Propyl formate
CAS Number: 110-74-7
Molecular Mass: 88.11 g/mol
Formula: C4H8O2
Smiles: O=COCCC
Melting point: -92.9 °C
Boiling point: 81.0 °C
Density: 0.901 g/cm3
Dipole moment: - D
Refractive index: 1.375
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.9275 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 0.9166 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.9053 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.8938 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.8821 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.8702 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.8581 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.8457 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.833 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.8201 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.8068 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 48.5132 |
| PMI2 | 288.0841 |
| PMI3 | 306.4269 |
| NPR1 | 0.1583 |
| NPR2 | 0.9401 |
| RadiusOfGyration | 1.9103 |
| InertialShapeFactor | 0.0194 |
| Eccentricity | 0.9874 |
| Asphericity | 0.6010 |
| SpherocityIndex | 0.2925 |
| PBF | 0.4888 |