Ethanol
CAS Number: 64-17-5
Molecular Mass: 46.07 g/mol
Formula: C2H6O
Smiles: OCC
Melting point: -114.1 °C
Boiling point: 78.5 °C
Density: 0.7893 g/cm3
Dipole moment: 1.69 D
Refractive index: 1.36242
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.8066 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 0.7982 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.7893 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.78 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.7703 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.7602 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.7496 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.7386 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.7271 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.7151 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.7026 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 15.1812 |
| PMI2 | 52.9944 |
| PMI3 | 60.7585 |
| NPR1 | 0.2499 |
| NPR2 | 0.8722 |
| RadiusOfGyration | 1.1829 |
| InertialShapeFactor | 0.0575 |
| Eccentricity | 0.9683 |
| Asphericity | 0.4292 |
| SpherocityIndex | 0.4815 |
| PBF | 0.4737 |