Decalin
CAS Number: 91-17-8
Molecular Mass: 138.25 g/mol
Formula: C10H18
Smiles: C1CCC2CCCCC2C1
Melting point: -43.0 °C
Boiling point: 195.8 °C
Density: 0.8965 g/cm3
Dipole moment: - D
Refractive index: 1.481
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 216.6784 |
| PMI2 | 475.1265 |
| PMI3 | 594.8139 |
| NPR1 | 0.3643 |
| NPR2 | 0.7988 |
| RadiusOfGyration | 2.1571 |
| InertialShapeFactor | 0.0037 |
| Eccentricity | 0.9313 |
| Asphericity | 0.2708 |
| SpherocityIndex | 0.3915 |
| PBF | 0.7677 |