tert-Butanol
CAS Number: 75-65-0
Molecular Mass: 74.12 g/mol
Formula: C4H10O
Smiles: OC(C)(C)C
Melting point: 25.7 °C
Boiling point: 82.4 °C
Density: 0.7886 g/cm3
Dipole moment: 1.31 D
Refractive index: 1.38468
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 303.15 | 0.786 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.78 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.774 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.768 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.762 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.756 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.75 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.744 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 106.9021 |
| PMI2 | 107.7264 |
| PMI3 | 112.4708 |
| NPR1 | 0.9505 |
| NPR2 | 0.9578 |
| RadiusOfGyration | 1.4854 |
| InertialShapeFactor | 0.0090 |
| Eccentricity | 0.3108 |
| Asphericity | 0.0010 |
| SpherocityIndex | 0.6604 |
| PBF | 0.6628 |