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 Decade: 2010-2019
 Language: English
 Collection: UNT Scholarly Works
Response to "A critique of Abraham and Acree's correlation for deca-1,9-diene/water partition coefficients"

Response to "A critique of Abraham and Acree's correlation for deca-1,9-diene/water partition coefficients"

Date: February 1, 2013
Creator: Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Description: This article is a response to "A critique of Abraham and Acree's correlation for deca-1,9-diene/water partition coefficients." Abstract: The manuscript responds to the critique of Nitsche and Kasting concerning our published correlation for deca-1,9-diene-water partition coefficients. Several statements made in the critique are refuded, and shown to be misrepresentations of ideas contained in our earlier paper.
Contributing Partner: UNT College of Arts and Sciences
The Biological and Toxicological Activity of Gases and Vapors

The Biological and Toxicological Activity of Gases and Vapors

Date: March 2010
Creator: Abraham, Michael H.; Sánchez-Moreno, Ricardo; Gil-Lostes, Javier; Acree, William E. (William Eugene); Cometto-Muñiz, J. Enrique & Cain, William S.
Description: This article discusses the biological and toxicological activity of gases and vapors. Abstract: A large amount of data on the biological and toxicological activity of gases and vapors has been collected from the literature. Processes include sensory irritation thresholds, the Alarie mouse test, inhalation anasthesia, etc. It is shown that a single equation using only five descriptors (properties of the gases and vapors) plus a set of indicator variables for the given processes can correlate 643 biological and non-lethal toxicological activities of 'non-reactive' compounds with a standard deviation of 0.36 log unit. The equation is scaled to sensory irritation thresholds obtained by the procedure of Cometto-Muñiz, and Cain, and provides a general equation for the prediction of sensory irritation thresholds in man. It is suggested that differences in biological/toxicological activity arise primarily from transport from the gas phase to a receptor phase or area, except for odor detection thresholds where interaction with a receptor(s) is important.
Contributing Partner: UNT College of Arts and Sciences
IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 1. Binary Solvent Mixtures

IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 1. Binary Solvent Mixtures

Date: February 28, 2013
Creator: Acree, William E. (William Eugene)
Description: This article discusses the solubility of polycyclic aromatic hydrocarbons in pure and organic solvent mixtures. Abstract: This work updates Vols. 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in binary organic solvent mixtures. Published solubility data for anthracene, naphthalene, phenanthrene, phenothiazine, and pyrene that appeared in the primary literature between 1995 to the end of 2011 are compiled and critically evaluated. Experimental solubility data for 360 different solute-binary solvent systems are included in the volume. Solubility data published prior to 1995 were contained in three earlier volumes (Vols. 54, 58, and 59) and are not repeated in this volume.
Contributing Partner: UNT College of Arts and Sciences
IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 2. Ternary Solvent Mixtures

IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 2. Ternary Solvent Mixtures

Date: February 28, 2013
Creator: Acree, William E. (William Eugene)
Description: This article discusses the solubility of polycyclic aromatic hydrocarbons in pure and organic solvent mixtures. Abstract: This work updates Vols. 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in ternary organic solvent mixtures. Published solubility data for anthracene, phenanthrene, and pyrene that appeared in the primary literature between 1995 to the end of 2011 are compiled and critically evaluated. Experimental solubility data for 119 different solute-ternary solvent systems are included in the volume. Solubility data published prior to 1995 were contained in three earlier volumes (Vols. 54, 58, and 59) and are not repeated here.
Contributing Partner: UNT College of Arts and Sciences
IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures-Revised and Updated. Part 3. Neat Organic Solvents

IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures-Revised and Updated. Part 3. Neat Organic Solvents

