Butyl acetate
CAS Number: 123-86-4
Molecular Mass: 116.16 g/mol
Formula: C6H12O2
Smiles: O=C(OCCCC)C
Melting point: -78.0 °C
Boiling point: 126.0 °C
Density: 0.8825 g/cm3
Dipole moment: 1.87 D
Refractive index: 1.3941
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.902 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 0.892 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.882 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.872 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.862 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.852 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.842 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.832 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.822 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.812 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.802 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 96.9163 |
| PMI2 | 618.2625 |
| PMI3 | 641.2950 |
| NPR1 | 0.1511 |
| NPR2 | 0.9641 |
| RadiusOfGyration | 2.4164 |
| InertialShapeFactor | 0.0099 |
| Eccentricity | 0.9885 |
| Asphericity | 0.6181 |
| SpherocityIndex | 0.2027 |
| PBF | 0.6141 |