1,4-Dioxane
CAS Number: 123-91-1
Molecular Mass: 88.11 g/mol
Formula: C4H8O2
Smiles: O1CCOCC1
Melting point: 11.8 °C
Boiling point: 101.1 °C
Density: 1.0337 g/cm3
Dipole moment: - D
Refractive index: 1.4224
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 1.045 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 1.037 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 1.033 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 1.025 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 1.017 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 1.009 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 1.001 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.993 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.985 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.977 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.969 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 100.6907 |
| PMI2 | 109.1560 |
| PMI3 | 186.7461 |
| NPR1 | 0.5392 |
| NPR2 | 0.5845 |
| RadiusOfGyration | 1.5002 |
| InertialShapeFactor | 0.0058 |
| Eccentricity | 0.8422 |
| Asphericity | 0.1716 |
| SpherocityIndex | 0.3658 |
| PBF | 0.5622 |