Ethylbenzene
CAS Number: 100-41-4
Molecular Mass: 106.17 g/mol
Formula: C8H10
Smiles: C=1C=CC(=CC1)CC
Melting point: -94.9 °C
Boiling point: 136.2 °C
Density: 0.8626 g/cm3
Dipole moment: 0.58 D
Refractive index: 1.4959
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.8836 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 0.8753 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.8668 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.8582 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.8495 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.8407 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.8318 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.8228 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.8136 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.8043 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.7948 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 111.5085 |
| PMI2 | 343.2042 |
| PMI3 | 415.2867 |
| NPR1 | 0.2685 |
| NPR2 | 0.8264 |
| RadiusOfGyration | 2.0242 |
| InertialShapeFactor | 0.0074 |
| Eccentricity | 0.9633 |
| Asphericity | 0.3994 |
| SpherocityIndex | 0.2089 |
| PBF | 0.5087 |