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
收藏
页码：395 / 398
页数：3
相关论文
共 50 条
  • [31] Formation and Stability of Polyelectrolyte Multilayers of Chitosan and Poly(acrylic acid)
    Liu Bingtao
    Fokkink, Remco
    de Keizer, Arie
    FUNDAMENTAL OF CHEMICAL ENGINEERING, PTS 1-3, 2011, 233-235 : 1411 - +
  • [32] ACID CATALYSIS OF THE POLYMERIZATION CENTERS FORMATION ON ACRYLIC-MONOMERS
    KURLYANKINA, VI
    MOLOTKOV, VA
    DOBRODUMOV, AV
    EISNER, YE
    DENISOV, VM
    PANARIN, EF
    DOKLADY AKADEMII NAUK, 1995, 341 (03) : 358 - 363
  • [33] Formation of heavy adducts in esterification of acrylic acid: A DFT study
    Ostrowski, Slawomir
    Jamroz, Malgorzata E.
    Dobrowolski, Jan Cz
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2011, 974 (1-3) : 100 - 108
  • [34] ETHYLENE FORMATION FROM ACRYLIC ACID BY A BANANA PULP EXTRACT
    SHIMOKAWA, K
    KASAI, Z
    AGRICULTURAL AND BIOLOGICAL CHEMISTRY, 1970, 34 (11): : 1646 - +
  • [35] Calculated bond dissociation energies and enthalpy of formation of α-amino acid radicals
    Kabir M. Uddin
    David J. Henry
    Raymond A. Poirier
    Peter L. Warburton
    Theoretical Chemistry Accounts, 2016, 135
  • [36] ENTHALPY OF SNCL4 FORMATION IN HYDROCHLORIC-ACID SOLUTIONS
    VASILEV, VP
    KOKURIN, NI
    VASILEVA, VN
    ZHURNAL NEORGANICHESKOI KHIMII, 1973, 18 (02): : 300 - 304
  • [37] Calculated bond dissociation energies and enthalpy of formation of α-amino acid radicals
    Uddin, Kabir M.
    Henry, David J.
    Poirier, Raymond A.
    Warburton, Peter L.
    THEORETICAL CHEMISTRY ACCOUNTS, 2016, 135 (09)
  • [38] Standard enthalpy of formation of 3,4,5-trimethoxybenzoic acid
    H. G. Yu Yu
    J. X. Dong
    C. Q. Qin
    Y. Liu
    S. S. Qu
    Journal of Thermal Analysis and Calorimetry, 2004, 75 : 807 - 813
  • [39] On the experimental structure of monoperoxocarbonic acid and the enthalpy of formation of carbonic acid, peroxyformic acid and monoperoxocarbonic acid in gas phase
    Kieninger, Martina
    Saenz Mendez, Patricia
    Ventura, Oscar N.
    CHEMICAL PHYSICS LETTERS, 2009, 480 (1-3) : 52 - 56
  • [40] THERMOCHEMISTRY OF PICRATES .2. THE STANDARD ENTHALPY OF FORMATION OF PICRIC ACID
    FINCH, A
    SMITH, AE
    THERMOCHIMICA ACTA, 1982, 52 (1-3) : 317 - 319
12345