Table 3 Calculated the critical properties of [C₄mim][BF₄] IL using MD simulations and compared the results with existing studies.

Density, ρ (kg/m³) at T = 300 K and P = 1.01325 bar

1184⁷⁸

1190⁷⁹

Heat capacity, C_p (Kcal/mol./K)

100.47⁷⁸

Critical temperature, T_c (K)

1400 ± 10

1267⁷⁸

1252⁸⁰

632.30³⁶

955.4³⁷

1141.1⁴⁸, based on Guggenheim equation

1177.0⁴⁸, based on group contribution

1210.8⁴⁸, based on QSPR model

1230.2⁵⁰, based on Guggenheim equation

1366.9⁵⁰, Eötvös Approach

1062.2⁵², based on SAFT-VR-Mie

930.0⁵², based on CP-PC-SAFT

Critical pressure, p_c (bar)

11 ± 5

4⁵¹

20.4³⁶

41.4³⁷

34.09⁵², based on SAFT-VR-Mie

29.04⁵², based on CP-PC-SAFT

Critical density, ρ_c (kg/m³)

147.6 ± 10

210.2⁷⁸

181⁸⁰

336³⁶