isopropyl acetate
CAS Number: 108-21-4
Molecular Mass: 102.13 g/mol
Formula: C5H10O2
Smiles: CC(=O)OC(C)C
Melting point: -73.4 °C
Boiling point: 88.6 °C
Density: 0.874 g/cm3
Dipole moment: - D
Refractive index: 1.3773
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 293.15 | 0.874 | Handbook of organic solvent properties Ian M. Smallwood | - |
| 298.15 | 0.86622 | 10.1007/bf02705587 | - |
| 308.15 | 0.85415 | 10.1021/je00003a017 | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 106.2189 |
| PMI2 | 302.1407 |
| PMI3 | 347.0106 |
| NPR1 | 0.3061 |
| NPR2 | 0.8707 |
| RadiusOfGyration | 1.9230 |
| InertialShapeFactor | 0.0082 |
| Eccentricity | 0.9520 |
| Asphericity | 0.3448 |
| SpherocityIndex | 0.2863 |
| PBF | 0.5485 |