Octyl Acetate
CAS Number: 112-14-1
Molecular Mass: 186.29 g/mol
Formula: C11H22O2
Smiles: CCCCCCCCCOC(C)=O
Melting point: -26.0 °C
Boiling point: 308.2 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: -0.002
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 |