Methyl acetate
CAS Number: 79-20-9
Molecular Mass: 74.08 g/mol
Formula: C3H6O2
Smiles: O=C(OC)C
Melting point: -98.0 °C
Boiling point: 56.8 °C
Density: 0.9342 g/cm3
Dipole moment: 1.72 D
Refractive index: 1.3614
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.9606 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 0.9478 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.9346 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.9211 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.9074 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.8933 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.8789 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.8643 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.8494 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.8343 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.8176 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 50.6102 |
| PMI2 | 120.7419 |
| PMI3 | 164.8225 |
| NPR1 | 0.3071 |
| NPR2 | 0.7326 |
| RadiusOfGyration | 1.5063 |
| InertialShapeFactor | 0.0145 |
| Eccentricity | 0.9517 |
| Asphericity | 0.3523 |
| SpherocityIndex | 0.2140 |
| PBF | 0.3272 |