Reference materials for calorimetry and differential thermal analysis

Sabbah, Raphaël; An, Xin; Chickos, James S.; Leitão, M. Luísa P.; Roux, Marı́a Victoria; Torres, Lizeth

doi:10.1016/s0040-6031(99)00009-x

Cited by 833 publications

(62 citation statements)

References 327 publications

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“…Thermodynamic properties of benzoic acid have been reported extensively in the literature, as the compound is the calibration standard for the measurement of enthalpies of combustion, and it is a reference material for the measurement of condensed-phase heat capacities for temperatures below T 5 400 K and the measurement of sublimation pressures for the range [298.15 , (T/K) , 383]. 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.…”

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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“…The average values are 177 J·g −1 [5] and 178 J·g −1 [6]. NaNO 3 has been also considered for differential scanning calorimeter (DSC) calibration with a recommended value of 178 J · g −1 [7]. There is some larger discrepancy in terms of the second-order transition enthalpy at around 275 • C. Values from 12 J · g −1 (drop calorimeter) to 45 J · g −1 (DSC) are reported [6].…”

Section: Melting Enthalpy and Melting Temperature Of Nanomentioning

confidence: 99%

Characterization of Sodium Nitrate as Phase Change Material

2011

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In this article the results of material investigations of sodium nitrate (NaNO 3 ) with a melting temperature of 306 • C as a phase change material (PCM) are presented. The thermal stability was examined by kinetic experiments and longduration oven tests. In these experiments the nitrite formation was monitored. Although some nitrite formation in the melt was detected, results show that the thermal stability of NaNO 3 is sufficient for PCM applications. Various measurements of thermophysical properties of NaNO 3 are reported. These properties include the thermal diffusivity by the laser-flash, the thermal conductivity by the transient hot wire, and the heat capacity by the differential scanning calorimeter method. The current measurements and literature values are compared. In this article comprehensive temperature-dependent thermophysical values of the density, heat capacity, thermal diffusivity, and thermal conductivity in the liquid and solid phases are reported.

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“…Calculations were performed taking into account corrections for the combustion of cotton thread ΔU fuse , terylene container ΔU ter , soot to carbon dioxide ΔU carbon and also for formation in a bomb nitric acid solution ΔU HNO3 , using the following data for heats of combustion (J g −1 ): terylene 22,944.2 [10]; cotton thread 16,704.2 [10]; soot to carbon dioxide −32,763 [11]; formation of nitric acid 59 kJ mol −1 [11]. …”

Section: Resultsmentioning

confidence: 99%

“…Both corrections were calculated according to [11]. The calculation of enthalpy formations in condensed phase was based on the following key values of , kJ mol −1 : (−285.830 ± 0.042) (H 2 O, l.), (−393.514 ± 0.046) (CO 2 , g) [10];…”

Section: Resultsmentioning

confidence: 99%

Thermodynamic properties of 5(nitrophenyl) furan-2-carbaldehyde isomers

Dibrivnyi

Собечко

Пуняк

et al. 2015

Chemistry Central Journal

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BackgroundThe aim of the current work was to determine thermo dynamical properties of 5(2-nitro phenyl)-furan-2-carbaldehyde, 5(3-nitro phenyl)-furan-2-carbaldehyde and 5(4-nitro phenyl)-furan-2-carbaldehyde.ResultsThe temperature dependence of saturated vapor pressure of 5(2-nitro phenyl)-furan-2-carbaldehyde, 5(3-nitro phenyl)-furan-2-carbaldehyde and 5(4-nitro phenyl)-furan-2-carbaldehyde was determined by Knudsen’s effusion method. The results are presented by the Clapeyron–Clausius equation in linear form, and via this form, the standard enthalpies, entropies and Gibbs energies of sublimation and evaporation of compounds were calculated at 298.15 K. The standard molar formation enthalpies of compounds in crystalline state at 298.15 K were determined indirectly by the corresponding standard molar combustion enthalpy, obtained using bomb calorimetry combustion.ConclusionsDetermination of the thermodynamic properties for these compounds may contribute to solving practical problems pertaining optimization processes of their synthesis, purification and application and it will also provide a more thorough insight regarding the theoretical knowledge of their nature.Graphical abstract:Generalized structural formula of investigated compounds and their formation enthalpy determination scheme in the gaseous state

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Reference materials for calorimetry and differential thermal analysis

Cited by 833 publications

References 327 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

Characterization of Sodium Nitrate as Phase Change Material

Thermodynamic properties of 5(nitrophenyl) furan-2-carbaldehyde isomers

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