Critical points ρc and Tc (g cm−3, K) calculated by NVT EMD simulations for [C4mim][NTf2], [C4mim][CF3COO], and [C4mim][Br] ILsa.
| LI | ρ c | ρ c,sim | ρ c,es | T c | T c,sim | T c,es |
|---|---|---|---|---|---|---|
| [C4mim][NTf2] | 0.273 | 0.250 ± 0.003 (ref. 33) | 0.424 (ref. 36) | 1205.4 | 1216 ± 14 (ref. 33) | 1077 (ref. 43) |
| 0.265 ± 0.006 (ref. 34) | 1203 ± 4 (ref. 34) | 1012 (ref. 43) | ||||
| 1269.9 (ref. 36) | ||||||
| [C4mim][CF3COO] | 0.213 | N/A | 0.356 (ref. 36) | 1233.4 | N/A | 1271 (ref. 37) |
| 826.8 (ref. 36) | ||||||
| [C4mim][Br] | 0.234 | N/A | 0.376 (ref. 36) | 1308.2 | N/A | 834.9 (ref. 36) |
a
ρ c, ρc,sim and ρc,es refer to calculated values in this work, simulated values (from literature), and theoretically estimated values (from literature), respectively. Simulated and theoretically estimated values were taken from their corresponding references. Tc, Tc,sim and Tc,es the subindices are the same as those in density.