tert-Butyl methyl ether
CAS Number: 1634-04-4
Molecular Mass: 88.15 g/mol
Formula: C5H12O
Smiles: O(C)C(C)(C)C
Melting point: -108.6 °C
Boiling point: 55.0 °C
Density: 0.7405 g/cm3
Dipole moment: - D
Refractive index: 1.3664
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.758 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 0.75 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.742 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.734 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.726 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.718 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.71 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.702 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.694 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.686 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.678 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 114.6100 |
| PMI2 | 186.7052 |
| PMI3 | 187.6021 |
| NPR1 | 0.6109 |
| NPR2 | 0.9952 |
| RadiusOfGyration | 1.6653 |
| InertialShapeFactor | 0.0087 |
| Eccentricity | 0.7917 |
| Asphericity | 0.0881 |
| SpherocityIndex | 0.6824 |
| PBF | 0.8424 |