Date: March 4, 2013
Creator: Acree, William E. (William Eugene)
Description: This article discusses the solubility of polycyclic aromatic hydrocarbons in pure and organic solvent mixtures. Abstract: This work updates Vols. 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in neat organic solvents. Published solubility data for acenaphthene, anthracene, biphenyl, carbazole, dibenzofuran, dibenzothiophene, fluoranthene, fluorene, naphthalene, phenanthrene, phenothiazine, pyrene, thianthrene, and xanthene that appeared in the primary literature from 1995 to the end of 2011 are compiled and critically evaluated. Experimental solubility data for more than 550 different solute-organic solvent systems are included. Solubility data published prior to 1995 were contained in three earlier volumes (Vols. 54, 58, and 59) and are not repeated in this volume.
Contributing Partner: UNT College of Arts and Sciences
The transfer of neutral molecules, ions and ionic species from water to benzonitrile; comparison with nitrobenzene

The transfer of neutral molecules, ions and ionic species from water to benzonitrile; comparison with nitrobenzene

Date: October 15, 2011
Creator: Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Description: This article discusses the transfer of neutral molecules, ions and ionic species from water to benzonitrile; comparison with nitrobenzene. Equations have been constructed for the transfer of 64 neutral solutes from water and from the gas phase to the solvent benzonitrile. The equations contain five descriptors and can be used to predict further values of the water-benzonitrile and gas-benzonitrile partition coefficients for a wide range of solutes. The water-benzonitrile equation has been extended to include ions and ionic species derived from acids by loss of a proton and bases by acceptance of a proton. Only two further descriptors are needed, one for anions and one for cations. A previous equation for transfer of neutral solutes from water to nitrobenzene has also been extended to include ions and ionic species. Comparison of the equations for transfer to benzonitrile and to nitrobenzene shows that the two solvents behave quite similarly, although benzonitrile as a solvent is a stronger hydrogen bond base.
Contributing Partner: UNT College of Arts and Sciences
Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2010

Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2010

Date: October 4, 2010
Creator: Acree, William E. (William Eugene) & Chickos, James S.
Description: This article discusses phase transition enthalpy measurements of organic and organometallic compounds. A compendium of phase change enthalpies published within the period 1880-2010 is reported. Phase change enthalpies including fusion, vaporization, and sublimation are included for organic, organometallic, and a few inorganic compounds. This compendium is a combination of three previous series focusing on phase change enthalpies updated to 2009. Sufficient data are presently available for some compounds to permit thermodynamic cycles to be constructed, an important manner of evaluating the reliability of the measurements. Temperature adjustments of phase change enthalpies from the temperature of measurement to the standard reference temperature, T = 298.15 K, are briefly discussed and a protocol for doing so is illustrated.
Contributing Partner: UNT College of Arts and Sciences
Prediction of Partition Coeffecients  and Permeability of Drug Molecules in Biological Systems with Abraham Model Solute Descriptors Derived from Measured Solubilities and Water-to-Organic Solvent Partition Coefficients

Prediction of Partition Coeffecients and Permeability of Drug Molecules in Biological Systems with Abraham Model Solute Descriptors Derived from Measured Solubilities and Water-to-Organic Solvent Partition Coefficients

Date: February 10, 2012
Creator: Acree, William E. (William Eugene); Grubbs, Laura M. & Abraham, M. H. (Michael H.)
Description: This book chapter discusses the prediction of partition coefficients and permeability of drug molecules in biological systems with Abraham model solute descriptors derived from measured solubilities and water-to-organic solvent partition coefficients.
Contributing Partner: UNT College of Arts and Sciences
Prediction of Toxicity, Sensory Responses and Biological Responses with the Abraham Model

Prediction of Toxicity, Sensory Responses and Biological Responses with the Abraham Model

Date: February 10, 2012
Creator: Acree, William E. (William Eugene); Grubbs, Laura M. & Abraham, M. H. (Michael H.)
Description: This book chapter discusses the prediction of toxicity, sensory responses and biological responses with the Abraham model.
Contributing Partner: UNT College of Arts and Sciences
Selection of Ionic Liquid Solvents for Chemical Separations Based on the Abraham Model

Selection of Ionic Liquid Solvents for Chemical Separations Based on the Abraham Model

Date: February 21, 2011
Creator: Acree, William E. (William Eugene); Grubbs, Laura M. & Abraham, M. H. (Michael H.)
Description: This book chapter discusses the selection of ionic liquid solvents for chemical separations based on the Abraham model.
Contributing Partner: UNT College of Arts and Sciences
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