Database Results
Page 1 of 1850 compounds
n-heptane
n-AlkanesCAS Number
142-82-5
SMILES String
CCCCCCC
Chemical Properties
| Property | Measured | Predicted |
|---|---|---|
| Research Octane Number (-) | 0 | 0.1564 |
| Motor Octane Number (-) | 0 | 1.649 |
| Cetane Number (-) | 53.8 | 51.95 |
| Derived Cetane Number (-) | 53.8 | 54.32 |
| Yield Sooting Index (-) | 36 | 32.23 |
| Upper Flammability Limit (vol.%) | 7 | 7.175 |
| Lower Flammability Limit (vol.%) | 1.05 | 1.15 |
| Lower Heating Value (kJ/mol) | -4465 | -4544 |
Physical Properties
| Property | Measured | Predicted |
|---|---|---|
| Density (g/cm3@15~30°C) | 0.6795 | 0.6808 |
| Boiling Point (°C) | 98.38 | 120.8 |
| Melting Point (°C) | -90.55 | -80.16 |
| Viscosity (mPa*s@20°C) | 0.418 | 0.4556 |
| Enthalpy of Vaporization (kJ/mol@25°C) | 36.57 | 36.84 |
| Standard Enthalpy of Formation (kJ/mol@25°C) | -187.7 | -187.3 |
| Vapor Pressure (kPa@25°C) | 6.09 | 6.647 |
| Surface Tension (dyne/cm@25°C) | 19.78 | 19.18 |
| Flash Point (°C) | -4 | -7.333 |
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