Isooctan-1-ol
CAS Number: 1653-40-3
Molecular Mass: 130.23 g/mol
Formula: C8H18O
Smiles: CC(C)CCCCCO
Melting point: 596.4 °C
Boiling point: 404.4 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 13.21255
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 179.3464 |
| PMI2 | 778.3772 |
| PMI3 | 877.4175 |
| NPR1 | 0.2044 |
| NPR2 | 0.8871 |
| RadiusOfGyration | 2.6544 |
| InertialShapeFactor | 0.0049 |
| Eccentricity | 0.9789 |
| Asphericity | 0.5083 |
| SpherocityIndex | 0.2968 |
| PBF | 0.7385 |