Low-Temperature Thermodynamic Properties of Pyrimidine Bases: Thymine and Uracil

IF 2.1 3区工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Chemical & Engineering Data Pub Date : 2025-08-12 DOI:10.1021/acs.jced.5c00389

Michael A. Bespyatov*,

引用次数: 0

Abstract

This study reports precise heat capacity data for crystalline thymine (C₅H₆N₂O₂; CAS Number: 65-71-4; fraction purity: 0.999) and uracil (C₄H₄N₂O₂; CAS Number: 66-22-8; fraction purity: 0.999) over the temperature range of 6 to 330 K. Adiabatic calorimetry was used to perform the measurements. The calorimeter was validated by measuring the heat capacity of reference standards (copper and benzoic acid). The experimental heat capacity data were fitted using Einstein-Planck functions and extrapolated to 0 K following the Debye law. The data enabled the calculation of thermodynamic functions (entropy, enthalpy increment, and reduced Gibbs energy) for thymine and uracil between 0 and 330 K.

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嘧啶碱：胸腺嘧啶和尿嘧啶的低温热力学性质

本研究报告了结晶胸腺嘧啶（C5H6N2O2； CAS编号：65-71-4；分数纯度：0.999）和尿嘧啶（C4H4N2O2； CAS编号：66-22-8；分数纯度：0.999）在6至330 K温度范围内的精确热容数据。采用绝热量热法进行测量。通过测量参考标准品（铜和苯甲酸）的热容对量热计进行了验证。采用爱因斯坦-普朗克函数拟合实验热容数据，并根据德拜定律外推至0 K。计算了胸腺嘧啶和尿嘧啶在0 ~ 330k范围内的热力学函数（熵、焓增量和还原吉布斯能）。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Chemical & Engineering Data 工程技术-工程：化工

CiteScore

5.20

自引率

19.20%

发文量

324

审稿时长

2.2 months

期刊介绍： The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.