کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
216952 1426290 2010 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A calorimetric and computational study on the thermochemistry of 2-(5H)-furanone and 2-(5H)-thiophenone
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی مهندسی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
A calorimetric and computational study on the thermochemistry of 2-(5H)-furanone and 2-(5H)-thiophenone
چکیده انگلیسی

In the present work, a combined experimental and computational thermochemical study of 2-(5H)-furanone and 2-(5H  )-thiophenone was carried out. The standard (p∘=0.1MPa) molar enthalpies of formation, in the liquid phase, for the 2-(5H)-furanone and 2-(5H)-thiophenone, at T = 298.15 K, were derived from the standard massic energies of combustion, measured by static and rotating bomb combustion calorimetry, respectively. High temperature Calvet microcalorimetry experiments were performed to measure their standard molar enthalpies of vaporization.Compound-ΔcUm∘(l)/(kJ·mol-1)-ΔfHm∘(l)/(kJ·mol-1)ΔlgHm∘(298.15K)/(kJ·mol-1)2-(5H)-Furanone (l)1832.9 ± 0.7312.8 ± 0.955.6 ± 1.32-(5H)-Thiophenone (l)2620.4 ± 1.5122.3 ± 1.656.0 ± 1.2Full-size tableTable optionsView in workspaceDownload as CSVThese experiments allowed the determination of the standard molar enthalpies of formation, in the gaseous phase, at T = 298.15 K. These values are compared with estimated data from G3(MP2)//B3LYP computations, using several gas-phase working reactions.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: The Journal of Chemical Thermodynamics - Volume 42, Issue 4, April 2010, Pages 564–570
نویسندگان
, , ,