Handbook for Estimating Physiochemical Properties of Organic Compounds

Book Description

A comprehensive compendium of published property estimation techniques for organic compounds.

For scientists and engineers seeking to estimate properties of compounds, this time-saving Handbook brings together in one compact volume a vast array of property estimation methods from more than 2,700 published sources for calculating these and many other properties of organic compounds:
* Density and molar volume
* Boiling point
* Refractive index and molar refraction
* Melting point
* Surface tension and parachor
* Water solubility
* Viscosity
*
* Air/water partition coefficient
* Vapor pressure
* Octanol/water partition coefficient
* Enthalpy of vaporization
* Soil/water partition coefficient.

The property estimation techniques detailed in the Handbook have been chosen for their broad applicability and practical value. The discussion of each estimating technique includes a clear exposition of the technique, including classes of compounds for which it is applicable and critical consideration of its strengths and weaknesses, as well as many worked-out examples demonstrating the technique.

The Handbook can be used on its own or in tandem with the Toolkit for Estimating Physicochemical Properties of Organic Compounds, an easy-to-use, Windows(r)-based program that puts rapid estimation routines and flexible search capabilities at the user's fingertips. The Toolkit CD features routines for estimating key properties of organic compounds and a database of property and other data for more than 24,000 organic compounds.

Also available: Toolkit for Estimating Physicochemical Properties of Organic Compounds ISBN 0-471-19492-1 (CD-ROM)
* Toolkit for Estimating Physicochemical Properties of Organic Compounds ISBN 0-471-17263-4 (book/CD-ROM set)

Customer Reviews:

An Excellent Resource.......1999-04-30

The purpose of this Handbook is to introduce the reader to the concept of property estimation, and to summarize property estimation methods use for important psychochemical properties. The number of estimation methods available in the literature is large and rapidly expanding. This book covers a subset judged by the authors to have relatively broad applicability and high practical value. A key word is judged, this book is not a literature review of all methods. In this regard, it is somewhat disheartening to see no mention of Sam Karikoff's early practical correlation of Koc to solubility and melting point. Knowing Martin, this omission is not an act of professional slight, but a consequence of efficiency in selecting recent, updated works because the later ones impacts directly on the goals of their Handbook. Nevertheless, readers, users and future generations will be unaware of Sam's contribution to the area of property prediction of environmentally relevant chemicals. He really popularized the subject publishing a key manuscript in 1979 and set the stage for high interest in the entire subject of predicting partition coefficients from thermodynamic properties. In addition, they will be unaware of his predecessor Ed Kanaga, who first proposed the idea to environmental chemists and engineers the previous year.. I reviewed an early manuscript of the book several years ago and liked it. This version is improved and some things of practical interest were included. My interest is primarily in Chapters 11 through 14, these subjects are: aqueous solubility, air-water partition coefficients (AWPC), 1-octanol water partition coefficients, and soil-water partition coefficients respectively. As an example of use of the Handbook I was particularly interested in AWPC estimation. These are found on pages 141-143 where four algorithms are reviewed and two are given. This is followed by the use of the method of Suzuki et al.; calculation details are given for determining Henry's constant for quinoline. The correlation is based on both molecular connectivity indices (MCI) and groups contributions. Additional statistical information is given about estimator algorithms useful to the practitioner. For the Suzuki et al. method: n=229, s=0.20 and r=0.994. This is a small book (228 pages), both handy and un-intimidating in size. It is filled with easy to use algorithms. Some, however, are easier than others. The group contribution approaches are more convenient to use than the MCI ones, in my opinion. It contains data in five appendixes. These include: density/temperature, vircosity temperatures, AWPC/temperatures, logs contributions, and Kow atom contributions. The full glossary in Appendix G is invaluable for using the algorithms effectively. The other chapter titles are: Overview of Property Estimation Methods; Computable Molecular Descriptiors; Density and Molar Volume; Refractive Index and Molar Refraction; Surface tension and Parachor Dynamic and Kinematic Viscosity; Vapor Pressure; Enthalpy of Vaporization; Boiling Point and Melting Point. Basically, thermodynamic things with viscosity being the only transport property covered. I wonder why they did not include molecular diffusivity as well. Knowing the physicochemical properties of organic chemicals is a prerequisite for many tasks met by chemical engineers and scientists. Chemical property estimation is the process of deriving an unknown property for a query compound from available properties, molecular descriptions, or reference compounds. The first chapter reviews the classes of estimation methods. Four general classes are covered, they include: quantitative property-property relationships (QPPRs); quantitative structure-property relationships (QSPRs); group contribution models (GCMs); and simlarity-based models. This overview chapter of theoretical approaches summaraizes the property estimation methods considered in the book. The remaining thirteen chapters are comprehensive compendium of published property estimation techniques for organic compounds for use by scientists and engineers seeking to estimate properties. The estimation methods have been carefully selected by the authors. Being highly respected researches in the subject area, they are well qualified to make this judgement.

