Methylcyclohexane
CAS Number: 108-87-2
Molecular Mass: 98.19 g/mol
Formula: C7H14
Smiles: CC1CCCCC1
Melting point: -126.6 °C
Boiling point: 101.0 °C
Density: 0.7694 g/cm3
Dipole moment: - D
Refractive index: 1.4231
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 120.5370 |
| PMI2 | 229.3068 |
| PMI3 | 316.8125 |
| NPR1 | 0.3805 |
| NPR2 | 0.7238 |
| RadiusOfGyration | 1.8425 |
| InertialShapeFactor | 0.0060 |
| Eccentricity | 0.9248 |
| Asphericity | 0.2611 |
| SpherocityIndex | 0.3508 |
| PBF | 0.5810 |