Diethyl ether
CAS Number: 60-29-7
Molecular Mass: 74.12 g/mol
Formula: C4H10O
Smiles: O(CC)CC
Melting point: -116.3 °C
Boiling point: 34.5 °C
Density: 0.7134 g/cm3
Dipole moment: 1.15 D
Refractive index: 1.3526
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.7368 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 0.7254 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.7137 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.7018 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.6896 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.677 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.6639 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.6505 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.6366 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.622 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.6068 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 37.4465 |
| PMI2 | 203.0632 |
| PMI3 | 215.0723 |
| NPR1 | 0.1741 |
| NPR2 | 0.9442 |
| RadiusOfGyration | 1.7530 |
| InertialShapeFactor | 0.0252 |
| Eccentricity | 0.9847 |
| Asphericity | 0.5697 |
| SpherocityIndex | 0.2999 |
| PBF | 0.6081 |