Hexyl Acetate
CAS Number: 142-92-7
Molecular Mass: 144.214 g/mol
Formula: C8H16O2
Smiles: CCCCCCOC(C)=O
Melting point: -80.9 °C
Boiling point: 171.5 °C
Density: 0.8779 g/cm3
Dipole moment: - D
Refractive index: 1.4092
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 120.9014 |
| PMI2 | 1368.7905 |
| PMI3 | 1396.5501 |
| NPR1 | 0.0866 |
| NPR2 | 0.9801 |
| RadiusOfGyration | 3.1634 |
| InertialShapeFactor | 0.0081 |
| Eccentricity | 0.9962 |
| Asphericity | 0.7647 |
| SpherocityIndex | 0.1368 |
| PBF | 0.6101 |