Dimethyl Carbonate
CAS Number: 616-38-6
Molecular Mass: 90.08 g/mol
Formula: C3H6O3
Smiles: COC(=O)OC
Melting point: 3.0 °C
Boiling point: 90.5 °C
Density: 1.0636 g/cm3
Dipole moment: - D
Refractive index: 1.3687
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 293.15 | 1.069834 | 10.1016/j.molliq.2015.06.041 | - |
| 298.15 | 1.063247 | 10.1016/j.molliq.2015.06.041 | - |
| 303.15 | 1.056632 | 10.1016/j.molliq.2015.06.041 | - |
| 308.15 | 1.049983 | 10.1016/j.molliq.2015.06.041 | - |
| 313.15 | 1.043307 | 10.1016/j.molliq.2015.06.041 | - |
| 318.15 | 1.03659 | 10.1016/j.molliq.2015.06.041 | - |
| 323.15 | 1.029843 | 10.1016/j.molliq.2015.06.041 | - |
| 328.15 | 1.02305 | 10.1016/j.molliq.2015.06.041 | - |
| 333.15 | 1.016214 | 10.1016/j.molliq.2015.06.041 | - |
| 343.15 | 1.00232 | 10.1021/je049777o | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 49.4371 |
| PMI2 | 215.8425 |
| PMI3 | 258.7372 |
| NPR1 | 0.1911 |
| NPR2 | 0.8342 |
| RadiusOfGyration | 1.7055 |
| InertialShapeFactor | 0.0169 |
| Eccentricity | 0.9816 |
| Asphericity | 0.5342 |
| SpherocityIndex | 0.1500 |
| PBF | 0.3002 |