Isoamyl Alcohol
CAS Number: 123-51-3
Molecular Mass: 88.15 g/mol
Formula: C5H12O
Smiles: CC(C)CCO
Melting point: -117.2 °C
Boiling point: 132.5 °C
Density: 0.8104 g/cm3
Dipole moment: 1.82 D
Refractive index: 1.4075
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 288.15 | 0.81229 | 10.1021/je5005752 | - |
| 293.15 | 0.8083 | 10.1021/je050416y | - |
| 298.15 | 0.805 | 10.1016/j.jct.2022.106815 | - |
| 303.15 | 0.801 | 10.1016/j.jct.2022.106815 | - |
| 308.15 | 0.797 | 10.1016/j.jct.2022.106815 | - |
| 313.15 | 0.793 | 10.1016/j.jct.2022.106815 | - |
| 318.15 | 0.7895 | 10.1021/je050416y | - |
| 323.15 | 0.7857 | 10.1021/je050416y | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 74.1325 |
| PMI2 | 290.6247 |
| PMI3 | 337.5342 |
| NPR1 | 0.2196 |
| NPR2 | 0.8610 |
| RadiusOfGyration | 1.9959 |
| InertialShapeFactor | 0.0116 |
| Eccentricity | 0.9756 |
| Asphericity | 0.4803 |
| SpherocityIndex | 0.3502 |
| PBF | 0.5509 |