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. 2021 Feb 17;6(8):5627–5641. doi: 10.1021/acsomega.0c06088

Table 5. Summary of Results from This Simulation Compared with Other Reported Studies Based on Approach (Ii).

property estimated experimental accuracy refs
heat capacity (J/mol K) 2362.42 2312.32 97.83 (38)
density (kg/m3) 1143.43 1134.00 99.17% (39)
molecular weight 116.12 116.12 99.99% (39)