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: | 905 | |
|---|---|---|
| Name: | (9R,10R)-dipropyloctadecane | |
| Description: | ||
| Labels: | Paraffins | |
| CAS: | ||
| InChi Code: | InChI=1S/C24H50/c1-5-9-11-13-15-17-21-23(19-7-3)24(20-8-4)22-18-16-14-12-10-6-2/h23-24H,5-22H2,1-4H3/t23-,24-/m1/s1 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 469.41 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 475.64 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 432.36 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 450.64 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 457.01 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 47 |
experimental value |
| 55.74 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 47.48 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 46.96 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 47.18 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |