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: | 1145 | |
|---|---|---|
| Name: | n-eicosane | |
| Description: | ||
| Labels: | Paraffins | |
| CAS: | ||
| InChi Code: | InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 449.41 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 452.71 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 408.78 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 435.25 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 436.54 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 110 |
experimental value |
| 109.74 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 109.83 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 107.59 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 88.03 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1025227 | US EPA CompTox Dashboard |