Identification and Molecular Understanding of the Odd–Even Effect of Dicarboxylic Acids Aqueous Solubility

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• 作者：Hui Zhang ; Chuang Xie ; Zengkun Liu ; Junbo Gong ; Ying Bao ; Meijing Zhang ; Hongxun Hao ; Baohong Hou ; Qiu-xiang Yin
• 刊名：Industrial & Engineering Chemistry Research
• 出版年：2013
• 出版时间：December 26, 2013
• 年：2013
• 卷：52
• 期：51
• 页码：18458-18465
• 全文大小：378K
• ISSN：1520-5045

文摘

The solubilities of the homologous series of dicarboxylic acids, HOOC鈥?CH₂)_n鈭?鈥揅OOH (n = 2鈥?0), in water have been measured at temperatures ranging from 288.15 to 323.15 K by a static analytic method at atmospheric pressure. Dicarboxylic acids with even numbers of carbon atoms exhibit lower solubilities than acids with adjacent odd carbon numbers. The odd鈥揺ven effect of solubility is most likely associated with the twist of the molecules, which influences the molecular packing in the solid state: the molecules stack with some offset in the cases of even (n = even) series, but without offset in the cases of odd (n = odd) series, whereas the carboxyl groups are twisted in even members. The interlayer packing is looser in odd members than that in even ones. The energies of intramolecular torsion were calculated using Materials studio 6.0 (Accelrys Software Inc.). Finally, the molar Gibbs energies were predicted, which also showed odd鈥揺ven alternation.