Amyl Acetate
CAS Number: 628-63-7
Molecular Mass: 130.18 g/mol
Formula: C7H14O2
Smiles: CCCCCOC(C)=O
Melting point: -70.8 °C
Boiling point: 149.2 °C
Density: 0.8756 g/cm3
Dipole moment: - D
Refractive index: 1.4023
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 283.15 | 0.88794 | 10.1080/00319100701790689 | - |
| 288.15 | 0.8838 | 10.1080/00319100701790689 | - |
| 298.15 | 0.8738 | 10.1080/00319100701790689 | - |
| 303.15 | 0.86644 | 10.1016/0378-3812(94)80121-5 | - |
| 308.15 | 0.8601 | 10.1021/acs.jced.4c00035 | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 167.7581 |
| PMI2 | 756.9765 |
| PMI3 | 813.9483 |
| NPR1 | 0.2061 |
| NPR2 | 0.9300 |
| RadiusOfGyration | 2.5841 |
| InertialShapeFactor | 0.0055 |
| Eccentricity | 0.9785 |
| Asphericity | 0.5081 |
| SpherocityIndex | 0.2261 |
| PBF | 0.6549 |