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Thermochemistry of uracil and thymine revisited
Institution:1. Department of Physical Chemistry, Kazan Federal University, Kremlevskaya str. 18, 420008 Kazan, Russia;2. Department of Physical Chemistry and Department “Science and Technology of Life, Light and Matter”, University of Rostock, Dr-Lorenz-Weg 1, D-18059 Rostock, Germany;3. Instituto de Química Física “Rocasolano”, CSIC, Serrano 119, 28006 Madrid, Spain;1. Faculty of Education, Department of Mathematics and Science Education, Nevsehir Haci Bektas Veli University, 50300 Nevsehir, Turkey;2. Department of Electronics and Automation, Ahi Evran University, 40100 Kirsehir, Turkey;1. Nofima AS – The Norwegian Institute of Food, Fisheries and Aquaculture Research, Osloveien 1, 1430 Ås, Norway;2. Internet Lab, R.D. Foundation Group of Institutions, NH-58, Kadrabad, Modinagar, Ghaziabad, India;3. Indian Spectroscopy Society, KC 68/1, Old Kavinagar, Ghaziabad 201 002, India;1. Laboratorio de Propiedades Termofisicas, Departamento de Física Aplicada, Universidad de Santiago de Compostela, E-15782 Santiago de Compostela, Spain;2. Center for Energy Resources Engineering (CERE), Department of Chemistry, Technical University of Denmark (DTU), DK 2800 Kgs. Lyngby, Denmark;3. Grupo de Investigación TERMOCAL-Termodinámica y Calibración, Universidad de Valladolid, Paseo del Cauce 59, 47011 Valladolid, Spain;1. Department of Physical Chemistry, University of Chemistry and Technology, Prague, Technická 5, 166 28, Prague 6, Czech Republic;2. Department of Macromolecular Physics, Faculty of Mathematics and Physics, Charles University in Prague, V Holešovičkách 2, 182 00 Praha 2, Czech Republic;1. School of Chemical Engineering, Northwest University, Xi’an 710069, Shaanxi, PR China;2. School of Chemistry and Chemical Engineering, Shaanxi Key Laboratory of Low Metamorphic Coal Clean Utilization, Yulin University, Yulin 719000, PR China;3. Conservation Technology Department, The Palace Museum, Beijing 100009, PR China
Abstract:Thermochemical properties of uracil and thymine have been evaluated using additional experiments. Standard (p0 = 0.1 MPa) molar enthalpies of formation in the gas phase at T = 298.15 K for uracil −(298.1 ± 0.6) and for thymine −(337.6 ± 0.9) kJ · mol−1 have been derived from energies of combustion measured by static bomb combustion calorimetry and molar enthalpies of sublimation determined using the transpiration method. The G3 and G4 quantum-chemical methods were used for calculations of theoretical gaseous enthalpies of formation being in very good agreement with the re-measured experimental values.
Keywords:Uracil  Thymine  Thermochemistry  Enthalpy of formation  Enthalpy of sublimation  Vapour pressure  Quantum chemical calculation
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