Isopropylethanediol
CAS Number: 109-59-1
Molecular Mass: 104.15 g/mol
Formula: C5H12O2
Smiles: CC(C)OCCO
Melting point: -60.0 °C
Boiling point: 404.4 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 10.70475
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 97.0755 |
| PMI2 | 409.3859 |
| PMI3 | 440.0278 |
| NPR1 | 0.2206 |
| NPR2 | 0.9304 |
| RadiusOfGyration | 2.1316 |
| InertialShapeFactor | 0.0096 |
| Eccentricity | 0.9754 |
| Asphericity | 0.4824 |
| SpherocityIndex | 0.3407 |
| PBF | 0.6470 |