Louis J. Thibodeaux, Jesse Coates Professor and Kallait T. Valsaraj, Associate Professor Gordon A. and Mary Cain Department of Chemical Engineering Louisiana State University Baton Rouge, LA 70803

The comprehensive nature of the book is valuable.......1999-03-09

The book is valuable in providing information on a number of methodologies currently available to estimate physical/chemical parameters. .....I have reviewed the book along with several colleagues of mine and we all recognize the tremendous effort put forth in seeing this project through completion. The State of Washington is currently using some of these types of methods to estimate characteristics of various fractions of petroleum. I look forward seeing the CD-ROM...

Useful, but overall disappointing book and software.......1999-01-23

The material in this book, and on the CD sold optionally with it, are amongst several new books being published to a field where few books have touched this subject as Lyman's seminal work did many years ago. However, the book lacks examples and the material is presented in a difficult to follow manner. Many new methods are not covered that would have added signifigant value to this work. The software, while well implemented, covers very outdated methods -- providing estimations not in-line with current published methodologies. With the signifigant amount of work that obviously went into this program, and the cost associated with it, one would think that the authors and publisher would have chosen more up-to-date estimation methods and presented them in a more coherent manner. The database provided on the CD, while valuable for structure/synonym lookup, provides a limited set of useful property data. The units are not always standardized, which makes rapid comparisons difficult. The software, unfortunately, is also not well coordinated with the book.

Overall, if you NEED this book, you may find some value in it... but I would recommend waiting for a second, improved edition

Book Description

It has been 15 years since the first edition of Stochastic Integration and Differential Equations, A New Approach appeared, and in those years many other texts on the same subject have been published, often with connections to applications, especially mathematical finance. Yet in spite of the apparent simplicity of approach, none of these books has used the functional analytic method of presenting semimartingales and stochastic integration. Thus a 2nd edition seems worthwhile and timely, though it is no longer appropriate to call it "a new approach".

The new edition has several significant changes, most prominently the addition of exercises for solution. These are intended to supplement the text, but lemmas needed in a proof are never relegated to the exercises. Many of the exercises have been tested by graduate students at Purdue and Cornell Universities. Chapter 3 has been completely redone, with a new, more intuitive and simultaneously elementary proof of the fundamental Doob-Meyer decomposition theorem, the more general version of the Girsanov theorem due to Lenglart, the Kazamaki-Novikov criteria for exponential local martingales to be martingales, and a modern treatment of compensators. Chapter 4 treats sigma martingales (important in finance theory) and gives a more comprehensive treatment of martingale representation, including both the Jacod-Yor theory and Emery’s examples of martingales that actually have martingale representation (thus going beyond the standard cases of Brownian motion and the compensated Poisson process). New topics added include an introduction to the theory of the expansion of filtrations, a treatment of the Fefferman martingale inequality, and that the dual space of the martingale space H^1 can be identified with BMO martingales. Solutions to selected exercises are available at the web site of the author, with current URL http://www.orie.cornell.edu/~protter/books.html .

