Thermochemistry of 4-HOC 6 H 4 COR (R=H, CH 3 , C 2 H 5 , n- C 3 H 7 , n -C 4 H 9 , n -C 5 H 11 , and n -C 6 H 13 ) compounds

The Journal of Chemical Thermodynamics(2017)

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Abstract
•Enthalpies of vaporization/sublimation of 4-HOC6H4COR compounds were measured by Calvet microcalorimetry.•ΔfHm° (g) of 4-HOC6H4COR compounds were obtained from W1-F12 and CCSD(T)-F12 ab initio calculations.•The corresponding ΔfHm° (cr) were derived from the experimental ΔvapHm° or ΔsubHm° data and the computational ΔfHm° (g) results.•The ΔsubHm° values show an approximately additive increase with the number of carbon atoms in the alkyl side chain.•An excellent linear correlation was found between the ΔfHm° (g) values and the number of carbon atoms in the alkyl side chain.
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Key words
Enthalpy of formation,Enthalpy of vaporization,Enthalpy of sublimation,Calorimetry,Thermochemistry,Ab initio calculations
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