Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Toluene and Carbon Tetrachloride Based on the Abraham Model

Mintz, Christina; Clark, Michael P.; Burton, Katherine; Acree, William E.; Abraham, Michael H.

doi:10.1007/s10953-007-9163-0

Cited by 42 publications

(25 citation statements)

References 96 publications

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“…This study continues our combined experimental and theoretical examination of gas-toorganic solvent transfer processes for nonelectrolyte solutes [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19]. Such processes govern chemical separations by gas-liquid chromatography, measurement of solubilities and activity coefficients by inert-gas stripping methods, and the removal and pre-concentration of volatile organic solutes from aqueous analytical samples using headspace single drop micro-extraction methods.…”

Section: Introductionmentioning

confidence: 89%

“…In previous publications [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15] we have developed Abraham model correlations:…”

Section: Introductionmentioning

confidence: 99%

“…The organic solvents included several saturated hydrocarbons [1,2] and aromatic hydrocarbons [1,3,4], chlorinated alkanes [4][5][6], several primary, secondary and tertiary alcohols [7][8][9][10][11], two dialkyl carbonates [12], one alkyl acetate solvent [13], one dialkyl ether [13] and two cyclic ethers [6,8], as well as several miscellaneous organic solvents [9,14,15]. In each case eqns.…”

Section: Introductionmentioning

confidence: 99%

“…Numerical values of the solvent properties are determined by solving a series of equations generated from measured solute transfer properties for solutes with known solute descriptors. The ah,l equation coefficients for benzene, mesitylene and p-xylene were recently used [3] to examine weak X-H…π (X -O,N, and C) hydrogen bonding of 4 aromatic solvents with different proton donors. Hydrogen-bonding enthalpies calculated as the product of ah,l ·A (e.g., ΔHBH 0 = ah,l ·A) were in good agreement with values calculated using the Solomonov et al method [33].…”

Section: Introductionmentioning

confidence: 99%

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Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations

et al. 2015

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Enthalpies of solution at infinite dilution at 298 K, ΔsolnH A/Solvent , have been measured by isothermal solution calorimetry for 43 and 72 organic solutes dissolved in chlorobenzene and 1,2-dichlorobenzene, respectively. The measured ΔsolnH A/Solvent data, along with published ΔsolnH A/Solvent values taken from the published literature for solutes dissolved in both chlorobenzene solvents, were converted to enthalpies of solvation, ΔsolvH A/Solvent , using standard thermodynamic equations. Abraham model correlations were developed from the experimental ΔsolvH A/Solvent data. The best derived correlations describe the experimental gas-to-chlorobenzene and gas-to-1,2-dichlorobenzene enthalpies of solvation to within standard deviations of 1.5 kJ mol -1 and 1.9 kJ mol -1 , respectively. Enthalpies of X-H…π (X -O, N, and C) hydrogen bond formation of proton donor solutes (alcohols, amines, chlorinated hydrocarbons and etc.) with chlorobenzene and 1,2-dichlorobenzene were calculated based on the Abraham solvation equation. Obtained values are in good agreement with the results determined using conventional methods.

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Section: Introductionmentioning

confidence: 89%

“…In previous publications [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15] we have developed Abraham model correlations:…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations

et al. 2015

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“…To date we have derived correlations for estimating the enthalpies of solvation of gaseous solutes in water, 1-octanol, heptane, hexadecane, cyclohexane, benzene, toluene, carbon tetrachloride, dimethyl sulfoxide and propylene carbonate [1][2][3][4]. Each correlation was based on experimental data for a minimum of 100 organic and inorganic solutes.…”

Section: Introductionmentioning

confidence: 99%

Enthalpy of solvation correlations for gaseous solutes dissolved in chloroform and 1,2-dichloroethane based on the Abraham model

Mintz

Burton

Acree

et al. 2007

Fluid Phase Equilibria

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Enthalpy of solvation data have been compiled from the published literature for more than 80 solutes dissolved in chloroform and 1,2-dichloromethane. Mathematical correlations based on the Abraham general solvation parameter model are developed for describing the experimental solvation enthalpies to within standard deviations of 2.10 kJ/mole (chloroform) and 1.72 kJ/mole (1,2-dichloroethane). Division of the measured values into a training set and a test set shows that there is no bias in predictions, and that the estimative capability of the correlations is better than 2.5 kJ/mole.

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Solution calorimetry of organic nonelectrolytes as a tool for investigation of intermolecular interactions

Solomonov

Novikov

2007

J of Physical Organic Chem

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The paper is mainly the review and generalization of the previous publications of the authors. It demonstrates that solution calorimetry method gives the opportunities of more detailed understanding of various aspects of intermolecular interactions in solution. We are assured that prerequisite to such an understanding is the successive analysis of various solute–solvent systems from the simplest ones which include alkanes as a solute or as a solvent to the most complex systems with solvent self‐association via hydrogen bonding. Particular findings discussed in this paper are (i) an inconspicuous contribution of electrostatic solute–solvent interaction to the solvation enthalpy and, accordingly, the dominating contribution of dispersion interactions for nonspecifically solvated solutes; (ii) new, very general method for the extraction of specific interaction enthalpy from the enthalpy of solvation; (iii) new method of determination of self‐association enthalpies for the solvents associated via hydrogen bonding; (iv) new method for determination of cooperative hydrogen bonding enthalpies of proton acceptors with associated species of alcohols; (v) the unique method of experimental determination of the hydrophobic effect enthalpy. Copyright © 2007 John Wiley & Sons, Ltd.

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Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Toluene and Carbon Tetrachloride Based on the Abraham Model

Cited by 42 publications

References 96 publications

Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations

Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations

Enthalpy of solvation correlations for gaseous solutes dissolved in chloroform and 1,2-dichloroethane based on the Abraham model

Solution calorimetry of organic nonelectrolytes as a tool for investigation of intermolecular interactions

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