2-Octanol
CAS Number: 123-96-6
Molecular Mass: 130.23 g/mol
Formula: C8H18O
Smiles: CCCCCCC(C)O
Melting point: -31.6 °C
Boiling point: 179.0 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 10.7132
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 110.8406 |
| PMI2 | 1000.5766 |
| PMI3 | 1032.5368 |
| NPR1 | 0.1073 |
| NPR2 | 0.9690 |
| RadiusOfGyration | 2.8690 |
| InertialShapeFactor | 0.0087 |
| Eccentricity | 0.9942 |
| Asphericity | 0.7145 |
| SpherocityIndex | 0.2352 |
| PBF | 0.7242 |