1-Dodecanol
CAS Number: 112-53-8
Molecular Mass: 186.33 g/mol
Formula: C12H26O
Smiles: CCCCCCCCCCCCO
Melting point: 24.0 °C
Boiling point: 259.0 °C
Density: 0.8309 g/cm3
Dipole moment: - D
Refractive index: 1.44
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 171.1286 |
| PMI2 | 3334.9276 |
| PMI3 | 3397.4323 |
| NPR1 | 0.0504 |
| NPR2 | 0.9816 |
| RadiusOfGyration | 4.3040 |
| InertialShapeFactor | 0.0057 |
| Eccentricity | 0.9987 |
| Asphericity | 0.8570 |
| SpherocityIndex | 0.0999 |
| PBF | 0.6322 |