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: | 901 | |
|---|---|---|
| Name: | (7R,8S)-dimethyltetradecane | |
| Description: | ||
| Labels: | Paraffins | |
| CAS: | ||
| InChi Code: | InChI=1S/C16H34/c1-5-7-9-11-13-15(3)16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3/t15-,16+ |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 346.18 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 389.82 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 391.03 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 391.49 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 379.62 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 40 |
experimental value |
| 54.19 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 42.52 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 48.7 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 43.48 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |