Anisole
CAS Number: 100-66-3
Molecular Mass: 108.14 g/mol
Formula: C7H8O
Smiles: COc1ccccc1
Melting point: -37.3 °C
Boiling point: 457.75 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 10.759
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 298.15 | 0.9889 | 10.1021/je049610v | - |
| 303.15 | 0.9843 | 10.1021/je980104d | - |
| 308.15 | 0.9794 | 10.1021/je049610v | - |
| 313.15 | 0.9749 | 10.1021/je980104d | - |
| 323.15 | 0.9635 | 10.1021/je980104d | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 100.2544 |
| PMI2 | 323.9107 |
| PMI3 | 420.8731 |
| NPR1 | 0.2382 |
| NPR2 | 0.7696 |
| RadiusOfGyration | 1.9767 |
| InertialShapeFactor | 0.0077 |
| Eccentricity | 0.9712 |
| Asphericity | 0.4543 |
| SpherocityIndex | 0.0494 |
| PBF | 0.1129 |