Propylene Glycol
CAS Number: 57-55-6
Molecular Mass: 76.09 g/mol
Formula: C3H8O2
Smiles: CC(O)CO
Melting point: -60.0 °C
Boiling point: 187.6 °C
Density: 1.0361 g/cm3
Dipole moment: - D
Refractive index: 1.4324
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 293.15 | 1.03654 | 10.1002/bscb.19750841112 | - |
| 298.15 | 1.03287 | 10.1002/bscb.19750841112 | - |
| 303.15 | 1.02912 | 10.1002/bscb.19750841112 | - |
| 308.15 | 1.02585 | 10.1002/bscb.19750841112 | - |
| 312.98 | 1.02216 | 10.1016/j.fluid.2017.07.006 | - |
| 313.15 | 1.02192 | 10.1002/bscb.19750841112 | - |
| 318.15 | 1.0184 | 10.1002/bscb.19750841112 | - |
| 335.78 | 1.00531 | 10.1016/j.fluid.2017.07.006 | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 75.1998 |
| PMI2 | 122.3669 |
| PMI3 | 149.2677 |
| NPR1 | 0.5038 |
| NPR2 | 0.8198 |
| RadiusOfGyration | 1.5096 |
| InertialShapeFactor | 0.0109 |
| Eccentricity | 0.8638 |
| Asphericity | 0.1402 |
| SpherocityIndex | 0.6111 |
| PBF | 0.6266 |