2-Ethylhexanol
CAS Number: 104-76-7
Molecular Mass: 130.23 g/mol
Formula: C8H18O
Smiles: CCCCC(CC)CO
Melting point: -76.0 °C
Boiling point: 184.34 °C
Density: 0.8344 g/cm3
Dipole moment: - D
Refractive index: 1.431
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 202.2287 |
| PMI2 | 689.1146 |
| PMI3 | 753.0512 |
| NPR1 | 0.2685 |
| NPR2 | 0.9151 |
| RadiusOfGyration | 2.5126 |
| InertialShapeFactor | 0.0045 |
| Eccentricity | 0.9633 |
| Asphericity | 0.4028 |
| SpherocityIndex | 0.3422 |
| PBF | 0.8486 |