Butyl Lactate
CAS Number: 138-22-7
Molecular Mass: 146.18 g/mol
Formula: C7H14O3
Smiles: CCCCOC(=O)C(C)O
Melting point: -28.0 °C
Boiling point: 186.0 °C
Density: 0.984 g/cm3
Dipole moment: - D
Refractive index: 1.418
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 178.9871 |
| PMI2 | 952.1676 |
| PMI3 | 1025.7277 |
| NPR1 | 0.1745 |
| NPR2 | 0.9283 |
| RadiusOfGyration | 2.7161 |
| InertialShapeFactor | 0.0052 |
| Eccentricity | 0.9847 |
| Asphericity | 0.5676 |
| SpherocityIndex | 0.2215 |
| PBF | 0.6741 |