Abstract Heat capacities of the antiviral drug rimantadine hydrochloride in the crystalline state were measured by adiabatic calorimetry and differential scanning calorimetry in the temperature range from (7 to 453) K. A broad low-enthalpy solid-state phase anomaly was detected between (170 and 250) K. Thermodynamic functions for crystalline rimantadine hydrochloride were derived. Decomposition of the studied compound was probed by the Knudsen effusion method and thermogravimetry with the support of quantum chemical calculations. The enthalpy of decomposition of rimantadine hydrochloride into the corresponding amine and hydrogen chloride was estimated from those data. The thermodynamic functions of the corresponding amine in the ideal gaseous state, including enthalpy of formation, were obtained using statistical thermodynamics with the necessary molecular parameters computed using quantum chemical methods. The enthalpy of formation of crystalline rimantadine hydrochloride was estimated.

中文翻译：

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盐酸金刚乙胺的热容量和分解

摘要 通过绝热量热法和差示扫描量热法在 (7 到 453) K 的温度范围内测量了结晶态的抗病毒药物盐酸金刚乙胺的热容量。 250) K. 导出了结晶盐酸金刚乙胺的热力学函数。在量子化学计算的支持下，通过 Knudsen 渗出法和热重法探测了所研究化合物的分解。从这些数据估计盐酸金刚乙胺分解为相应的胺和氯化氢的焓。理想气态下相应胺的热力学函数，包括生成焓，使用统计热力学获得，并使用量子化学方法计算出必要的分子参数。估计结晶盐酸金刚乙胺的形成焓。