Ethyl formate
CAS Number: 109-94-4
Molecular Mass: 74.08 g/mol
Formula: C3H6O2
Smiles: O=COCC
Melting point: -80.0 °C
Boiling point: 54.5 °C
Density: 0.917 g/cm3
Dipole moment: - D
Refractive index: 1.3598
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.9472 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 0.9346 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.9218 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.9087 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.8954 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.8818 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.8678 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.8535 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.8389 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.8238 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.8082 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 50.2635 |
| PMI2 | 135.2255 |
| PMI3 | 159.4717 |
| NPR1 | 0.3152 |
| NPR2 | 0.8480 |
| RadiusOfGyration | 1.5259 |
| InertialShapeFactor | 0.0169 |
| Eccentricity | 0.9490 |
| Asphericity | 0.3317 |
| SpherocityIndex | 0.4132 |
| PBF | 0.5481 |