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• W1967086749 abstract "The molar heat capacity of pyridine-3-carboxylic acid (nicotinic acid) for T = (296 to 531) K was investigated by differential scanning calorimetry (DSC) and Calvet-drop microcalorimetry. The measurements extended up to the liquid range and also covered the interval where a reversible and fast solid-solid (cr II → cr I) phase transition occurs. The molar enthalpies and entropies of that phase transition and of fusion were obtained as Ttrs = (455.0 ± 0.2) K, ΔtrsHmo = (0.90 ± 0.10) kJ ⋅ mol−1, ΔtrsSmo = (1.98 ± 0.22) J ⋅ K−1 ⋅ mol−1, Tfus = (509.91 ± 0.04) K, ΔfusHmo = (28.2 ± 0.1) kJ ⋅ mol−1, and ΔfusSmo = (55.30 ± 0.16) J ⋅ K−1 ⋅ mol−1. By combining these experimental results with the previously reported ΔsubHm(NA,cr II) at T = 366.5 K, the corresponding entropy in the gaseous state calculated at the B3LYP/6-31+G(d,p) level of theory, and ΔfHmo(NA),cr II) at T = 298.15 K, it was possible to estimate the standard molar Gibbs energy of formation functions necessary for the construction of the ΔfGm∘ vs. T diagram illustrating the enantiotropic nature of this system." @default.
• W1967086749 created "2016-06-24" @default.
• W1967086749 creator A5004351773 @default.
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• W1967086749 date "2012-12-01" @default.
• W1967086749 modified "2023-09-23" @default.
• W1967086749 title "Heat capacity and thermodynamics of solid and liquid pyridine-3-carboxylic acid (nicotinic acid) over the temperature range 296K to 531K" @default.
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• W1967086749 doi "https://doi.org/10.1016/j.jct.2012.06.010" @default.
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