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pKa Prediction for Organic Acids and Bases

Authors: Perrin, D.

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About this book

Many chemists and biochemists require to know the ionization constants of organic acids and bases. This is evident from the Science Citation Index which lists The Determination of Ionization Constants by A. Albert and E. P. Serjeant (1971) as one of the most widely quoted books in the chemical literature. Although, ultimately, there is no satisfactory alternative to experimental measurement, it is not always convenient or practicable to make the necessary measureĀ­ ments and calculations. Moreover, the massive pK. compilations currently available provide values for only a small fraction of known or possible acids or bases. For example, the compilations listed in Section 1. 3 give pK. data for some 6 000--8 000 acids, whereas if the conservative estimate is made that there are one hundred different substituent groups available to substitute in the benzene ring of benzoic acid, approximately five million tri-substituted benzoic acids are theoretically possible. Thus we have long felt that it is useful to consider methods by which a pK. value might be predicted as an interim value to within several tenths of a pH unit using arguments based on linear free energy relationships, by analogy, by extrapolation, by interpolation from existing data, or in some other way. This degree of precision may be adequate for many purposes such as the recording of spectra of pure species (as anion, neutral molecule or cation), for selection of conditions favourable to solvent extraction, and for the interpretation of pH-profiles for organic reactions.

Table of contents (10 chapters)

Table of contents (10 chapters)

Buy this book

eBook $84.99
price for USA in USD
  • ISBN 978-94-009-5883-8
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Softcover $109.99
price for USA in USD
  • ISBN 978-94-009-5885-2
  • Free shipping for individuals worldwide
  • Immediate ebook access, if available*, with your print order
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
pKa Prediction for Organic Acids and Bases
Authors
Copyright
1981
Publisher
Springer Netherlands
Copyright Holder
D. D. Perrin, Boyd Dempsey and E. P. Serjeant
eBook ISBN
978-94-009-5883-8
DOI
10.1007/978-94-009-5883-8
Softcover ISBN
978-94-009-5885-2
Edition Number
1
Number of Pages
X, 146
Topics

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