| Labels: | Paraffins | |
| CAS: | ||
| InChi Code: | InChI=1S/C24H50/c1-5-7-9-11-13-15-17-19-23(3)21-22-24(4)20-18-16-14-12-10-8-6-2/h23-24H,5-22H2,1-4H3/t23-,24-/m1/s1 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 409.88 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 475.64 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 427.25 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 450.64 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 440.85 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 56 |
experimental value |
| 55.74 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 56.23 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 59.29 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 58.59 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |