1-Propanol
CAS Number: 71-23-8
Molecular Mass: 60.1 g/mol
Formula: C3H8O
Smiles: OCCC
Melting point: -127.1 °C
Boiling point: 97.2 °C
Density: 0.8053 g/cm3
Dipole moment: 1.68 D
Refractive index: 1.3862
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.8252 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 0.8151 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.8048 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.7943 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.7837 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.7729 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.7619 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.7506 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.7391 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.7273 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.7152 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 19.0056 |
| PMI2 | 132.5194 |
| PMI3 | 142.0592 |
| NPR1 | 0.1338 |
| NPR2 | 0.9328 |
| RadiusOfGyration | 1.5629 |
| InertialShapeFactor | 0.0491 |
| Eccentricity | 0.9910 |
| Asphericity | 0.6525 |
| SpherocityIndex | 0.3400 |
| PBF | 0.4423 |