1-Hexene
CAS Number: 592-41-6
Molecular Mass: 84.16 g/mol
Formula: C6H12
Smiles: C=CCCCC
Melting point: -139.8 °C
Boiling point: 63.4 °C
Density: 0.6732 g/cm3
Dipole moment: - D
Refractive index: 1.3837
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 38.4830 |
| PMI2 | 397.8202 |
| PMI3 | 404.9518 |
| NPR1 | 0.0950 |
| NPR2 | 0.9824 |
| RadiusOfGyration | 2.2356 |
| InertialShapeFactor | 0.0255 |
| Eccentricity | 0.9955 |
| Asphericity | 0.7446 |
| SpherocityIndex | 0.2609 |
| PBF | 0.6157 |