Equations for the Transfer of Neutral Molecules and Ionic Species from Water to Organic phases

PDF Version Also Available for Download.

Description

Article on equations for the transfer of neutral molecules and ionic species from water to organic phases.

Physical Description

10 p.

Creation Information

Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene) January 25, 2010.

Context

This article is part of the collection entitled: UNT Scholarly Works and was provided by UNT College of Arts and Sciences to Digital Library, a digital repository hosted by the UNT Libraries. It has been viewed 251 times . More information about this article can be viewed below.

Who

People and organizations associated with either the creation of this article or its content.

Authors

Publisher

Provided By

UNT College of Arts and Sciences

The UNT College of Arts and Sciences educates students in traditional liberal arts, performing arts, sciences, professional, and technical academic programs. In addition to its departments, the college includes academic centers, institutes, programs, and offices providing diverse courses of study.

Contact Us

What

Descriptive information to help identify this article. Follow the links below to find similar items on the Digital Library.

Degree Information

Description

Article on equations for the transfer of neutral molecules and ionic species from water to organic phases.

Physical Description

10 p.

Notes

Reprinted with permission from the Journal of Organic Chemistry. Copyright 2010 American Chemical Society.

Abstract: Equations that can be used for partition coefficients of both neutral molecules and ions have been revised, and the term that is specific to ions has been re-evaluated. A new method has been devised for the determination of partition coefficients from water to organic solvents for carboxylate anions that is based on the variation of pKa for carboxylic acids with solvent. Using these partition coefficients, descriptors for carboxylate anions, on the same scale as descriptors for neutral molecules, have been obtained for 71 such anions. For 13 carboxylate anions in a test set, descriptors could be predicted that in turn led to predictions of 78 log P values over six water−solvent systems with an absolute error of 0.13 and a standard deviation of only 0.55 log units. Descriptors have been obtained for 26 protonated amines as a training set and descriptors predicted for 17 protonated amines as a test set. The predicted descriptors in turn led to the prediction of 18 log P values for protonated amines with an absolute error of 0.09 and a standard deviation of 0.39 log units. The carboxylate anions are the strongest monofunctional hydrogen bond bases, and the protonated amines are the strongest monofunctional hydrogen bond acids that we have studied.

Source

  • Journal of Organic Chemistry, 2010, Washington D.C.: American Chemical Society, pp. 1006-1015

Language

Item Type

Identifier

Unique identifying numbers for this article in the Digital Library or other systems.

Publication Information

  • Publication Title: Journal of Organic Chemistry
  • Volume: 75
  • Issue: 4
  • Page Start: 1006
  • Page End: 1015
  • Peer Reviewed: Yes

Collections

This article is part of the following collection of related materials.

UNT Scholarly Works

Materials from the UNT community's research, creative, and scholarly activities and UNT's Open Access Repository. Access to some items in this collection may be restricted.

What responsibilities do I have when using this article?

When

Dates and time periods associated with this article.

Creation Date

  • January 25, 2010

Added to The UNT Digital Library

  • July 24, 2013, 1:20 p.m.

Description Last Updated

  • Jan. 9, 2015, 5:17 p.m.

Usage Statistics

When was this article last used?

Yesterday: 0
Past 30 days: 1
Total Uses: 251

Interact With This Article

Here are some suggestions for what to do next.

Start Reading

PDF Version Also Available for Download.

International Image Interoperability Framework

IIF Logo

We support the IIIF Presentation API

Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene). Equations for the Transfer of Neutral Molecules and Ionic Species from Water to Organic phases, article, January 25, 2010; [Washington, D.C.]. (digital.library.unt.edu/ark:/67531/metadc174719/: accessed September 25, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.