Ethyl acetate
CAS Number: 141-78-6
Molecular Mass: 88.11 g/mol
Formula: C4H8O2
Smiles: O=C(OCC)C
Melting point: -83.7 °C
Boiling point: 77.1 °C
Density: 0.9003 g/cm3
Dipole moment: 1.78 D
Refractive index: 1.3723
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.9245 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 0.9126 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.9006 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.8884 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.8759 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.8632 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.8503 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.837 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.8234 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.8095 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.7952 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 69.7636 |
| PMI2 | 217.5621 |
| PMI3 | 246.8895 |
| NPR1 | 0.2826 |
| NPR2 | 0.8812 |
| RadiusOfGyration | 1.7412 |
| InertialShapeFactor | 0.0126 |
| Eccentricity | 0.9592 |
| Asphericity | 0.3790 |
| SpherocityIndex | 0.3238 |
| PBF | 0.6180 |