Table 8.
Calculated and experimental ΔH°(c) (in kJ/mol) of some Ionic Liquids.
| Molecule Name | ΔH°c exp | ΔH°c calc | Deviation | Dev. in % |
|---|---|---|---|---|
| 1,1,3,3-Tetramethylguanidinium nitrate | −3656.5 | −3656.5 | 0.0 | 0.00 |
| 1-Butyl-1-methylpyrrolidinium dicyanamide | −7244.8 | −7250.1 | 5.3 | −0.07 |
| 1-Butyl-3-methylimidazolium chloride | −5232.3 | −5206.6 | −25.7 | 0.49 |
| 1-Butyl-3-methylimidazolium dicyanoamide | −6273.9 | −6271.6 | −2.3 | 0.04 |
| 1-Butyl-3-methylimidazolium nitrate | −5013.2 | −5017.8 | 4.6 | −0.09 |
| 1-Decyl-3-methylimidazolium bromide | −9105.2 | −9127.4 | 22.2 | −0.24 |
| 1-Dodecyl-3-methylimidazolium bromide | −10,406.0 | −10,434.4 | 28.4 | −0.27 |
| 1-Ethanol-3-methyl-imidazolium dicyanoamide | −4793.0 | −4780.7 | −12.3 | 0.26 |
| 1-Ethyl-3-methylimidazolium chloride | −3886.2 | −3899.7 | 13.5 | −0.35 |
| 1-Ethyl-3-methylimidazolium dicyanamide | −4955.4 | −4964.7 | 9.3 | −0.19 |
| 1-Ethyl-3-methylimidazolium nitrate | −3697.5 | −3710.9 | 13.4 | −0.36 |
| 1-Methyl-3-pentylimidazolium chloride | −5904.3 | −5860.1 | −44.2 | 0.75 |
| 1-Octyl-3-methylimidazolium bromide | −7837.8 | −7820.5 | −17.3 | 0.22 |
| 1-Tetradecyl-3-methylimidazolium bromide | −11,718.0 | −11,741.3 | 23.3 | −0.20 |
| 6,6-(Tetramethylene-3′-oxa)-7a-(nitroxymethyl)-3-oxoperhydroimidazo [1,5-c]oxazol-6-ium nitrate | −5384.8 | −5376.5 | −8.3 | 0.15 |
| 6,6-(Tetramethylene-3′-oxa)-7a-methyl-3-oxoperhydroimidazo [1,5-c]oxazol-6-ium nitrate | −5587.5 | −5604.8 | 17.3 | −0.31 |
| 6,6-Pentamethylene-7a-(nitroxymethyl)-3-oxoperhydroimidazo[1,5-c]oxazol-6-ium nitrate | −6166.4 | −6159.0 | −7.4 | 0.12 |
| Diethylammonium diethyldithiocarbamate | −7639.6 | −7650.0 | 10.4 | −0.14 |
| Diisobutylammonium diisobutyldithiocarbamate | −12,891.0 | −12,868.4 | −22.6 | 0.18 |
| Diisopropylammonium diisopropyldithiocarbamate | −10,260.0 | −10,252.6 | −7.4 | 0.07 |
| Dipropylammonium dipropyldithiocarbamate | −10,252.0 | −10,271.7 | 19.7 | −0.19 |
| N,N-Dimethylglycine bisulfate | −2610.6 | −2604.7 | −5.9 | 0.23 |
| N,N-Dimethylglycine methyl ester bisulfate | −3323.2 | −3329.1 | 5.9 | −0.18 |
| N,N-Dimethylglycine methyl ester sulfate | −6765.2 | −6790.2 | 25.0 | −0.37 |
| N,N-Dimethylglycine sulfate | −5371.6 | −5346.6 | −25.0 | 0.47 |
| Tetraethylammonium nitrate | −5573.4 | −5590.6 | 17.2 | −0.31 |
| Tetramethylammonium nitrate | −2960.5 | −2958.5 | −2.0 | 0.07 |
| Tetra-n-butylammonium nitrate | −10,841.0 | −10,818.4 | −22.6 | 0.21 |