Standard enthalpies of formation of 2-aminobenzothiazoles in the crystalline phase by rotating-bomb combustion calorimetry |
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| Institution: | 1. Facultad de Ciencias Químicas de la Benemérita Universidad Autónoma de Puebla, 14 Sur y Av. San Claudio, C.P. 72570 Puebla, Puebla, Mexico;2. Instituto de Industrias, Universidad del Mar, Puerto Ángel, Distrito de San Pedro Pochutla, C.P. 70902 Oaxaca, Mexico;1. School of Chemistry and Chemical Engineering, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, Henan Normal University, Xinxiang, Henan 453007, China;2. School of Chemistry and Chemical Engineering, Henan Institute of Science and Technology, Xinxiang, Henan 453003, China;3. CIQ (UP), Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, R. Campo Alegre, 687, P-4169-007 Porto, Portugal;1. Department of Mechanical Engineering, QIS Institute of Technology,Ongole, Andhra Pradesh, India;2. Department of Mechanical Engineering,Malla Reddy Engineering College, Kompally, Secunderabad, Telangana, India |
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| Abstract: | The standard molar enthalpies of combustion of 2-aminobenzothiazole (2AB), 2-amino-4-methyl-benzothiazole (2A4MB), and 2-amino-6-methyl-benzothiazole (2A6MB) were determined in the crystalline phase at T = 298.15 K using a rotating-bomb combustion calorimeter. The molar energies of combustion of these compounds were found to be: (−4273.6 ± 0.9), (−4896.9 ± 1.1), and (−4906.9 ± 1.2) kJ · mol−1, respectively. From these values, the corresponding standard molar enthalpies of formation in the solid phase were obtained as: (59.55 ± 1.28), (2.71 ± 1.50), and (13.53 ± 1.53) kJ · mol−1, respectively. The enthalpies of formation in the gas phase were determined using the experimental enthalpies of formation in the solid phase and predicted values of the enthalpies of sublimation. Additionally, the enthalpies of formation in the gas phase were calculated by means of the Gausian-4 theory, using several gas-phase working reactions, and were compared with those found using the predicted enthalpies of sublimation. |
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| Keywords: | Standard molar enthalpies of combustion 2-Aminobenzothiazole 2-Amino-4-methyl-benzothiazole 2-Amino-6-methyl-benzothiazole Enthalpies of formation in the gas phase Gausian-4 theory |
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