Diethyl Carbonate
CAS Number: 105-58-8
Molecular Mass: 118.13 g/mol
Formula: C5H10O3
Smiles: CCOC(=O)OCC
Melting point: -43.0 °C
Boiling point: 126.0 °C
Density: 0.9752 g/cm3
Dipole moment: 0.91 D
Refractive index: 1.3845
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 82.5501 |
| PMI2 | 547.1327 |
| PMI3 | 577.7552 |
| NPR1 | 0.1429 |
| NPR2 | 0.9470 |
| RadiusOfGyration | 2.2607 |
| InertialShapeFactor | 0.0115 |
| Eccentricity | 0.9897 |
| Asphericity | 0.6338 |
| SpherocityIndex | 0.2067 |
| PBF | 0.6671 |