Methyl ethyl ketone
CAS Number: 78-93-3
Molecular Mass: 72.11 g/mol
Formula: C4H8O
Smiles: O=C(C)CC
Melting point: -86.6 °C
Boiling point: 79.59 °C
Density: 0.805 g/cm3
Dipole moment: - D
Refractive index: 1.3788
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.8205 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 0.8126 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.8046 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.7964 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.788 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.7794 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.7706 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.7616 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.7523 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.7427 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.7329 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 53.4860 |
| PMI2 | 139.2829 |
| PMI3 | 183.1804 |
| NPR1 | 0.2920 |
| NPR2 | 0.7604 |
| RadiusOfGyration | 1.6146 |
| InertialShapeFactor | 0.0142 |
| Eccentricity | 0.9564 |
| Asphericity | 0.3695 |
| SpherocityIndex | 0.2604 |
| PBF | 0.4109 |