1-Octanol
CAS Number: 111-87-5
Molecular Mass: 130.23 g/mol
Formula: C8H18O
Smiles: OCCCCCCCC
Melting point: -14.8 °C
Boiling point: 194.7 °C
Density: 0.827 g/cm3
Dipole moment: - D
Refractive index: 1.4205
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 283.15 | 0.83211 | Dávila M. J. et al. PρT measurements and derived properties of liquid 1-alkanols // The Journal of Chemical Thermodynamics. – 2012. – V. 47. – P. 241-259. DOI: https://doi.org/10.1016/j.jct.2011.10.023 | - |
| 288.15 | 0.82871 | Dávila M. J. et al. PρT measurements and derived properties of liquid 1-alkanols // The Journal of Chemical Thermodynamics. – 2012. – V. 47. – P. 241-259. DOI: https://doi.org/10.1016/j.jct.2011.10.023 | - |
| 293.15 | 0.82513 | Dávila M. J. et al. PρT measurements and derived properties of liquid 1-alkanols // The Journal of Chemical Thermodynamics. – 2012. – V. 47. – P. 241-259. DOI: https://doi.org/10.1016/j.jct.2011.10.023 | - |
| 298.15 | 0.82221 | Dávila M. J. et al. PρT measurements and derived properties of liquid 1-alkanols // The Journal of Chemical Thermodynamics. – 2012. – V. 47. – P. 241-259. DOI: https://doi.org/10.1016/j.jct.2011.10.023 | - |
| 303.15 | 0.81835 | Dávila M. J. et al. PρT measurements and derived properties of liquid 1-alkanols // The Journal of Chemical Thermodynamics. – 2012. – V. 47. – P. 241-259. DOI: https://doi.org/10.1016/j.jct.2011.10.023 | - |
| 308.15 | 0.81468 | Dávila M. J. et al. PρT measurements and derived properties of liquid 1-alkanols // The Journal of Chemical Thermodynamics. – 2012. – V. 47. – P. 241-259. DOI: https://doi.org/10.1016/j.jct.2011.10.023 | - |
| 313.15 | 0.81117 | Dávila M. J. et al. PρT measurements and derived properties of liquid 1-alkanols // The Journal of Chemical Thermodynamics. – 2012. – V. 47. – P. 241-259. DOI: https://doi.org/10.1016/j.jct.2011.10.023 | - |
| 318.15 | 0.80769 | Dávila M. J. et al. PρT measurements and derived properties of liquid 1-alkanols // The Journal of Chemical Thermodynamics. – 2012. – V. 47. – P. 241-259. DOI: https://doi.org/10.1016/j.jct.2011.10.023 | - |
| 323.15 | 0.80419 | Dávila M. J. et al. PρT measurements and derived properties of liquid 1-alkanols // The Journal of Chemical Thermodynamics. – 2012. – V. 47. – P. 241-259. DOI: https://doi.org/10.1016/j.jct.2011.10.023 | - |
| 328.15 | 0.80058 | Dávila M. J. et al. PρT measurements and derived properties of liquid 1-alkanols // The Journal of Chemical Thermodynamics. – 2012. – V. 47. – P. 241-259. DOI: https://doi.org/10.1016/j.jct.2011.10.023 | - |
| 333.15 | 0.79693 | Dávila M. J. et al. PρT measurements and derived properties of liquid 1-alkanols // The Journal of Chemical Thermodynamics. – 2012. – V. 47. – P. 241-259. DOI: https://doi.org/10.1016/j.jct.2011.10.023 | - |
| 338.15 | 0.7931 | Dávila M. J. et al. PρT measurements and derived properties of liquid 1-alkanols // The Journal of Chemical Thermodynamics. – 2012. – V. 47. – P. 241-259. DOI: https://doi.org/10.1016/j.jct.2011.10.023 | - |
| 343.15 | 0.7897 | Dávila M. J. et al. PρT measurements and derived properties of liquid 1-alkanols // The Journal of Chemical Thermodynamics. – 2012. – V. 47. – P. 241-259. DOI: https://doi.org/10.1016/j.jct.2011.10.023 | - |
| 348.15 | 0.78595 | Dávila M. J. et al. PρT measurements and derived properties of liquid 1-alkanols // The Journal of Chemical Thermodynamics. – 2012. – V. 47. – P. 241-259. DOI: https://doi.org/10.1016/j.jct.2011.10.023 | - |
| 353.15 | 0.78216 | Dávila M. J. et al. PρT measurements and derived properties of liquid 1-alkanols // The Journal of Chemical Thermodynamics. – 2012. – V. 47. – P. 241-259. DOI: https://doi.org/10.1016/j.jct.2011.10.023 | - |
| 358.15 | 0.77831 | Dávila M. J. et al. PρT measurements and derived properties of liquid 1-alkanols // The Journal of Chemical Thermodynamics. – 2012. – V. 47. – P. 241-259. DOI: https://doi.org/10.1016/j.jct.2011.10.023 | - |
| 363.15 | 0.77443 | Dávila M. J. et al. PρT measurements and derived properties of liquid 1-alkanols // The Journal of Chemical Thermodynamics. – 2012. – V. 47. – P. 241-259. DOI: https://doi.org/10.1016/j.jct.2011.10.023 | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 138.4147 |
| PMI2 | 978.8056 |
| PMI3 | 1002.7904 |
| NPR1 | 0.1380 |
| NPR2 | 0.9761 |
| RadiusOfGyration | 2.8530 |
| InertialShapeFactor | 0.0071 |
| Eccentricity | 0.9904 |
| Asphericity | 0.6470 |
| SpherocityIndex | 0.3128 |
| PBF | 0.8522 |