Chlorobenzene
CAS Number: 108-90-7
Molecular Mass: 112.55 g/mol
Formula: C6H5Cl
Smiles: ClC=1C=CC=CC1
Melting point: -45.3 °C
Boiling point: 131.7 °C
Density: 1.1058 g/cm3
Dipole moment: - D
Refractive index: 1.5241
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 1.127 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 1.116 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 1.106 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 1.096 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 1.085 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 1.074 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 1.063 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 1.053 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 1.042 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 1.03 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 1.019 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 88.9811 |
| PMI2 | 322.4030 |
| PMI3 | 411.3841 |
| NPR1 | 0.2163 |
| NPR2 | 0.7837 |
| RadiusOfGyration | 1.9118 |
| InertialShapeFactor | 0.0088 |
| Eccentricity | 0.9763 |
| Asphericity | 0.4915 |
| SpherocityIndex | 0.0000 |
| PBF | 0.0000 |