4-tert-Butyltoluene
CAS Number: 98-51-1
Molecular Mass: 148.24 g/mol
Formula: C11H16
Smiles: Cc1ccc(C(C)(C)C)cc1
Melting point: -52.0 °C
Boiling point: 193.0 °C
Density: 0.8612 g/cm3
Dipole moment: - D
Refractive index: 1.4918
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 201.0378 |
| PMI2 | 796.4405 |
| PMI3 | 882.4541 |
| NPR1 | 0.2278 |
| NPR2 | 0.9025 |
| RadiusOfGyration | 2.5180 |
| InertialShapeFactor | 0.0045 |
| Eccentricity | 0.9737 |
| Asphericity | 0.4676 |
| SpherocityIndex | 0.2685 |
| PBF | 0.5905 |