2-Methyl-1-butanol
CAS Number: 137-32-6
Molecular Mass: 88.15 g/mol
Formula: C5H12O
Smiles: CCC(C)CO
Melting point: -56.7 °C
Boiling point: 444.0 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 1.7051
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 93.5946 |
| PMI2 | 230.6500 |
| PMI3 | 270.4337 |
| NPR1 | 0.3461 |
| NPR2 | 0.8529 |
| RadiusOfGyration | 1.8366 |
| InertialShapeFactor | 0.0091 |
| Eccentricity | 0.9382 |
| Asphericity | 0.2920 |
| SpherocityIndex | 0.4258 |
| PBF | 0.6623 |