2-Butoxyethanol
CAS Number: 111-76-2
Molecular Mass: 118.17 g/mol
Formula: C6H14O2
Smiles: CCCCOCCO
Melting point: -75.0 °C
Boiling point: 168.4 °C
Density: 0.9015 g/cm3
Dipole moment: 2.08 D
Refractive index: 1.4198
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 293.15 | 0.9004 | 10.1021/acs.jced.9b00364 | - |
| 298.15 | 0.8962 | 10.1021/acs.jced.9b00364 | - |
| 303.15 | 0.892 | 10.1021/acs.jced.9b00364 | - |
| 308.15 | 0.8878 | 10.1021/acs.jced.9b00364 | - |
| 313.15 | 0.8835 | 10.1021/acs.jced.9b00364 | - |
| 318.15 | 0.8792 | 10.1021/acs.jced.9b00364 | - |
| 323.15 | 0.8749 | 10.1021/acs.jced.9b00364 | - |
| 328.15 | 0.8706 | 10.1021/acs.jced.9b00364 | - |
| 333.15 | 0.8662 | 10.1021/acs.jced.9b00364 | - |
| 338.15 | 0.8618 | 10.1021/acs.jced.9b00364 | - |
| 343.15 | 0.8573 | 10.1021/acs.jced.9b00364 | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 115.2076 |
| PMI2 | 640.0082 |
| PMI3 | 684.2120 |
| NPR1 | 0.1684 |
| NPR2 | 0.9354 |
| RadiusOfGyration | 2.4678 |
| InertialShapeFactor | 0.0081 |
| Eccentricity | 0.9857 |
| Asphericity | 0.5803 |
| SpherocityIndex | 0.2867 |
| PBF | 0.7274 |