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: | 207 | |
|---|---|---|
| Name: | 2,2-diphenylpropane | |
| Description: | ||
| Labels: | Aromatics | |
| CAS: | ||
| InChi Code: | InChI=1S/C15H16/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 383.15 |
experimental value |
| 406.84 |
FP_PLS-MD: PLS-MD model for flash point (Training set) |
| 402.21 |
FP_SVM-GD: SVM-GD model for flash point (Training set) |
| 399.96 |
FP_NN-MD: NN-MD model for flash point (Training set) |
| 400.55 |
FP_NN-GD: NN-GD model for flash point (Training set) |
| 402.39 |
FP_consensus: Consensus model for flash point (Training set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| -5.82 |
CN_SVM-GD: SVM-GD model for cetane number (Prediction set) |
| 6.9 |
CN_SVM-MD: SVM-MD model for cetane number (Prediction set) |
| -10.14 |
CN_NN-MD: NN-MD model for cetane number (Prediction set) |
| 9.89 |
CN_GRNN-MD: GRNN-MD model for cetane number (Prediction set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8047892 | US EPA CompTox Dashboard |