Propionic Acid
CAS Number: 79-09-4
Molecular Mass: 74.08 g/mol
Formula: C3H6O2
Smiles: CCC(=O)O
Melting point: -20.7 °C
Boiling point: 141.15 °C
Density: 0.98797 g/cm3
Dipole moment: 0.63 D
Refractive index: 1.3869
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 293.15 | 0.99333 | 10.1016/j.jct.2012.07.019 | - |
| 298.15 | 0.98794 | 10.1016/j.jct.2012.07.019 | - |
| 303.15 | 0.98254 | 10.1016/j.jct.2012.07.019 | - |
| 308.15 | 0.97714 | 10.1016/j.jct.2012.07.019 | - |
| 313.15 | 0.97175 | 10.1016/j.jct.2012.07.019 | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 49.8354 |
| PMI2 | 131.5555 |
| PMI3 | 175.0260 |
| NPR1 | 0.2847 |
| NPR2 | 0.7516 |
| RadiusOfGyration | 1.5510 |
| InertialShapeFactor | 0.0151 |
| Eccentricity | 0.9586 |
| Asphericity | 0.3816 |
| SpherocityIndex | 0.2463 |
| PBF | 0.3231 |