Ethyl butyrate
CAS Number: 105-54-4
Molecular Mass: 116.16 g/mol
Formula: C6H12O2
Smiles: CCCC(=O)OCC
Melting point: -93.3 °C
Boiling point: 120.5 °C
Density: 0.8735 g/cm3
Dipole moment: 1.85 D
Refractive index: 1.3898
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 |