Database Results
Page 36 of 1850 compounds
anisole
Acyclic ethersCAS Number
100-66-3
SMILES String
COC1=CC=CC=C1
Chemical Properties
| Property | Measured | Predicted |
|---|---|---|
| Research Octane Number (-) | 103 | 104.7 |
| Motor Octane Number (-) | 92 | 87.1 |
| Cetane Number (-) | 6.2 | 9.262 |
| Derived Cetane Number (-) | - | 9.148 |
| Yield Sooting Index (-) | 107.1 | 86.19 |
| Upper Flammability Limit (vol.%) | 9 | 9.196 |
| Lower Flammability Limit (vol.%) | 1.2 | 1.223 |
| Lower Heating Value (kJ/mol) | -3607 | -3669 |
Physical Properties
| Property | Measured | Predicted |
|---|---|---|
| Density (g/cm3@15~30°C) | 0.994 | 0.9883 |
| Boiling Point (°C) | 153.6 | 167.6 |
| Melting Point (°C) | -37.5 | -26.94 |
| Viscosity (mPa*s@20°C) | 1.32 | 0.936 |
| Enthalpy of Vaporization (kJ/mol@25°C) | 46.9 | 48.69 |
| Standard Enthalpy of Formation (kJ/mol@25°C) | -69.9 | -79.47 |
| Vapor Pressure (kPa@25°C) | 0.472 | 0.6411 |
| Surface Tension (dyne/cm@25°C) | 35 | 35.28 |
| Flash Point (°C) | 52 | 51.96 |