Database Results
Page 68 of 1850 compounds
1,2,4-BUTANETRIOL
AlcoholsCAS Number
3068-00-6
SMILES String
C(CO)C(CO)O
Chemical Properties
| Property | Measured | Predicted |
|---|---|---|
| Research Octane Number (-) | - | 96.49 |
| Motor Octane Number (-) | - | 82.59 |
| Cetane Number (-) | - | 14.17 |
| Derived Cetane Number (-) | - | 11.17 |
| Yield Sooting Index (-) | - | 15.65 |
| Upper Flammability Limit (vol.%) | 13.2 | 14.48 |
| Lower Flammability Limit (vol.%) | 1.64 | 1.542 |
| Lower Heating Value (kJ/mol) | -2038 | -2166 |
Physical Properties
| Property | Measured | Predicted |
|---|---|---|
| Density (g/cm3@15~30°C) | 1.18 | 1.188 |
| Boiling Point (°C) | 190 | 201 |
| Melting Point (°C) | - | 21.12 |
| Viscosity (mPa*s@20°C) | - | 280.7 |
| Enthalpy of Vaporization (kJ/mol@25°C) | - | 101.2 |
| Standard Enthalpy of Formation (kJ/mol@25°C) | - | -683.9 |
| Vapor Pressure (kPa@25°C) | - | 2.958e-05 |
| Surface Tension (dyne/cm@25°C) | - | 36.87 |
| Flash Point (°C) | 167 | 169.5 |