Acetic acid
CAS Number: 64-19-7
Molecular Mass: 60.05 g/mol
Formula: C2H4O2
Smiles: O=C(O)C
Melting point: 16.6 °C
Boiling point: 118.5 °C
Density: 1.0446 g/cm3
Dipole moment: 1.74 D
Refractive index: 1.37
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 293.15 | 1.051 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 1.038 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 1.025 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 1.012 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.9993 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.9861 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.9728 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.9592 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.9454 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 43.9915 |
| PMI2 | 53.6988 |
| PMI3 | 94.4356 |
| NPR1 | 0.4658 |
| NPR2 | 0.5686 |
| RadiusOfGyration | 1.2648 |
| InertialShapeFactor | 0.0129 |
| Eccentricity | 0.8849 |
| Asphericity | 0.2329 |
| SpherocityIndex | 0.2433 |
| PBF | 0.2246 |