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<p>A reliable source of properties is important to simulate chemical engineering processes. In this report, several methods as Ruzicka, Dadgostar–Shaw, Garvin, and Bondi are used to predict heat capacities of monoterpenes and monoterpenoids. The predicted values of liquid heat capacities for <i>α</i>-pinene, <i>β</i>-pinene, limonene, verbenone, nopol, and carvone were compared with values obtained by measurements in a microcalorimeter in the range of 298.15–361.15&#xa0;K and with data reported in the literature. Toluene was used as reference material with a maximum 1.6% absolute error. For monoterpenes heat capacity prediction, the errors could be up to 5.7% using predictive methods like Garvin method. The Dadgostar–Shaw method showed better results with carvone and verbenone with up to 2% error; furthermore, this method was the best for predicting nopol heat capacity, although the error was up to 10.6%. To our knowledge, liquid-phase heat capacities of nopol are reported for the first time.</p>

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Predicted liquid heat capacities of selected monoterpenes and monoterpenoids

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年6月5日

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  • Jorge H. Restrepo,
  • Edwin Alarcón,
  • Aída L. Villa

摘要

A reliable source of properties is important to simulate chemical engineering processes. In this report, several methods as Ruzicka, Dadgostar–Shaw, Garvin, and Bondi are used to predict heat capacities of monoterpenes and monoterpenoids. The predicted values of liquid heat capacities for α-pinene, β-pinene, limonene, verbenone, nopol, and carvone were compared with values obtained by measurements in a microcalorimeter in the range of 298.15–361.15 K and with data reported in the literature. Toluene was used as reference material with a maximum 1.6% absolute error. For monoterpenes heat capacity prediction, the errors could be up to 5.7% using predictive methods like Garvin method. The Dadgostar–Shaw method showed better results with carvone and verbenone with up to 2% error; furthermore, this method was the best for predicting nopol heat capacity, although the error was up to 10.6%. To our knowledge, liquid-phase heat capacities of nopol are reported for the first time.