期刊
JOURNAL OF CHEMICAL THERMODYNAMICS
卷 85, 期 -, 页码 155-162出版社
ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD
DOI: 10.1016/j.jct.2015.02.001
关键词
Enthalpy of formation; Enthalpy of vaporisation; Combustion calorimetry; Vapour pressure measurements; Anisole derivatives; Quantum-chemical calculations
资金
- Deutsche Akademische Austauschdienst (DAAD)
- Russian Government Program of Competitive Growth of Kazan Federal University
- FCT, Portugal [PEst-OE/QUI/UI0612/2013]
- [SFRH/BPD/74195/2010]
- Fundação para a Ciência e a Tecnologia [SFRH/BPD/74195/2010] Funding Source: FCT
Accurate standard molar enthalpy of formation values in the liquid phase can be obtained by combining high-level quantum chemistry values of gas-phase enthalpies of formation with experimentally determined enthalpies of vaporisation. The procedure is illustrated for 2-, 3-, and 4-methyl-anisoles. Using the W1-F12 and G4 quantum-chemical methods, the gas-phase enthalpies of formation of these compounds at T = 298.15 K were computed. Molar enthalpies of vaporisation for these isomers were measured by the transpiration method. Combining the experimental and the high-level ab initio values, the standard molar enthalpies of formation in the liquid phase for all three isomers were derived and compared with those determined for 2-and 4-methyl-anisoles by using combustion calorimetry. (C) 2015 Elsevier Ltd. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据