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：

暂无

中图分类号：

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.

引用

页码：395 / 398

页数：3

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