Thermochemical Data of Organic Compounds
The purpose of the material in this book is to enable users of thermochemical data to predict values for standard enthalpies ofreactions involving organic compounds ranging in complex ity from simple alkanes to biologically important compounds such as am
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Thermochemical Data of Organic Compounds SECOND EDITION
J. B. Pedley R. D. Naylor S. P. Kirby School of Chemistry and Molecular Sciences University of Sussex, Falmer, Brighton
LONDON
NEW YORK
CHAPMAN AND HALL
First published in 1977 by The University of Sussex Second edition published 1986 by Chapman and Hall Ltd 11 New Fetter Lane, London EC4P 4EE Published in the USA by Chapman and Hall 29 West 35th Street, New York NY 10001
© 1986 University of Sussex Softcover reprint ofthe hardcover 1st edition 1986
All rights reserved. No part of this book may be reprinted, or reproduced or utilized in any form or by any electronic, mechanical or other means, now known or hereafter invented, including photocopying and recording, or in any information storage and retrieval system, without permission in writing from the publisher. British Library Cataloguing in Publication Data Pedley, J.B. Thermochemical data of organic compounds.-2nd ed. 1. Chemistry, Organic-Tables 2. Chemistry reactions-Tables 3. Thermodynamics-Tables I. Title II. Naylor, R.D. III. Kirby, S.P. IV. Pedley, J.B. Sussex - N.P.L. Computer analysed thermochemical data 547.1'369'0212 QD257.7
Library of Congress Cataloging. in Publication Data Pedley, J. B. Thermochemical data of organic compounds. Rev. ed of; Sussex-N.P.L. computer analysed thermochemical data. 1977. Bibliography; p. Includes index. 1. Thermochemistry-Tables. 2. Chemistry, OrganicTables. 3. Organometallic compounds-Tables. I. Naylor, R. D. (Richard David), 1963. II. Kirby, S. P. (Steven Paul), 1958. III. Pedley, J. B. Sussex-N.P.L. computer analysed thermochemical data. IV. Title. QD511.8.P43 1986 547.1'36 85-13206 ISBN-13: 978-94-010-8319-5 e- ISBN -13: 978-94-009-4099-4 DOl: 10.1007/978-94-009-4099-4
Contents page vii
List of tables
1
Preface
ix
Acknowledgements
xi
Introduction
1
Standard enthalpies of formation derived from experimental data
3
1.1 Data tables 1.2 Processing of experimental data
2
Prediction of standard enthalpies of formation
3 5
7
2.1 2.2 2.3 2.4 2.5
Component enthalpies Determination of values for component enthalpies Summary Uncertainties on values for component enthalpies Comparison of calculated and experimental values
7 9 19 20 20
3
Group interactions
52
3.1 Introduction 3.2 Derivation of values for group interactions
52 52
4
Interpretation of group interactions: prediction of unknown values for component enthalpies
4.1 4.2 4.3 4.4 4.5 4.6
Introduction Alkanes Alkenes and alkynes Monofunctional compounds Polyfunctional compounds Summary
64 64 67
5
Future developments
81
64
69
72
79
5.1 Experimental data files 5.2 Parametric schemes 5.3 Software development
81 81 82
Appendix Table 1.1 Selected values of AfH-e-
83
v
87
Contents
VI
Table 1.2 Experimental thermochemical data Table 1.3 Standard enthalpies of formation for inorganic compounds
233
References
621
Narne index
661
Chemical Abstracts Service Registry Number Index
759
617
List of tables Table 1.1 Selected values of LlrH-& page 87 Table 1.2 Experiment
