Cyclohexane
CAS Number: 110-82-7
Molecular Mass: 84.16 g/mol
Formula: C6H12
Smiles: C1CCCCC1
Melting point: 6.47 °C
Boiling point: 80.7 °C
Density: 0.7781 g/cm3
Dipole moment: 0.0 D
Refractive index: 1.42662
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 283.15 | 0.7872 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.7784 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.7694 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.7602 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.7509 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.7414 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.7317 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.7218 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.7117 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.7013 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 115.0278 |
| PMI2 | 119.9830 |
| PMI3 | 200.0057 |
| NPR1 | 0.5751 |
| NPR2 | 0.5999 |
| RadiusOfGyration | 1.6076 |
| InertialShapeFactor | 0.0052 |
| Eccentricity | 0.8181 |
| Asphericity | 0.1443 |
| SpherocityIndex | 0.4712 |
| PBF | 0.6141 |