Cyclohexanone
CAS Number: 108-94-1
Molecular Mass: 98.14 g/mol
Formula: C6H10O
Smiles: O=C1CCCCC1
Melting point: -47.0 °C
Boiling point: 155.43 °C
Density: 0.9421 g/cm3
Dipole moment: - D
Refractive index: 1.4507
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 298.15 | 0.942 | 10.1021/je9802266 | - |
| 303.15 | 0.9374 | 10.1021/je9802266 | - |
| 308.15 | 0.9328 | 10.1021/je9802266 | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 119.3926 |
| PMI2 | 201.3537 |
| PMI3 | 289.0637 |
| NPR1 | 0.4130 |
| NPR2 | 0.6966 |
| RadiusOfGyration | 1.7626 |
| InertialShapeFactor | 0.0058 |
| Eccentricity | 0.9107 |
| Asphericity | 0.2323 |
| SpherocityIndex | 0.4048 |
| PBF | 0.5577 |