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Author: D. Perrin
Publisher: Springer
ISBN:
Category : Juvenile Nonfiction
Languages : en
Pages : 168
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Book Description
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 measure 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.
Author: D. Perrin
Publisher: Springer
ISBN:
Category : Juvenile Nonfiction
Languages : en
Pages : 168
Get Book Here
Book Description
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 measure 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.
Author: D. Perrin
Publisher: Springer Science & Business Media
ISBN: 9400958838
Category : Science
Languages : en
Pages : 154
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Book Description
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 measure 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.
Author: D. Perrin
Publisher: Springer
ISBN: 9789400958852
Category : Science
Languages : en
Pages : 146
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Book Description
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 measure 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.
Author: George C. Shields
Publisher: CRC Press
ISBN: 1466508809
Category : Science
Languages : en
Pages : 164
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Book Description
The pKa of a compound describes its acidity or basicity and, therefore, is one of its most important properties. Its value determines what form of the compound-positive ion, negative ion, or neutral species-will be present under different circumstances. This is crucial to the action and detection of the compound as a drug, pollutant, or other activ
Author: Monica Bianchini
Publisher: Springer Science & Business Media
ISBN: 3642366570
Category : Technology & Engineering
Languages : en
Pages : 547
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Book Description
This handbook presents some of the most recent topics in neural information processing, covering both theoretical concepts and practical applications. The contributions include: Deep architectures Recurrent, recursive, and graph neural networks Cellular neural networks Bayesian networks Approximation capabilities of neural networks Semi-supervised learning Statistical relational learning Kernel methods for structured data Multiple classifier systems Self organisation and modal learning Applications to content-based image retrieval, text mining in large document collections, and bioinformatics This book is thought particularly for graduate students, researchers and practitioners, willing to deepen their knowledge on more advanced connectionist models and related learning paradigms.
Author: Paula Yurkanis Bruice
Publisher:
ISBN: 9781292089034
Category :
Languages : en
Pages : 704
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Book Description
NOTE You are purchasing a standalone product; MasteringChemistry does not come packaged with this content. If you would like to purchase both the physical text and MasteringChemistry search for 032196747X / 9780321967473 Essential Organic Chemistry 3/e Plus MasteringChemistry with eText -- Access Card Package: The access card package consists of: 0321937716 / 9780321937711 Essential Organic Chemistry 3/e0133857972 / 9780133857979 MasteringChemistry with PearsonKey Benefits: MasteringChemistry should only be purchased when required by an instructor." For one-term Courses in Organic Chemistry. " A comprehensive, problem-solving approach for the brief Organic Chemistry course. Modern and thorough revisions to the streamlined, " Essential Organic Chemistry f"ocus on developing students' problem solving and analytical reasoning skills throughout organic chemistry. Organized around reaction similarities and rich with contemporary biochemical connections, Bruice's Third Edition discourages memorization and encourages students to be mindful of the fundamental reasoning behind organic reactivity: electrophiles react with nucleophiles. Developed to support a diverse student audience studying organic chemistry for the first and only time, Essentials fosters an understanding of the principles of organic structure and reaction mechanisms, encourages skill development through new Tutorial Spreads and emphasizes bioorganic processes. Contemporary and rigorous, Essentials addresses the skills needed for the 2015 MCAT and serves both pre-med and biology majors. Also Available with MasteringChemistry(R) This title is also available with MasteringChemistry - the leading online homework, tutorial, and assessment system, designed to improve results by engaging students before, during, and after class with powerful content. Instructors ensure students arrive ready to learn by assigning educationally effective content before class, and encourage critical thinking and retention with in-class resources such as Learning Catalytics(TM). Students can further master concepts after class through traditional and adaptive homework assignments that provide hints and answer-specific feedback. The Mastering gradebook records scores for all automatically graded assignments in one place, while diagnostic tools give instructors access to rich data to assess student understanding and misconceptions. MasteringChemistry brings learning full circle by continuously adapting to each student and making learning more personal than ever--before, during, and after class.
Author: Alan Roy Katritzky
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 504
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Book Description
Physical Methods in Heterocyclic Chemistry V3.
Author: Andreas Klamt
Publisher: Elsevier
ISBN: 0080455530
Category : Technology & Engineering
Languages : en
Pages : 247
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Book Description
The COSMO-RS technique is a novel method for predicting the thermodynamic properties of pure and mixed fluids which are important in many areas, ranging from chemical engineering to drug design. COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design is about this novel technology, which has recently proven to be the most reliable and efficient tool for the prediction of vapour-liquid equilibria. In contrast to group contribution methods, which depend on an extremely large number of experimental data, COSMO-RS calculates the thermodynamic data from molecular surface polarity distributions, resulting from quantum chemical calculations of the individual compounds in the mixture. In this book, the author cleverly combines a vivid overview of the partly demanding theoretical steps with a deeper analysis of their scientific background and justification. Aimed at theoretical chemists, computational chemists, physical chemists, chemical engineers, thermodynamicists as well as students,academic and industrial experts, COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design provides a novel viewpoint to anyone looking to gain more insight into the theory and potential of the unique method, COSMO-RS. - The only book currently available on COSMO-RS technique - Provides a novel viewpoint for the scientific understanding and for the practical quantitative treatment of fluid phase thermodynamics - Includes illustrative examples of the COSMOtherm program
Author: Neal G. Anderson
Publisher: Academic Press
ISBN: 0123865387
Category : Science
Languages : en
Pages : 489
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Book Description
Designed to provide a comprehensive, step-by-step approach to organic process research and development in the pharmaceutical, fine chemical, and agricultural chemical industries, this book describes the steps taken, following synthesis and evaluation, to bring key compounds to market in a cost-effective manner. It describes hands-on, step-by-step, approaches to solving process development problems, including route, reagent, and solvent selection; optimising catalytic reactions; chiral syntheses; and "green chemistry." Second Edition highlights:• Reflects the current thinking in chemical process R&D for small molecules• Retains similar structure and orientation to the first edition. • Contains approx. 85% new material• Primarily new examples (work-up and prospective considerations for pilot plant and manufacturing scale-up)• Some new/expanded topics (e.g. green chemistry, genotoxins, enzymatic processes)• Replaces the first edition, although the first edition contains useful older examples that readers may refer to - Provides insights into generating rugged, practical, cost-effective processes for the chemical preparation of "small molecules" - Breaks down process optimization into route, reagent and solvent selection, development of reaction conditions, workup, crystallizations and more - Presents guidelines for implementing and troubleshooting processes
Author: Andrew Williams
Publisher: Royal Society of Chemistry
ISBN: 1788018303
Category : Science
Languages : en
Pages : 316
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Book Description
Introducing the application of free energy correlations to elucidating the mechanisms of organic and bio-organic reactions, this book provides a new and illuminating way of approaching a potentially complex topic. The idea of how free energy correlations derive from polar substituent change is introduced, and common pitfalls encountered in the application of free energy relationships are described, along with the use of these anomalies in mechanistic studies. The concept of effective charge is described in detail, with examples of its application. Throughout, worked answers are provided for the problems posed. Databases of parameters, an extensive bibliography and comprehensive lists of further reading are also included. The text provides an invaluable source of information to senior undergraduates, postgraduates and to industrial researchers with an interest in mechanistic studies. It is the first such book in more than thirty years.
