Thermodynamic functions of hydrogen bonding of amines in methanol derived from solution calorimetry data and headspace analysis

Zaitseva, Ksenia V.; Varfolomeev, Mikhail A.; Solomonov, Boris N.

doi:10.1016/j.tca.2012.02.005

Cited by 47 publications

(17 citation statements)

References 75 publications

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“…Enthalpies of solution were measured at 298.15 K using handmade semi-adiabatic calorimeter as described earlier. [ 21 22 ] The weight of the solute samples was 0.04–0.06 g. Obtained values of solution enthalpies correspond to the limiting dilution conditions which were confirmed by the absence of concentration dependence of solution enthalpies within the boundaries of their uncertainties. Each experiment was reproduced at least 4 times.…”

Section: Methodsmentioning

confidence: 52%

Thermodynamics of dissolution and infrared-spectroscopy of solid dispersions of phenacetin

Gerasimov

Varfolomeev

Зиганшин

et al. 2016

J Adv Pharm Technol Res

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In this work enthalpies of dissolution in water of polyethylene glycols (PEGs) having an average molecular weight of 1000 and 1400, Pluronic-F127, phenacetin as well as the composites prepared from them were measured using solution calorimetry at 298.15 K. Intermolecular interaction energies of polymer-phenacetin were calculated on the basis of an additive scheme. It was shown that for mixtures with high content of polymer (>90 wt%) Pluronic-F127 has the highest solubilizing effect, while for mixtures with (4–6):1 polymer: phenacetin ratio the best solubilizing agent is PEG-1400. Infrared-spectra showed a decrease of the number of self-associated molecules of phenacetin with increasing of polymer content in the composites. The obtained results enabled us to identify the features of intermolecular interactions of polymers with a model hydrophobic drug and may be used for optimizing the conditions for preparing solid dispersions based on hydrophilic polymers.

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Section: Methodsmentioning

confidence: 52%

Thermodynamics of dissolution and infrared-spectroscopy of solid dispersions of phenacetin

Gerasimov

Varfolomeev

Зиганшин

et al. 2016

J Adv Pharm Technol Res

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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: 91%

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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“…A detailed experimental procedure was published previously. 18,19 According to this procedure, an ampule breaking technique was applied to determine the heat effect of dissolution of 2-methyl-1,4benzoquinone in benzene. In each experiment, an ampule filled with about 0.05 g of studied compound was dropped in the glass cell with 100 mL of pure solvent.…”

Section: Experimental Details and Calculationsmentioning

confidence: 99%

“…Enthalpy of solution of 2-methyl-1,4-benzoquinone in benzene was measured at T = 298.15 ± 0.01 K using a semiadiabatic solution calorimeter constructed in Kazan University. A detailed experimental procedure was published previously. , According to this procedure, an ampule breaking technique was applied to determine the heat effect of dissolution of 2-methyl-1,4-benzoquinone in benzene. In each experiment, an ampule filled with about 0.05 g of studied compound was dropped in the glass cell with 100 mL of pure solvent.…”

Section: Experimental Details and Calculationsmentioning

confidence: 99%

“…Full assignment of the vibrational spectrum of p -Qu was made in ref . On the basis of the frequencies measured in different physical states including the spectra of deuterated and isotope O containing molecules, the authors obtained a combined spectrum of p -Qu (see Table S2). As noted before, they calculated the entropy S ° , the heat capacity C p , the reduced enthalpy ( H T 0 – H 0 0 )/ T and the reduced free energy −( G T 0 – H 0 0 )/ T within the scope of the RRHO model in the range 273.15–1500 K (Supporting Information) using this set of frequencies.…”

Section: Experimental Details and Calculationsmentioning

confidence: 99%

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Thermodynamic Properties of 1,4-Benzoquinones in Gaseous and Condensed Phases: Experimental and Theoretical Studies

et al. 2017

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A complete study of thermodynamic properties of 1,4-benzoquinones in the condensed and gaseous phases was carried out using experimental techniques and theoretical approaches. Enthalpies of combustion and formation of 2-methyl-1,4-benzoquinone were evaluated using combustion calorimetry. The transpiration method was utilized to determine the temperature dependence of the vapor pressures of 1,4-benzoquinone and 2-methyl-1,4-benzoquinone for the sublimation and vaporization enthalpies calculation. The group additivity scheme was used independently for verification of sublimation enthalpy of 2-methyl-1,4-benzoquinone. For this procedure the enthalpy of solution of 2-methyl-1,4-benzoquinone in benzene was measured at 298.15 K. The experimental values obtained were combined with published data and organized to obtain a reliable set of the experimental enthalpies of formation and enthalpies of phase transition of compounds. The methods of quantum chemistry and statistical physics based on the “rigid rotator–anharmonic oscillator” model were used to calculate thermodynamic functions of 1,4-benzoquinones in the ideal gas state in the temperature range 273.15–1500 K. The strain enthalpy and the enthalpy of π-conjugation were also estimated.

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Thermodynamic functions of hydrogen bonding of amines in methanol derived from solution calorimetry data and headspace analysis

Cited by 47 publications

References 75 publications

Thermodynamics of dissolution and infrared-spectroscopy of solid dispersions of phenacetin

Thermodynamics of dissolution and infrared-spectroscopy of solid dispersions of phenacetin

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

Thermodynamic Properties of 1,4-Benzoquinones in Gaseous and Condensed Phases: Experimental and Theoretical Studies

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