Sec-Butyl acetate
CAS Number: 105-46-4
Molecular Mass: 116.16 g/mol
Formula: C6H12O2
Smiles: CCC(C)OC(C)=O
Melting point: -98.9 °C
Boiling point: 112.0 °C
Density: 0.8748 g/cm3
Dipole moment: 1.87 D
Refractive index: 1.3888
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 172.5860 |
| PMI2 | 380.4091 |
| PMI3 | 466.3659 |
| NPR1 | 0.3701 |
| NPR2 | 0.8157 |
| RadiusOfGyration | 2.0947 |
| InertialShapeFactor | 0.0047 |
| Eccentricity | 0.9290 |
| Asphericity | 0.2635 |
| SpherocityIndex | 0.2661 |
| PBF | 0.5766 |