Thermochemical Data and Structures of Organic Compounds: 1st Edition (CD-ROM) book cover

Thermochemical Data and Structures of Organic Compounds

1st Edition

By J B Pedley

CRC Press

576 pages

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CD-ROM: 9781883400019
pub: 1994-06-15

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A search for the enthalpy of formation of a particular compound can be a difficult task. So it is of great benefit that the values be collected together in one comprehensive compilation. Thermochemical Data and Structures of Organic Compounds presents approximately 3000 enthalpies of formation of organic compounds.

There are many instances of large discrepancies reported for a particular compound. Thus, selection of the "best" value becomes a challenge for the person who is not a practicing thermochemist, but who only wishes to use the data. A critical evaluation of the values presented becomes desirable. This compilation presents about 3000 enthalpies of formation of organic compounds, all critically evaluated.


"The tables of data presented in this book are a great advance in comprehensive coverage and in critical evaluation, and supersede previous tables of data. This book is the most important source of thermochemical data for organic compounds now available, and users of these tables will be grateful… for the effort and care expended in their production."

-Geoffrey Pilcher, Department of Chemistry, University of Manchester, England; from the Foreword

Table of Contents


1 Selected Thermochemical Data and Comparisons with Calculated Values


Structural Codes

Organization of Data


Selected Values of Standard Enthalpies of Formation

Comparisons of Selected and Calculated Values for Liquids and Gases

2 Parameters for Standard Enthalpies of Formation


The Pedley Method

Calculations for Acyclic Hydrocarbons

Calculations for Compounds Containing Functional Groups

Calculations for Cyclic Compounds

Comments on Values for Bond Energies

Comments on Values for Bond Interactions

Comments on Strain and Resonance Energies in Ring Systems

3 Comparison of Selected and Calculated Values-Identification of Suspect Data


Acyclic Hydrocarbons

Acyclic Oxygen Compounds

Acyclic Nitrogen Compounds

Acyclic Sulfur Compounds

Acyclic Halogen Compounds

Corrections for Ring Systems

Derivatives of Benzene

Concluding Remarks


A Appendix-Parameters for Standard Enthalpies of Formation


Parameters for Acyclic Hydrocarbons

Parameters Involving Non-Hydrocarbon Fragments in Acyclic Compounds

Ring Corrections

Formula Index

Name Index

Chemical Abstracts Service Registry Number (CASRN) Index

Subject Categories

BISAC Subject Codes/Headings:
SCIENCE / Chemistry / Organic
SCIENCE / Chemistry / Physical & Theoretical