Propyl acetate
CAS Number: 109-60-4
Molecular Mass: 102.13 g/mol
Formula: C5H10O2
Smiles: O=C(OCCC)C
Melting point: -93.0 °C
Boiling point: 101.5 °C
Density: 0.882 g/cm3
Dipole moment: - D
Refractive index: 1.3844
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.9101 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 0.8994 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.8885 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.8775 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.8662 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.8548 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.8432 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.8313 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.8192 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.8069 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.7942 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 103.4765 |
| PMI2 | 325.3963 |
| PMI3 | 357.0613 |
| NPR1 | 0.2898 |
| NPR2 | 0.9113 |
| RadiusOfGyration | 1.9615 |
| InertialShapeFactor | 0.0088 |
| Eccentricity | 0.9571 |
| Asphericity | 0.3709 |
| SpherocityIndex | 0.3042 |
| PBF | 0.6106 |