Diethylene Glycol Monobutyl Ether
CAS Number: 112-34-5
Molecular Mass: 162.23 g/mol
Formula: C8H18O3
Smiles: CCCCOCCOCCO
Melting point: -68.1 °C
Boiling point: 230.6 °C
Density: 0.9553 g/cm3
Dipole moment: - D
Refractive index: 1.4258
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 129.9592 |
| PMI2 | 1833.7503 |
| PMI3 | 1912.5698 |
| NPR1 | 0.0680 |
| NPR2 | 0.9588 |
| RadiusOfGyration | 3.4564 |
| InertialShapeFactor | 0.0074 |
| Eccentricity | 0.9977 |
| Asphericity | 0.8102 |
| SpherocityIndex | 0.1023 |
| PBF | 0.5347 |