Methyl propionate
CAS Number: 554-12-1
Molecular Mass: 88.11 g/mol
Formula: C4H8O2
Smiles: CCC(=O)OC
Melting point: -88.0 °C
Boiling point: 79.0 °C
Density: 0.915 g/cm3
Dipole moment: - D
Refractive index: 1.3775
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 77.1431 |
| PMI2 | 207.5039 |
| PMI3 | 249.9251 |
| NPR1 | 0.3087 |
| NPR2 | 0.8303 |
| RadiusOfGyration | 1.7417 |
| InertialShapeFactor | 0.0108 |
| Eccentricity | 0.9512 |
| Asphericity | 0.3405 |
| SpherocityIndex | 0.2936 |
| PBF | 0.5277 |