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: | 666 | |
|---|---|---|
| Name: | cyclodecane | |
| Description: | ||
| Labels: | Naphtenes | |
| CAS: | ||
| InChi Code: | InChI=1S/C10H20/c1-2-4-6-8-10-9-7-5-3-1/h1-10H2 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 338 |
experimental value |
| 327.54 |
FP_PLS-MD: PLS-MD model for flash point (Validation set) |
| 340.53 |
FP_SVM-GD: SVM-GD model for flash point (Validation set) |
| 337.29 |
FP_NN-MD: NN-MD model for flash point (Validation set) |
| 343.98 |
FP_NN-GD: NN-GD model for flash point (Validation set) |
| 337.34 |
FP_consensus: Consensus model for flash point (Validation set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 49.72 |
CN_SVM-GD: SVM-GD model for cetane number (Prediction set) |
| 26.87 |
CN_SVM-MD: SVM-MD model for cetane number (Prediction set) |
| 43.14 |
CN_NN-MD: NN-MD model for cetane number (Prediction set) |
| 49.01 |
CN_GRNN-MD: GRNN-MD model for cetane number (Prediction set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7059779 | US EPA CompTox Dashboard |