. 2021 Apr 20;125(16):4148–4161. doi: 10.1021/acs.jpcb.1c01073

Table 6. Parameters for Δh and Δc_P Extracted from a Nonlinear Least Squares Analysis of Computed Temperature-Dependent Free Energies and Fits to eq 3.

solute	Δμ_h at 298 K	estimated Δh at 298 K (kcal/mol)	estimated Δc_P (cal/(mol K))
Cl^–	–86.17 ± 0.06	–87.72	–46.55
Cl⁰	2.50 ± 0.04	–2.70	63.31
Cl⁺	–65.30 ± 0.05	–68.65	11.35

Table 6. Parameters for Δh and ΔcP Extracted from a Nonlinear Least Squares Analysis of Computed Temperature-Dependent Free Energies and Fits to eq 3.