Compound Structure

Methyl propionate

CAS Number: 554-12-1

Molecular Mass: 88.11 g/mol

Formula: C4H8O2

Smiles: CCC(=O)OC

Melting point: 500.8 °C

Boiling point: 404.4 °C

Density: - g/cm3

Dipole moment: - D

Refractive index: 10.68875

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