2,2,4-Trimethylpentane
CAS Number: 540-84-1
Molecular Mass: 114.23 g/mol
Formula: C8H18
Smiles: CCC(C)(C)C(C)C
Melting point: -107.38 °C
Boiling point: 99.238 °C
Density: 0.69194 g/cm3
Dipole moment: 0.0 D
Refractive index: 1.39157
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 225.5967 |
| PMI2 | 316.9223 |
| PMI3 | 374.1280 |
| NPR1 | 0.6030 |
| NPR2 | 0.8471 |
| RadiusOfGyration | 2.0031 |
| InertialShapeFactor | 0.0038 |
| Eccentricity | 0.7977 |
| Asphericity | 0.0802 |
| SpherocityIndex | 0.6560 |
| PBF | 0.9718 |