1-Chlorooctane
CAS Number: 111-85-3
Molecular Mass: 148.67 g/mol
Formula: C8H17Cl
Smiles: CCCCCCCCCl
Melting point: -57.8 °C
Boiling point: 470.75 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 10.71525
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 196.8381 |
| PMI2 | 1271.0695 |
| PMI3 | 1376.7257 |
| NPR1 | 0.1430 |
| NPR2 | 0.9233 |
| RadiusOfGyration | 3.0930 |
| InertialShapeFactor | 0.0047 |
| Eccentricity | 0.9897 |
| Asphericity | 0.6321 |
| SpherocityIndex | 0.2430 |
| PBF | 0.7624 |