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: | 244 | |
|---|---|---|
| Name: | n-decylbenzene | |
| Description: | ||
| Labels: | Aromatics | |
| CAS: | ||
| InChi Code: | InChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 380 |
experimental value |
| 390.58 |
FP_PLS-MD: PLS-MD model for flash point (Training set) |
| 392.26 |
FP_SVM-GD: SVM-GD model for flash point (Training set) |
| 396.09 |
FP_NN-MD: NN-MD model for flash point (Training set) |
| 402.61 |
FP_NN-GD: NN-GD model for flash point (Training set) |
| 395.38 |
FP_consensus: Consensus model for flash point (Training set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 56.81 |
CN_SVM-GD: SVM-GD model for cetane number (Prediction set) |
| 55.45 |
CN_SVM-MD: SVM-MD model for cetane number (Prediction set) |
| 53.29 |
CN_NN-MD: NN-MD model for cetane number (Prediction set) |
| 40.37 |
CN_GRNN-MD: GRNN-MD model for cetane number (Prediction set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5051529 | US EPA CompTox Dashboard |