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: | 173 | |
|---|---|---|
| Name: | 1,2-diphenylbenzene | |
| Description: | ||
| Labels: | Aromatics | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H14/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1-14H |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 436 |
experimental value |
| 465.42 |
FP_PLS-MD: PLS-MD model for flash point (Training set) |
| 462.2 |
FP_SVM-GD: SVM-GD model for flash point (Training set) |
| 436.49 |
FP_NN-MD: NN-MD model for flash point (Training set) |
| 457.93 |
FP_NN-GD: NN-GD model for flash point (Training set) |
| 455.51 |
FP_consensus: Consensus model for flash point (Training set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 8.21 |
CN_SVM-GD: SVM-GD model for cetane number (Prediction set) |
| 9.73 |
CN_SVM-MD: SVM-MD model for cetane number (Prediction set) |
| -8.48 |
CN_NN-MD: NN-MD model for cetane number (Prediction set) |
| 11 |
CN_GRNN-MD: GRNN-MD model for cetane number (Prediction set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1049697 | US EPA CompTox Dashboard |