Numerical Integration of Stochastic Differential Equations (Mathematics and Its Applications)

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Numerical Integration of Stochastic Differential Equations (Mathematics and Its Applications)
G.N. Milstein
Manufacturer: Springer
ProductGroup: Book
Binding: Hardcover

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ASIN: 079233213X

Book Description

This book is devoted to mean-square and weak approximations of solutions of stochastic differential equations (SDE). These approximations represent two fundamental aspects in the contemporary theory of SDE. Firstly, the construction of numerical methods for such systems is important as the solutions provided serve as characteristics for a number of mathematical physics problems. Secondly, the employment of probability representations together with a Monte Carlo method allows us to reduce the solution of complex multidimensional problems of mathematical physics to the integration of stochastic equations.
Along with a general theory of numerical integrations of such systems, both in the mean-square and the weak sense, a number of concrete and sufficiently constructive numerical schemes are considered. Various applications and particularly the approximate calculation of Wiener integrals are also dealt with.
This book is of interest to graduate students in the mathematical, physical and engineering sciences, and to specialists whose work involves differential equations, mathematical physics, numerical mathematics, the theory of random processes, estimation and control theory.

Stochastic Integration with Jumps (Encyclopedia of Mathematics and its Applications)

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A treatise sacrificing clarity for technicality.

Stochastic Integration with Jumps (Encyclopedia of Mathematics and its Applications)
Klaus Bichteler
Manufacturer: Cambridge University Press
ProductGroup: Book
Binding: Hardcover

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ASIN: 0521811295

Book Description

Stochastic processes with jumps and random measures are gaining importance as drivers in applications like financial mathematics and signal processing. This book develops stochastic integration theory for both integrators (semimartingales) and random measures from a common point of view. Using some novel predictable controlling devices, the author furnishes the theory of stochastic differential equations driven by them, as well as their stability and numerical approximation theories. Highlights feature DCT and Egoroff's Theorem, as well as comprehensive analogs to results from ordinary integration theory, for instance, previsible envelopes and an algorithm computing stochastic integrals of c`agl`ad integrands pathwise.

Customer Reviews:

A treatise sacrificing clarity for technicality........2003-07-19

If you think you know about Markov processes with jumps, Levy processes and even the Poisson process, read this book and you will change your mind: the author presents notions familiar to many students in such a complicated way that you will not recognize these objects anymore!
The author, known for his work on stochastic integration and semimartingale theory, wants to go into the very details of the concepts of integrability and measurability from the start but seems to have failed to transmit his knowledge to the readers. Random variables are called "universally measurable functions",
notations are complicated and non-standard, no examples are given and the order of presentation is anti-pedagogical: the Poisson process, which is the simplest example of a jump process, is defined on page 270 (!), well AFTER Levy processes (page 239). One could think that simplicity has been sacrificed for generality, but this is not always the case: for example, the corrollary 5.6.11 stating the relation between PDEs and Markovian flows driven by Levy processes is quite weak: it only gives results for bounded C^2 initial conditions while many others are known in this context. For those interested in stochastic integration for jump processes, I recommend Gikhman and Skorokhod, Jacod and Shiryaev (more complete) or Protter's book (much simpler). The last point which surprized me a lot is that the author was trained as a physicist: nothing could be more unbelievable given the Bourbaki style of this book!

Quantum Probability for Probabilists (Lecture Notes in Mathematics)

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Quantum Probability for Probabilists (Lecture Notes in Mathematics)
Paul A. Meyer
Manufacturer: Springer
ProductGroup: Book
Binding: Paperback

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ASIN: 3540602704

Book Description

In recent years, the classical theory of stochastic integration and stochastic differential equations has been extended to a non-commutative set-up to develop models for quantum noises. The author, a specialist of classical stochastic calculus and martingale theory, tries to provide an introduction to this rapidly expanding field in a way which should be accessible to probabilists familiar with the Ito integral. It can also, on the other hand, provide a means of access to the methods of stochastic calculus for physicists familiar with Fock space analysis. For this second edition, the author has added about 30 pages of new material, mostly on quantum stochastic integrals.

Stochastic Calculus for Fractional Brownian Motion and Related Processes (Lecture Notes in Mathematics)

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Stochastic Calculus for Fractional Brownian Motion and Related Processes (Lecture Notes in Mathematics)
Yuliya Mishura
Manufacturer: Springer
ProductGroup: Book
Binding: Paperback

Book Description

The theory of fractional Brownian motion and other long-memory processes are addressed in this volume. Interesting topics for PhD students and specialists in probability theory, stochastic analysis and financial mathematics demonstrate the modern level of this field. Among these are results about Levy characterization of fractional Brownian motion, maximal moment inequalities for Wiener integrals including the values 0

