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Prediction of Standard Enthalpies of Formation

  • J. B. Pedley
  • R. D. Naylor
  • S. P. Kirby

Abstract

A number of methods for relating the standard enthalpy of formation of a compound in its ideal-gaseous state to its molecular structure are considered in detail by Cox and Pilcher [70COX/PIL]. The most generally applicable parametric schemes are the ‘Benson’, ‘Laidler’ and ‘Allen’ procedures; Cox and Pilcher show that these three methods are mathematically equivalent. However some important steric interactions between non-bonded atoms and conjugative effects between formally localized bonds are not explicitly allowed for in the values for the parameters. They are thus often difficult to estimate to kJ mol−1 accuracy.

Keywords

Standard Enthalpy Acid Ethyl Ester Pentanoic Acid Thermochemical Data Group Code 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© University of Sussex 1986

Authors and Affiliations

  • J. B. Pedley
    • 1
  • R. D. Naylor
    • 1
  • S. P. Kirby
    • 1
  1. 1.School of Chemistry and Molecular SciencesUniversity of SussexFalmer, BrightonUK

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