Diethylene Glycol
CAS Number: 111-46-6
Molecular Mass: 106.12 g/mol
Formula: C4H10O3
Smiles: OCCOCCO
Melting point: -10.4 °C
Boiling point: 245.8 °C
Density: 1.1197 g/cm3
Dipole moment: - D
Refractive index: 1.4472
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 73.7593 |
| PMI2 | 461.6248 |
| PMI3 | 480.9775 |
| NPR1 | 0.1534 |
| NPR2 | 0.9598 |
| RadiusOfGyration | 2.1883 |
| InertialShapeFactor | 0.0130 |
| Eccentricity | 0.9882 |
| Asphericity | 0.6131 |
| SpherocityIndex | 0.3264 |
| PBF | 0.7043 |