2-Methyl-2-butanol
CAS Number: 75-85-4
Molecular Mass: 88.15 g/mol
Formula: C5H12O
Smiles: CCC(C)(C)O
Melting point: -9.1 °C
Boiling point: 102.4 °C
Density: 0.8096 g/cm3
Dipole moment: - D
Refractive index: 1.4052
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 111.4680 |
| PMI2 | 195.1938 |
| PMI3 | 200.7084 |
| NPR1 | 0.5554 |
| NPR2 | 0.9725 |
| RadiusOfGyration | 1.6964 |
| InertialShapeFactor | 0.0087 |
| Eccentricity | 0.8316 |
| Asphericity | 0.1166 |
| SpherocityIndex | 0.5073 |
| PBF | 0.6529 |