1,1,1-Trichloroethane
CAS Number: 71-55-6
Molecular Mass: 133.4 g/mol
Formula: C2H3Cl3
Smiles: CC(Cl)(Cl)Cl
Melting point: -30.4 °C
Boiling point: 74.0 °C
Density: 1.3376 g/cm3
Dipole moment: - D
Refractive index: 1.4711
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 217.4330 |
| PMI2 | 217.4331 |
| PMI3 | 303.4984 |
| NPR1 | 0.7164 |
| NPR2 | 0.7164 |
| RadiusOfGyration | 1.6635 |
| InertialShapeFactor | 0.0033 |
| Eccentricity | 0.6977 |
| Asphericity | 0.0543 |
| SpherocityIndex | 0.7784 |
| PBF | 0.6660 |