The absolute heat of combustion of benzoic acid

Coops, J.; Adriaanse, N.; Nes, K. van

doi:10.1002/recl.19560750302

Cited by 9 publications

(1 citation statement)

References 15 publications

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“…26 The enthalpy of combustion for benzoic acid has been determined by multiple national metrology laboratories with electrically calibrated combustion calorimeters (Table 1). [27][28][29][30][31][32] Enthalpies of formation for the crystal phase from these sources were Values reported by Sklyankin et al 34 were not used in the calculation of the weighted average. reevaluated by Cox and Pilcher, with uncertainties expressed on a consistent basis with 0.95 level of confidence.…”

Section: Benchmark Thermodynamic Properties For Benzoic Acid From Expmentioning

confidence: 99%

Critical Evaluation of Thermodynamic Properties for Halobenzoic Acids Through Consistency Analyses for Results from Experiment and Computational Chemistry

Chirico

Kazakov

Bazyleva

et al. 2017

Journal of Physical and Chemical Reference Data

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Thermodynamic properties of the twelve monohalobenzoic acids are critically evaluated through the application of computational chemistry methods for the ideal-gas phase and thermodynamic consistency assessment of properties determined experimentally and reported in the literature, including enthalpies of combustion, enthalpies of sublimation, and enthalpies of fusion. The compounds of interest are the 2-, 3-, and 4-halo isomers of fluoro-, chloro-, bromo-, and iodobenzoic acids. Computations were validated by comparison with critically evaluated entropies and heat capacities in the ideal-gas state for benzoic acid, benzene, and some halobenzenes. Experimental enthalpies of formation for 2-and 3-bromobenzoic acids, measured by well-established research groups, are mutually inconsistent and further, are shown to be inconsistent with the computations and assessment in this work. Origins of the discrepancies are unknown, and recommended values for these compounds are based on computations and enthalpies of sublimation validated, in part, by a structure-property (i.e., group-additivity) analysis. Lesser, but significant, inconsistencies between experimental and computed results are demonstrated also for 3-and 4-iodobenzoic acids. The comparison of enthalpies of formation based on the experiment and computation for the ideal-gas state of 1-and 2-chloro-, bromo-, and iodonaphthalenes provides additional support for the findings for halobenzoic acids and also reveals some anomalous results in the experimental literature for chloronaphthalenes. Computations are discussed in detail to demonstrate the approach required to obtain optimal results with modern quantum chemical methods.

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Section: Benchmark Thermodynamic Properties For Benzoic Acid From Expmentioning

confidence: 99%

Critical Evaluation of Thermodynamic Properties for Halobenzoic Acids Through Consistency Analyses for Results from Experiment and Computational Chemistry

Chirico

Kazakov

Bazyleva

et al. 2017

Journal of Physical and Chemical Reference Data

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Thermal quantities of cycloparaffins: Part IV. Heats of combustion of cycloparaffins with 10‐17 C atoms

Coops

Kamp

Lambregts

et al. 1960

Recl. Trav. Chim. Pays‐Bas

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Heats of combustion of normal saturated fatty acids and their methyl esters

Adriaanse

Dekker

Coops

1965

Recl. Trav. Chim. Pays‐Bas

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Accurate heats of combustion of the title compounds were measured in an electrically calibrated calorimeter; the liquid samples were burned in Pyrex ampoules; the water content in the samples was titrated by the Karl Fischer method.The increment of the standard enthalpy of combustion, -AHgliq. (-1-AHeliq.) for one C H Z group in the chain proved to be 653.8 kjlmole for both the acids and the methyl esters studied, which is the same value as determined for the liquid paraffins. The following formulae, in which c = the number of carbon chain atoms (c > 5) can be used to calculate the standard enthalpies of combustion (based on the 1951 atomic weights): -AHgliq = 653.8 c -430.2 kj/mole for the acids, accurate to 0.03 -0.04%, -AHgIiq. = 653.8 c + 292.6 k j h o l e for the methyl esters, accurate to 0.02%. The theoretical heat of esterification of a fatty acid with methanol at 25 " C , disregarding heats of solution and dilution, was calculated to be 3.8 f 0.6 kj/mole, which can be compared with the value of 4.2 f 0.3 kj/mole for the theoretical heat of esterification of acetic acid with ethanol at about 20 "C, determined directly by Mme BPretiger-Calvet. Syntheses and purificationThe series of normal saturated fatty acids and their corresponding methyl esters with 5 to 20 carbon chain atoms were synthesized and carefully purified, as described in a previous paper 1.The impurity in the final samples was such (except for the water content, which was accurately determined) that its influence on the heat of combustion was less than 0.01 %. The water content was corrected for. Apparatus and procedureThe original calorimetric equipmentprovided with an isothermal jacketwas described in 1947 2 . Some minor alterations were made in * Full details can be found in the thesis of N. Adriaarise, Vrije Universiteit, Amsterdam (1960), which is available on request. N . Adriaatjse, H. Dekker and J. Coops, Rec. Trav. Chim. 83, 557 (1964).

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The absolute heat of combustion of benzoic acid

Cited by 9 publications

References 15 publications

Critical Evaluation of Thermodynamic Properties for Halobenzoic Acids Through Consistency Analyses for Results from Experiment and Computational Chemistry

Critical Evaluation of Thermodynamic Properties for Halobenzoic Acids Through Consistency Analyses for Results from Experiment and Computational Chemistry

Thermal quantities of cycloparaffins: Part IV. Heats of combustion of cycloparaffins with 10‐17 C atoms

Heats of combustion of normal saturated fatty acids and their methyl esters

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