The ΔΔ𝐺 ‡ solv values or its gradients (enthalpy or entropy) at two temperatures are needed to obtain two additional equations. Our two prior studies demonstrated that the ab initio COSMO-RS method can provide reasonable estimations of ΔΔ𝐺 ‡ solv and ΔΔ𝐻 ‡ solv at 298 K for various liquid phase reactions. Thus, we formulate two more equations based on the ΔΔ𝐺 ‡ solv and ΔΔ𝐻 ‡ solv values at 298 K: