What is the enthalpy of formation of acrylic acid?

被引：0
|
作者：
Rafael Notario
Maria Victoria Roux
Daniel A. Bors
Joel F. Liebman
机构：
[1] CSIC,Instituto de Química Física “Rocasolano”
[2] E-28006 Madrid,Department of Chemistry and Biochemistry
[3] Rohm and Haas Company,undefined
[4] University of Maryland,undefined
[5] Baltimore County,undefined
来源：
Structural Chemistry | 2007年 / 18卷
关键词：
Acrylic acid; Chemical industry; Enthalpy of formation; Entropy; Gibbs energy of formation; G2 and G3 quantum chemical calculations; Polymers; Propenoic acid; Rotamers;
D O I：
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学科分类号：
摘要：
Acrylic acid is a key industrial compound with numerous uses. Despite its importance, its enthalpy of formation is still contentious—even ignoring “ancient” determinations, there is a 12 kJ mol−1 range of values reported for the gas phase quantity, −320 to −332 kJ mol−1. Our quantum chemical calculations using current methodology suggest the value of −321 ± 3 kJ mol−1.
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页码：395 / 398
页数：3
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