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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
Permallink:digital.library.unt.edu/ark:/67531/metadc152438/
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
Permallink:digital.library.unt.edu/ark:/67531/metadc152441/
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
Permallink:digital.library.unt.edu/ark:/67531/metadc152454/
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
Permallink:digital.library.unt.edu/ark:/67531/metadc152455/
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
Permallink:digital.library.unt.edu/ark:/67531/metadc152456/
Solubility of Phenylacetic Acid in Binary Solvent Mixtures
Date: January 1985
Creator: Acree, William E. (William Eugene)
Description: This article discusses the solubility of phenylacetic acid in binary solvent mixtures. Abstract: Solubilities are reported for phenylacetic acid at 25.0 °C in binary mixtures of carbon tetrachloride with cyclohexane, n-heptane, n-octane, or isooctane and mixtures of cyclohexane with n-heptane or isooctane. The results are compared to the predictions of equations developed previously for solubility in systems of purely nonspecific interactions, with phenylacetic acid considered as either monomeric or dimeric molecules in solution. The dimer model provided the more accurate predictions and described the 15-fold range of solubilities in the carbon tetrachloride + isooctane system to within a maximum deviation of 15%.
Contributing Partner: UNT College of Arts and Sciences
Permallink:digital.library.unt.edu/ark:/67531/metadc152445/
Thermochemical Investigations of Gas-Liquid Chromatography. Partition Coefficients of Inert Solutes on Self-Associating Binary Solvent Mixtures
Date: April 1982
Creator: Acree, William E. (William Eugene)
Description: This article discusses partition coefficients of inert solutes on self-associating binary solvent mixtures. Abstract: A conventional nonelectrolyte solution model which has led to successful predictive equations for the partial molar excess properties of a solute in simple binary solvent systems is extended to include self-associating solvent components. An expression is developed and tested for its ability to describe gas-liquid partition coefficients in mixed solvents from measurements in the pure solvents. For n-hexane, n-heptane, and cyclohexane on blended mixtures of n-hexadecane and n-octadecane with N,N-dibutyl-2-ethylhexylamide, the newly derived expression is found to describe the chromatographic data to within 2%.
Contributing Partner: UNT College of Arts and Sciences
Permallink:digital.library.unt.edu/ark:/67531/metadc152444/
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
Permallink:digital.library.unt.edu/ark:/67531/metadc157294/
Thermochemical Investigations of Nearly Ideal Binary Solvents. 3. Solubility in Systems of Nonspecific Interactions
Date: June 1977
Creator: Acree, William E. (William Eugene) & Bertrand, Gary L.
Description: This article discusses thermochemical investigations of nearly ideal binary solvents. Abstract: The simple model which has previously led to successful predictive equations for the partial molar excess enthalpy of a solute in nearly ideal binary solvents has been slightly modified for application to the partial molar excess Gibbs free energy (excess chemical potential) of the solute in these systems. Three predictive equations are derived and tested for their ability to predict solubility in mixed solvents from measurements in the pure solvents. The most successful equation involves volumetrically weighted interaction parameters for the excess Gibbs free energy relative to the Flory-Huggins entropy of mixing, and predicts solubility in 22 systems containing naphthalene, iodine, and stannic iodide as solutes with an average deviation of 1.5% and a maximum deviation of 4%, using no adjustable parameters.
Contributing Partner: UNT College of Arts and Sciences
Permallink:digital.library.unt.edu/ark:/67531/metadc152443/
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
Permallink:digital.library.unt.edu/ark:/67531/metadc152426/