Compound Structure

Ethyl butyrate

CAS Number: 105-54-4

Molecular Mass: 116.16 g/mol

Formula: C6H12O2

Smiles: CCCC(=O)OCC

Melting point: 500.0 °C

Boiling point: 404.4 °C

Density: - g/cm3

Dipole moment: - D

Refractive index: 13.1949

Molecule 3D descriptors

Descriptor Value
PMI1 115.6674
PMI2 486.0921
PMI3 505.9349
NPR1 0.2286
NPR2 0.9608
RadiusOfGyration 2.1836
InertialShapeFactor 0.0083
Eccentricity 0.9735
Asphericity 0.4726
SpherocityIndex 0.2717
PBF 0.6910