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Thermodynamics of 4’-bromomethyl-2-cyanobiphenyl in different solvents
Institution:1. School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China;2. The Co-Innovation Centre of Chemistry and Chemical Engineering of Tianjin, Tianjin 300072, China;1. Utrecht University, Faculty of Geosciences, Department of Earth Sciences-Organic Geochemistry, P.O. Box 80021, 3508 TA Utrecht, the Netherlands;2. Utrecht University, Faculty of Sciences, Institute of Environmental Biology-Molecular Plant Physiology, Padualaan 8, 3584 CH Utrecht, the Netherlands;3. Shell Global Solutions International B.V., Grasweg 31, 1031 HW Amsterdam, the Netherlands;4. Department of Ocean Systems, NIOZ Royal Netherlands Institute for Sea Research, P.O. Box 59, 1790 AB Den Burg, the Netherlands;1. Central South University of Forestry and Technology, Changsha, Hunan, China;2. Northeastern University, Boston, MA, USA;1. Health & Crop Sciences Research Laboratory, Sumitomo Chemical Co., Ltd., 4-2-1 Takatsukasa, Takarazuka, Hyogo 665-8555, Japan;2. Department of Pharmaceutical Engineering, Graduate Division of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku, Shizuoka 422-8526, Japan;1. Institute of Biology, Ecology Group, Humboldt-Universität zu Berlin, Philippstraße 13, 10115, Berlin, Germany;2. CSIC-Centro de Edafología y Biología Aplicada del Segura, Department of Soil and Water Conservation, P.O. Box 4195, Campus de Espinardo, 30100, Murcia, Spain;3. UFZ – Helmholtz Centre for Environmental Research, Department of Soil Ecology, Theodor-Lieser-Str. 4, 06120, Halle/Saale, Germany;4. German Centre for Integrative Biodiversity Research (iDiv) Halle – Jena – Leipzig, Deutscher Platz 5, 04103, Leipzig, Germany;5. UFZ – Helmholtz Centre for Environmental Research, Department of Community Ecology, Theodor-Lieser-Str. 4, 06120, Halle/Saale, Germany
Abstract:The melting properties and the heat capacity of the solid state and the melt state 4’-bromomethyl-2-cyanobiphenyl (OTBNBr) were determined. The enthalpy, entropy and Gibbs free energy of fusion were also calculated. The solubility of OTBNBr in eight organic solvents was experimentally measured at temperatures from (283.15 to 323.15) K by using a static method. The reasons for the differences of the solubility of OTBNBr in various solvents are discussed by using the intermolecular interaction. Furthermore, the experimental solubility values were well correlated by the modified Apelblat equation, the λh equation, the Wilson model and the van’t Hoff equation. Finally, the temperature dependence of the activity coefficient and the van’t Hoff enthalpy in the tested solutions was investigated and is discussed.
Keywords:Thermodynamics  4’-Bromomethyl-2-cyanobiphenyl  Solubility  Melting properties  Intermolecular interaction  Van’t Hoff enthalpy
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