Test substances for bomb combustion calorimetry. p-Chlorobenzoic acid

Hu, Andrew Teh; Sinke, G. C.; Månsson, Margret; Ringnér, Birgitta

doi:10.1016/0021-9614(72)90068-7

Cited by 116 publications

(143 citation statements)

References 30 publications

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“…(10) For all compounds the solubility constants and energies of solution of O 2 and CO 2 as given by Hu et al (11) were used. The energy of oxidation of As 2 O 3 (aq) to As 2 O 5 (aq) was taken from the work of Bjellerup (12) and corrections were applied to account for As 2 O 5 oxidation.…”

Section: -Chloro-8-hydroxyquinolinementioning

confidence: 99%

Standard enthalpies of combustion of five halogen-substituted 8-hydroxyquinolines by rotating-bomb calorimetry

Silva

Ferrão

Silva

1995

The Journal of Chemical Thermodynamics

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Section: -Chloro-8-hydroxyquinolinementioning

confidence: 99%

Standard enthalpies of combustion of five halogen-substituted 8-hydroxyquinolines by rotating-bomb calorimetry

Silva

Ferrão

Silva

1995

The Journal of Chemical Thermodynamics

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“…For each compound, ÁU AE and the heat capacities of the bomb contents, " i and " f , were calculated by the procedure given by Bjellerup,24 using the solubility constants and energies of solution of CO 2 and O 2 , as given by Hu et al 14 All necessary weighing was done using a Mettler AE 240 balance with a sensitivity of AE1 Â 10 À5 g, and corrections from apparent mass to true mass were made.…”

mentioning

confidence: 99%

“…40 Experimental Enthalpies of Formation. Results of a typical combustion experiment for each compound are given in Table 3, where the symbols have been defined elsewhere, 14,19,24 Ám(H 2 O) is the deviation of the mass of water added to the calorimeter from 5222.5 g, which is the mass assigned to "(calor). The values of the energy associated to the isothermal bomb process, ÁU(IBP), were calculated using the expression:…”

mentioning

confidence: 99%

Experimental and Computational Study on the Thermochemistry of Bromoanilines

Silva¹,

Ferreira²,

Gomes³

2006

Bulletin of the Chemical Society of Japan

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The standard (p ¼ 0:1 MPa) molar enthalpies of formation of 2-, 3-, and 4-bromoaniline, 2,4-, 2,5-, and 2,6-dibromoaniline, and 2,4,6-tribromoaniline were derived from the standard molar enthalpies of combustion, in oxygen, which yields CO 2 (g), N 2 (g), and HBr Á 600H 2 O(l), at T ¼ 298:15 K, measured by using rotating-bomb calorimetry.The standard molar enthalpies of sublimation, or vaporization, of these compounds at T ¼ 298:15 K were measured by using Calvet microcalorimetry, and so their standard molar enthalpies of formation in the gaseous state were derived. The enthalpies of fusion of the solid compounds were determined by DSC. The gas-phase enthalpies of formation were also estimated by density functional theory calculations performed at the BP86/6-31+G Ã level. As a result it is confirmed that thermodynamic data is consistent with intramolecular N-HÁÁÁBr hydrogen bonding.Aromatic amines are of great importance in biological and material sciences as well as in pharmaceutical and chemical industries. Halogenated anilines have gained the most focus of all of the aromatic amines, due to their high toxicity and wide uses. For example, they may be used as reagents or precursors for synthesizing organic dyes, in pigments, in agricultural agents, in pharmaceuticals and in the rubber industries.1,2 Haloanilines are frequently found in both effluents of waste water treatment plants and surface water, due to chemical degradation or biotransformation of pesticides and herbicides, or due to accidental spills and illegal release of industrial and municipal wastewater. 3 These compounds have been determined to induce several kinds of toxicity, like methemoglobinemia, splenotoxicity, hepatotoxicity, and nephrotoxicity. 2,4Because of their stability in the presence of air and humidity, and potentially attractive economics, 5,6 aniline and haloanilines have been also used in the synthesis of conducting polymers with applications in rechargeable batteries, electromagnetic interference shielding, electrochromic display devices, sensors, and electrocatalysis.The current work presents the results of calorimetric and computational thermochemistry studies on bromoanilines. The experimental investigation includes the determination of the standard massic energies of combustion in oxygen at T ¼ 298:15 K of the different bromoanilines using a rotatingbomb combustion calorimeter, from which the values of the standard molar enthalpies of formation in the condensed phase were derived. The determination of the standard molar enthalpies of sublimation or vaporization at T ¼ 298:15 K was done by using Calvet microcalorimetry with the high-temperature vacuum sublimation technique; these values allowed the derivation of the standard molar enthalpies of formation, in the gaseous state, of 2-, 3-, and 4-bromoaniline, 2,4-, 2,5-, and 2,6-dibromoaniline, and 2,4,6-tribromoaniline, which were compared with values estimated by the Cox scheme 7 and those obtained by density functional theory calculations. Experimental Materials.The three mono...

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“…Les valeurs de l'enthalpie de combustion de l'isomkre para, obtenues avec un appareillage comparable au n6tre et consignCes dans la littkrature, sont comprises entre -3062,8 et -3065,4 kJ mol-I (7,(16)(17)(18)(19)(20)(21). En constquence, notre rtsultat (-3065,6 5 0,s) W mol-I est tout fait compatible avec ces valeurs.…”

Section: Resultatsunclassified

Étude thermodynamique des trois isomères de l'acide chlorobenzoïque. Partie II

Sabbah¹,

Rojas-Aguilar²

1995

Can. J. Chem.

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Our isoperibol rocking-bomb calorimeter, previously described, has been modified to: (i) reduce and stabilize the heat exchange between the calorimetric system and its surroundings; (ii) change its thermometer; (iii) associate with it a computer program for the robotics of different steps of an experiment, data acquisition, and determination of the thermodynamic quantities. After testing these modifications and calibrating the calorimetric system, the enthalpies of formation in the condensed state and at 298.15 K of the three'isomers of chlorobenzoic acid have been determined by combustion calorimetry. Associating these values with those of their enthalpies of sublimation previously measured, we determined their enthalpies of formation in the gaseous state. The experimental values of the thermodynamic functions -A,H: (s, 298.15 K), -AfH; (s, 298.15 K), A,,,H: (298.15 K), and -AfH: (g, 298.15 K ) are given for 2-chlorobenzoic acid, 3-chlorobenzoic acid, and 4-chlorobenzoic acid. From the experimental value of the enthalpy of atomization, it has been possible to determine an enthalpy value for the Cb-Cl bond. The experimental and theoretical values of the resonance energy of the three isomers are compatible. The relative stability of some monosubstituted derivatives of benzoic acid studied in our laboratory is also discussed.

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Test substances for bomb combustion calorimetry. p-Chlorobenzoic acid

Cited by 116 publications

References 30 publications

Standard enthalpies of combustion of five halogen-substituted 8-hydroxyquinolines by rotating-bomb calorimetry

Standard enthalpies of combustion of five halogen-substituted 8-hydroxyquinolines by rotating-bomb calorimetry

Experimental and Computational Study on the Thermochemistry of Bromoanilines

Étude thermodynamique des trois isomères de l'acide chlorobenzoïque. Partie II

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