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Summary of Drude Polarizable Neat Liquid Properties for Acetamide and N,N-Dimethylacetamidea
| properties | experiment | Drude (unscaled/vthole) | Drude (scaled/vthole) |
|---|---|---|---|
| Acetamide | |||
| ΔHvap (T = 373 K), kcal/mol | –15.3, –14.6 | –15.0 ± 0.1 | –14.5 ± 0.1 |
| <v> (T = 373 K), kcal/mol | 100 | 103.0 ± 0.5 | 100.6 ± 0.5 |
| N,N-Dimethyl Acetamide | |||
| ΔHvap (T = 298 K), kcal/mol | –10.9, –12.0, –16.2 | –14.8 ± 0.1 | –14.2 ± 0.1 |
| <v> (T = 298 K), kcal/mol | 154.5 | –153.2 ± 0.5 | 153.1 ± 0.5 |
