Diethylene Glycol Monoethyl Ether
CAS Number: 111-90-0
Molecular Mass: 134.17 g/mol
Formula: C6H14O3
Smiles: CCOCCOCCO
Melting point: -76.0 °C
Boiling point: 196.0 °C
Density: 0.9885 g/cm3
Dipole moment: - D
Refractive index: 1.4273
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 293.15 | 0.987497 | 10.1021/acs.jced.9b00959 | - |
| 298.15 | 0.983059 | 10.1021/acs.jced.9b00959 | - |
| 303.15 | 0.978598 | 10.1021/acs.jced.9b00959 | - |
| 313.15 | 0.969649 | 10.1021/acs.jced.9b00959 | - |
| 323.15 | 0.960644 | 10.1021/acs.jced.9b00959 | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 98.3318 |
| PMI2 | 1058.2602 |
| PMI3 | 1069.9797 |
| NPR1 | 0.0919 |
| NPR2 | 0.9890 |
| RadiusOfGyration | 2.8805 |
| InertialShapeFactor | 0.0101 |
| Eccentricity | 0.9958 |
| Asphericity | 0.7527 |
| SpherocityIndex | 0.1949 |
| PBF | 0.6695 |