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SIGMA: A stochastic-integration global minimization algorithm (MRC technical summary report)
Filippo Aluffi-Pentini
Manufacturer: Mathematics Research Center, University of Wisconsin
ProductGroup: Book
Binding: Unknown Binding

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ASIN: B0007393TE

Book Description

Tor Classics are affordably-priced editions designed to attract the young reader. Original dynamic cover art enthusiastically represents the excitement of each story. Appropriate "reader friendly" type sizes have been chosen for each title-offering clear, accurate, and readable text. All editions are complete and unabridged, and feature Introductions and Afterwords.This edition of To Build a Fire and Other Stories includes an Introduction, Biographical Note, and Afterword by David Lubar.It was so cold that his spit froze in the air before it hit the ground. He was so far above the Artic Circle that the sun never rose. Seventy below zero, and there was nothing but whiteness in every direction: ice and snow. No trees, no houses, no wood, no warmth.He had only a few matches and a handful of frozen fingers. And yet, to survive, he had to build a fire...Jack London's tales of adventure were unsurpassed because London was there. From Alaska to the Yukon, from the Klondike to the Arctic tundra, London knew the outlaws and the wolves, the prospectors and the grizzlies. In these collected stories of man against the wilderness, London lays claim to the title of greatest outdoor adventure writer of all time.

Customer Reviews:

Brilliantly Written.......2007-03-03

I read many of London's abridged novels when I was very young, but I never really appreciated his writing to the fullest extent until I read this collection of stories. These stories are not simple, shallow writings. They each have a message of their own, they take digesting. In each story the author reflects upon human nature and strikes a chord that rings true in all of us. After the end of each story, I had to pause and take in the story. As was noted previously, the highlight of this collection were tales in the Arctic setting, such as "To Build a Fire" and "The Oddysey." However, one of the greatest things about this collection is its diversity, and there are many great stories with varied settings. Although it is not guaranteed that you will enjoy each and every story, there is definately something for everyone. In conclusion, London's works are masterpieces that I highly recommend

Mixed Bag of Stories.......2006-10-17

London is a tremendously talented writer and his understanding of life matches his tremendous knowledge of the snow-enshrouded world of the upper latitudes. His writing can be beautiful, poignant, and powerful, yet also somber, morose, and infinitely real. However, in this collection, his Klondike stories stand out above all the others: "The League of the Old Men," "Love of Life," and the titular "To Build a Fire." These stories are the worthy stories, the others much less so hence the title of this review and my 3-star rating.

Years after reading this collection, what stood out was London's real, visceral language and description in "To Build a Fire." This is hard to forget, as is the blisful ignorance that characterizes the protagonist. London seems to be saying that we must respect and understand nature in order to survive and prosper. The protagonist's demise is more a shame than a tragedy because of his lack of understanding and appreciation for the harsh realities of his environment. Bottom line, those who refuse to give in to their lowest instincts and who do not truly respect nature do not survive.

Really good for an adventurer that can't get out much.......2006-08-19

Most of London's writings are great. One might find stories like "the droolers" not very interesting, but you can't blame London for wanting to diversify his stories a bit. The proceeding is only the opine of this reader.

This really doesn't review the book, but...........2005-10-10

Have any of you ever seen the old movie version of this book?
It's horribe!
Bad soundtrack, it sounds like the they played a boombox with a junky cassete and dying cown on the set, don't buy the movie version. And he trys to kill his dog for warmth.

London at his best and worst.......2005-08-30

The stories that have been selected for this collection show the entire range of Jack London; roughly half of the book features his trademark setting of the Klondike, while the other half showcases some of his less-well-known subjects, ranging from American cities to Pacific Asian islands.

On balance, the Klondike stories comprise the better half of the book. London is more at home in the far north, and every story shows us a new facet of the astonishing blend of cultures that must learn to cope with one another in a land that brooks no foolishness. Taken together, the stories give us an astonishingly comprehensive portrait of the region.

London's writing ages well; his cut-to-the-chase prose and fact-oriented descriptions are still riveting a hundred years after the fact. Additionally, his ear for dialogue and ability to insert philosophical musings into the story without compromising any forward motion are reminiscent of Twain.

Despite the fact that many of them end bleakly, the Klondike tales include a healthy dose of the fierce, joyful vitality that burns brightly in the chests of so many of his characters. He paints a picture of harsh men and harsh conditions, but the men are capable of great joy; the conditions great beauty.

