1-Hexanol
CAS Number: 111-27-3
Molecular Mass: 102.17 g/mol
Formula: C6H14O
Smiles: CCCCCCO
Melting point: -46.7 °C
Boiling point: 157.0 °C
Density: 0.8153 g/cm3
Dipole moment: - D
Refractive index: 1.4162
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 288.15 | 0.82228 | 10.1021/je060179e | - |
| 293.15 | 0.8189 | 10.1021/je501133u | - |
| 298.15 | 0.8153 | 10.1021/je501133u | - |
| 303.15 | 0.8117 | 10.1021/je501133u | - |
| 308.15 | 0.8081 | 10.1021/je501133u | - |
| 313.15 | 0.8045 | 10.1021/je501133u | - |
| 318.15 | 0.8008 | 10.1021/je501133u | - |
| 323.15 | 0.7971 | 10.1021/je501133u | - |
| 328.15 | 0.7934 | 10.1021/je501133u | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 59.3570 |
| PMI2 | 567.7824 |
| PMI3 | 592.7386 |
| NPR1 | 0.1001 |
| NPR2 | 0.9579 |
| RadiusOfGyration | 2.4432 |
| InertialShapeFactor | 0.0161 |
| Eccentricity | 0.9950 |
| Asphericity | 0.7306 |
| SpherocityIndex | 0.2552 |
| PBF | 0.5933 |