Octyl Acetate
CAS Number: 112-14-1
Molecular Mass: 172.26 g/mol
Formula: C11H22O2
Smiles: CCCCCCCCCOC(C)=O
Melting point: -38.5 °C
Boiling point: 208.0 °C
Density: 0.866 g/cm3
Dipole moment: 1.84 D
Refractive index: 1.42
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 219.8647 |
| PMI2 | 2780.3792 |
| PMI3 | 2882.8870 |
| NPR1 | 0.0763 |
| NPR2 | 0.9644 |
| RadiusOfGyration | 3.9736 |
| InertialShapeFactor | 0.0044 |
| Eccentricity | 0.9971 |
| Asphericity | 0.7892 |
| SpherocityIndex | 0.1023 |
| PBF | 0.5829 |