Isopropanol
CAS Number: 67-63-0
Molecular Mass: 60.1 g/mol
Formula: C3H8O
Smiles: OC(C)C
Melting point: -88.5 °C
Boiling point: 82.3 °C
Density: 0.78509 g/cm3
Dipole moment: 1.66 D
Refractive index: 1.3776
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.8092 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 0.7982 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.7869 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.7755 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.7638 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.7519 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.7397 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.7274 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.7143 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.7011 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.6876 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 58.0608 |
| PMI2 | 62.6489 |
| PMI3 | 105.5042 |
| NPR1 | 0.5503 |
| NPR2 | 0.5938 |
| RadiusOfGyration | 1.3719 |
| InertialShapeFactor | 0.0102 |
| Eccentricity | 0.8350 |
| Asphericity | 0.1606 |
| SpherocityIndex | 0.4244 |
| PBF | 0.5022 |