Isoamyl Acetate
CAS Number: 123-92-2
Molecular Mass: 130.18 g/mol
Formula: C7H14O2
Smiles: CC(=O)OCCC(C)C
Melting point: 505.2 °C
Boiling point: 404.4 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 10.7
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 135.7738 |
| PMI2 | 695.5237 |
| PMI3 | 770.6256 |
| NPR1 | 0.1762 |
| NPR2 | 0.9025 |
| RadiusOfGyration | 2.4804 |
| InertialShapeFactor | 0.0066 |
| Eccentricity | 0.9844 |
| Asphericity | 0.5627 |
| SpherocityIndex | 0.2354 |
| PBF | 0.6470 |