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: | 268 | |
|---|---|---|
| Name: | tetralin | |
| Description: | ||
| Labels: | Aromatics | |
| CAS: | ||
| InChi Code: | InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 350 |
experimental value |
| 340.26 |
FP_PLS-MD: PLS-MD model for flash point (Training set) |
| 348.2 |
FP_SVM-GD: SVM-GD model for flash point (Training set) |
| 338.41 |
FP_NN-MD: NN-MD model for flash point (Training set) |
| 341.78 |
FP_NN-GD: NN-GD model for flash point (Training set) |
| 342.17 |
FP_consensus: Consensus model for flash point (Training set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 13 |
experimental value |
| 12.72 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 12.77 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 13.54 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 9.2 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1026118 | US EPA CompTox Dashboard |