Acetone
CAS Number: 67-64-1
Molecular Mass: 58.08 g/mol
Formula: C3H6O
Smiles: O=C(C)C
Melting point: -94.8 °C
Boiling point: 56.08 °C
Density: 0.791 g/cm3
Dipole moment: 2.88 D
Refractive index: 1.3588
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.8129 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 0.8016 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.7902 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.7785 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.7666 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.7545 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.7421 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.7293 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.7163 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.7029 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.689 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 50.0175 |
| PMI2 | 58.9606 |
| PMI3 | 102.5001 |
| NPR1 | 0.4880 |
| NPR2 | 0.5752 |
| RadiusOfGyration | 1.3493 |
| InertialShapeFactor | 0.0115 |
| Eccentricity | 0.8729 |
| Asphericity | 0.2115 |
| SpherocityIndex | 0.3260 |
| PBF | 0.3585 |