Dioctyl Adipate
CAS Number: 123-79-5
Molecular Mass: 370.6 g/mol
Formula: C22H42O4
Smiles: CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC
Melting point: 7.49 °C
Boiling point: 173.0 °C
Density: 0.985 g/cm3
Dipole moment: - D
Refractive index: 1.45
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1974.8696 |
| PMI2 | 8087.9777 |
| PMI3 | 8886.8042 |
| NPR1 | 0.2222 |
| NPR2 | 0.9101 |
| RadiusOfGyration | 5.0565 |
| InertialShapeFactor | 0.0005 |
| Eccentricity | 0.9750 |
| Asphericity | 0.4778 |
| SpherocityIndex | 0.1863 |
| PBF | 1.1252 |