The results of the predicted 𝑘 liq are presented in Figure along with the computed solvation parameters. We made additional predictions in Figure by using the experimental solvation free energy and enthalpy data of the reactants that are obtained from various sources . Note that both figures use the same solvation energy and enthalpy values for the TS that are computed from the ab initio approach, and they only differ in the solvation values used for the reactants. The results show that Figure provides more accurate predictions of 𝑘 liq . Figure has a higher error at elevated temperatures, yet it also provides acceptable predictions overall. Both plots have similar ΔΔ𝐺 ‡ solv (298 K) values, but their ΔΔ𝐻 ‡ solv (298 K) values differ by around 2 kcal/mol. Our prior study indicated that the COSMO-RS method, which is used to compute the solvation parameters, has a higher calculation error for solvation enthalpy compared to solvation free energy. Therefore, it is likely that the COSMO-RS method has relatively higher errors for the solvation enthalpies of the reactants, causing Figure to underperform. Due to the paucity of the experimental data, the exact calculation errors of ΔΔ𝐺 ‡ solv (298 K) and ΔΔ𝐻 ‡ solv (298 K) and of 𝑘 liq cannot be determined for this approach. Overall, it is found that our method can achieve reliable predictions of temperature-dependent liquid phase rate constants for Reaction 5 based on the computed or experimental solvation parameters. This suggests that our proposed expression can serve not only as an empirical functional form but also as a predictive method. Nonetheless, the analysis was limited to only one reaction, and more thorough assessments should be made with more experimental data to determine whether our method can also provide accurate predictions for different reactions.