Butyric Acid
CAS Number: 107-92-6
Molecular Mass: 88.11 g/mol
Formula: C4H8O2
Smiles: CCCC(=O)O
Melting point: 540.5 °C
Boiling point: 404.4 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 10.69955
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 293.15 | 0.9578 | 10.1016/j.jct.2012.07.019 | - |
| 298.15 | 0.9528 | 10.1016/j.jct.2012.07.019 | - |
| 303.15 | 0.9479 | 10.1016/j.jct.2012.07.019 | - |
| 308.15 | 0.9429 | 10.1016/j.jct.2012.07.019 | - |
| 313.15 | 0.9381 | 10.1016/j.jct.2012.07.019 | - |
| 318.15 | 0.9329 | 10.1021/je970005k | - |
| 323.15 | 0.9279 | 10.1021/je970005k | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 74.0675 |
| PMI2 | 227.5358 |
| PMI3 | 255.8698 |
| NPR1 | 0.2895 |
| NPR2 | 0.8893 |
| RadiusOfGyration | 1.7787 |
| InertialShapeFactor | 0.0120 |
| Eccentricity | 0.9572 |
| Asphericity | 0.3694 |
| SpherocityIndex | 0.3774 |
| PBF | 0.5423 |