While I enjoyed almost all of the Klondike writings, one of the great standouts was the epic "An Odyssey of the North," which features a man from a simple northern village whose prospective bride is stolen away by a visiting ship captain. The story is complex and unfolds over decades, leading up to a climax that keeps us in suspense until the last couple of pages. The characters and images were so vivid that I could easily imagine the thirty-page tale being turned into an epic trio of movies ala "Lord of the Rings."

Other Klondike stories that stood out include "The League of the Old Men," "Love of Life," and the titular "To Build a Fire."

The second half of the book fares less well than the first. While the backdrops are interesting and varied, London never seems as at ease as he does in the far north. He relies more heavily on simple narratives that illustrates an obvious "point" or "message," said message being telegraphed in the first couple of pages. Also, the characters often lack that spark of life that enlivened so many of the Klondike-dwellers; we are sometimes left to ask why these characters exist, and the answers are invariably depressing.

Perhaps the worst story is "South of the Slot," which features a man whose academic interest in the working class soon leads to a secret life as a blue collar worker that he enjoys more than his real life. While the values are admirable, the story itself is repetitive and predictable, which makes for a slow read.

But even though the quality isn't consistent, there are some real brilliant gems. "All Gold Canyon" gives us an entertaining and knowledgeable portrait of a gold prospector. "A Piece of Steak" is a heartbreaking and disturbing look at a desperate, aging boxer. "The Mexican" is another, very different, boxing story, which gives us a hero who we can't help but admire, even if we don't support his cause. And "Told in the Drooling Ward" might feature the most surprisingly likeable character London has ever created, an asylum resident who gives us a first-person account of his life.

As a reader, I strongly recommend this vibrant and engaging book. You are bound to find a story or two that speak very personally to you. Ideologically, this book shows us a marriage between rugged individualism and socialism that may give you pause.

There aren't many writers who have the entertaining storytelling capabilities of a Louis Lamour, and the academic credentials of a Melville, but London was just such a man. Enjoy!

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To Build a Fire and Other Stories
Jack London
Manufacturer: Penguin (Non-Classics)
ProductGroup: Book
Binding: Paperback

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Product Description

Penguin 60's are small books measuring 4.25 x 5.33 inches, published on the occasions of Penguin's 60th anniversary. This booklet contains three tales of endurance and adventure that range from the Klondike to the islands of the Pacific.

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To Build a Fire and Other Stories
Jack London
Manufacturer: Bt Bound
ProductGroup: Book
Binding: Library Binding

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To Build a Fire and Other Stories (Jack London Classics, Volume 4)

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To Build a Fire and Other Stories (Jack London Classics, Volume 4)

Manufacturer: Easton Press
ProductGroup: Book
Binding: Leather Bound
ASIN: B000ERH4EO

To Build a Fire and Other Stories Collector's Edition

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To Build a Fire and Other Stories Collector's Edition
Jack London
Manufacturer: Easton Press
ProductGroup: Book
Binding: Leather Bound
ASIN: B000KU3Y1M

To build a fire: And other stories (Ladder Series)

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To build a fire: And other stories (Ladder Series)
Jack London
Manufacturer: English Language Programs Division United States Information Agency
ProductGroup: Book
Binding: Unknown Binding

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White Fang + The Call of the Wild + The Sea-Wolf + To Build a Fire and Other Stories (Jack London Classics, 4 Volume Matched Set)

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White Fang + The Call of the Wild + The Sea-Wolf + To Build a Fire and Other Stories (Jack London Classics, 4 Volume Matched Set)

Manufacturer: Easton Press
ProductGroup: Book
Binding: Leather Bound
ASIN: B000ERI4EI

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To Build a Fire and Other Stories
Jack London
Manufacturer: Tandem Library
ProductGroup: Book
Binding: School & Library Binding

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To Build a Fire and Other Stories
Jack London
Manufacturer: Readers Digest
ProductGroup: Book
Binding: Hardcover
ASIN: B000PI3BM6

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To Build a Fire and Other Stories
Jack London
Manufacturer: Reader's Digest Association
ProductGroup: Book
Binding: Hardcover
ASIN: B000NSGJSQ

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