Dimethylacetamide
CAS Number: 127-19-5
Molecular Mass: 87.12 g/mol
Formula: C4H9NO
Smiles: CC(=O)N(C)C
Melting point: -20.0 °C
Boiling point: 165.0 °C
Density: 0.937 g/cm3
Dipole moment: - D
Refractive index: 1.423
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 303.15 | 0.93169 | 10.1021/acs.jced.5b00753 | - |
| 313.15 | 0.92244 | 10.1021/acs.jced.5b00753 | - |
| 323.15 | 0.91317 | 10.1021/acs.jced.5b00753 | - |
| 333.15 | 0.90386 | 10.1021/acs.jced.5b00753 | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 103.2761 |
| PMI2 | 149.3086 |
| PMI3 | 242.5408 |
| NPR1 | 0.4258 |
| NPR2 | 0.6156 |
| RadiusOfGyration | 1.6857 |
| InertialShapeFactor | 0.0060 |
| Eccentricity | 0.9048 |
| Asphericity | 0.2464 |
| SpherocityIndex | 0.2143 |
| PBF | 0.4023 |