Hexane
CAS Number: 110-54-3
Molecular Mass: 86.18 g/mol
Formula: C6H14
Smiles: CCCCCC
Melting point: -94.3 °C
Boiling point: 68.7 °C
Density: 0.6606 g/cm3
Dipole moment: 0.08 D
Refractive index: 1.3727
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.6774 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 0.6685 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.6594 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.6502 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.6407 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.6311 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.6212 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.6111 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.6006 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.5899 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.5789 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 35.1526 |
| PMI2 | 435.5735 |
| PMI3 | 451.8173 |
| NPR1 | 0.0778 |
| NPR2 | 0.9640 |
| RadiusOfGyration | 2.3136 |
| InertialShapeFactor | 0.0274 |
| Eccentricity | 0.9970 |
| Asphericity | 0.7854 |
| SpherocityIndex | 0.1985 |
| PBF | 0.5305 |