1,1-Dichloroethane
CAS Number: 75-34-3
Molecular Mass: 98.96 g/mol
Formula: C2H4Cl2
Smiles: CC(Cl)Cl
Melting point: -96.9 °C
Boiling point: 57.3 °C
Density: 1.757 g/cm3
Dipole moment: 2.06 D
Refractive index: 1.4167
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 78.9801 |
| PMI2 | 158.8621 |
| PMI3 | 224.0033 |
| NPR1 | 0.3526 |
| NPR2 | 0.7092 |
| RadiusOfGyration | 1.5276 |
| InertialShapeFactor | 0.0090 |
| Eccentricity | 0.9358 |
| Asphericity | 0.2968 |
| SpherocityIndex | 0.5620 |
| PBF | 0.5563 |