Toluene
CAS Number: 108-88-3
Molecular Mass: 92.14 g/mol
Formula: C7H8
Smiles: C=1C=CC(=CC1)C
Melting point: -94.9 °C
Boiling point: 110.6 °C
Density: 0.8623 g/cm3
Dipole moment: 0.375 D
Refractive index: 1.4967
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.8846 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 0.8757 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.8667 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.8576 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.8483 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.8389 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.8294 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.8197 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.8098 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.7996 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.7896 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 91.8162 |
| PMI2 | 199.2856 |
| PMI3 | 287.8726 |
| NPR1 | 0.3189 |
| NPR2 | 0.6923 |
| RadiusOfGyration | 1.7725 |
| InertialShapeFactor | 0.0075 |
| Eccentricity | 0.9478 |
| Asphericity | 0.3451 |
| SpherocityIndex | 0.0602 |
| PBF | 0.1411 |