Table 6. Heat of Vaporization ΔH (kJ·mol^–1) Obtained Using Force Fields at Temperature T = 303 K and Pressure p = 1 bar^a.

force field	ΔHvap,sim/kJ·mol–1b	Δ(ΔHvap) (%)
force field of ref (2)	67.05 ± 0.17	0.48
OPLS	60.71 ± 0.24	–9.02
this work	59.43 ± 0.27	–10.94

^aThe experimental value using the Clapeyron and Cox equations is 66.73 kJ·mol^–1.⁶²

^bThe expanded uncertainty (U) is reported at 95% level of confidence.