Ethyl ketone
CAS Number: 96-22-0
Molecular Mass: 86.13 g/mol
Formula: C5H10O
Smiles: CCC(=O)CC
Melting point: -39.0 °C
Boiling point: 101.7 °C
Density: 0.8159 g/cm3
Dipole moment: - D
Refractive index: 1.3905
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 78.7902 |
| PMI2 | 232.9801 |
| PMI3 | 273.9245 |
| NPR1 | 0.2876 |
| NPR2 | 0.8505 |
| RadiusOfGyration | 1.8439 |
| InertialShapeFactor | 0.0108 |
| Eccentricity | 0.9577 |
| Asphericity | 0.3704 |
| SpherocityIndex | 0.3419 |
| PBF | 0.5615 |