根据气相色谱保留指数数据计算线性C7-C14炔的Abraham模型l -描述符和标准摩尔蒸发焓

Q3 Chemistry European Chemical Bulletin Pub Date : 2021-01-01 DOI:10.17628/ecb.2021.10.46-57
N. Shanmugam, Shrika Eddula, W. Acree, M. Abraham
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引用次数: 3

摘要

根据已发表的气相色谱保留指数,从涂有角鲨烷和apiezon L固定相的毛细管柱洗脱的溶质,确定了Abraham模型L溶质描述符,用于另外33种线性c7 - c14炔。利用所报道的溶质描述符和我们最近发表的亚伯拉罕模型相关性,计算了33种线性炔在298 K下的蒸发和升华的标准摩尔焓。由亚伯拉罕模型得到的计算汽化焓与基于流行的原子-基团可加性模型的值相比非常有利。
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Calculation of Abraham model L-descriptor and standard molar enthalpies of vaporization for linear C7-C14 alkynes from gas chromatographic retention index data
Abraham model L solute descriptors have been determined for an additional 33 linear C 7 -C 14 alkynes based on published gas chromatographic retention indices for solutes eluted from capillary columns coated with squalane and apiezon L stationary phases.  Standard molar enthalpies of vaporization and sublimation at 298 K are calculated for the 33 linear alkynes using the reported solute descriptors and our recently published Abraham model correlations.  Calculated vaporization enthalpies derived from the Abraham model compare very favourably with values based on a popular atom-group additivity model.
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European Chemical Bulletin
European Chemical Bulletin Chemistry-Chemistry (all)
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