o-Xylene
CAS Number: 95-47-6
Molecular Mass: 106.17 g/mol
Formula: C8H10
Smiles: C=1C=CC(=C(C1)C)C
Melting point: -25.0 °C
Boiling point: 144.4 °C
Density: 0.8801 g/cm3
Dipole moment: 0.64 D
Refractive index: 1.5058
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 293.15 | 0.8801 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.8717 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.8633 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.8547 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.846 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.8372 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.8282 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.8191 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.8099 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 161.7207 |
| PMI2 | 233.4670 |
| PMI3 | 388.7415 |
| NPR1 | 0.4160 |
| NPR2 | 0.6006 |
| RadiusOfGyration | 1.9214 |
| InertialShapeFactor | 0.0037 |
| Eccentricity | 0.9094 |
| Asphericity | 0.2629 |
| SpherocityIndex | 0.0891 |
| PBF | 0.1987 |