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Benzoic acid derivatives: Evaluation of thermochemical properties with complementary experimental and computational methods

Verevkin S.; Zaitsau D.; Emeĺyanenko V.; Stepurko E.; Zherikova K. (2015)

© 2015 Elsevier B.V. Molar sublimation enthalpies of the methyl- and methoxybenzoic acids were derived from the transpiration method, static method, and TGA. Thermochemical data available in the literature were collected, ...
Determination of sublimation enthalpies of substituted benzophenones, fluorenes and diphenyl ethers by solution calorimetry approach

Nagrimanov R.; Samatov A.; Buzyorov A.; Solomonov B. (2017)

© 2017 Elsevier B.V. An approach for the determination of solvation enthalpies of substituted aromatic compounds is developed. In this work the solvation enthalpy of a reference unit (benzophenone, fluorene and diphenyl ...
Energetic structure–property relationships in thermochemistry of halogenosubstituted benzoic acids

Zherikova K.; Verevkin S. (2019)

© 2019, Akadémiai Kiadó, Budapest, Hungary. Abstract: Experimental thermodynamic properties of halogenosubstituted benzoic acids have been evaluated with the help of complementary in silico methods. The study encompassed ...
Enthalpies of fusion and enthalpies of solvation of aromatic hydrocarbons derivatives: Estimation of sublimation enthalpies at 298.15 K

Solomonov B.; Nagrimanov R.; Varfolomeev M.; Buzyurov A.; Mukhametzyanov T. (2016)

© 2016 Elsevier B.V. All rights reserved.Enthalpy of sublimation of solid compound can be found using the values of solution enthalpy and solvation enthalpy in any solvent. In this work enthalpies of solution at infinite ...
Enthalpies of solution, enthalpies of fusion and enthalpies of solvation of polyaromatic hydrocarbons: Instruments for determination of sublimation enthalpy at 298.15K

Solomonov B.; Varfolomeev M.; Nagrimanov R.; Mukhametzyanov T.; Novikov V. (2015)

© 2015. In this work a simple method for calculation of solvation enthalpies of polyaromatic hydrocarbons (PAHs) in various solvents at 298.15. K was proposed. According to this method the enthalpy of solvation of any ...
Estimation of sublimation enthalpies of aromatic amides at 298.15 K from the values of fusion enthalpies

Yagofarov M.; Nagrimanov R.; Solomonov B. (2016)

© 2016 Elsevier B.V.In this work a method for determination of sublimation enthalpies of amides substituted in aromatic ring from data on fusion enthalpies at the melting temperature was proposed. This method was checked ...
Fusion enthalpies of benzoic acid derivatives, aromatic and heteroaromatic carboxylic acids as a tool for estimation of sublimation enthalpies at 298.15 K

Solomonov B.; Nagrimanov R.; Yagofarov M. (2016)

© 2016 Elsevier B.V.In this work a method of estimation of sublimation enthalpies of benzoic acid derivatives and aromatic or heteroaromatic carboxylic acids was developed. The method is based on calculation of sublimation ...
Long-chain linear alcohols: Reconciliation of phase transition enthalpies

Nagrimanov R.N.; Samatov A.A.; Nasyrova T.M.; Buzyurov A.V.; Mukhametzyanov T.A.; Schick C.; Solomonov B.N.; Verevkin S.P. (2020)

© 2020 Elsevier Ltd Thermodynamics of phase transitions of long-chain linear alcohols were revised by means of complementary experimental techniques: transpiration, differential scanning calorimetry (DSC), fast scanning ...
Modified solution calorimetry approach for determination of vaporization and sublimation enthalpies of branched-chain aliphatic and alkyl aromatic compounds at T = 298.15 K

Varfolomeev M.; Novikov V.; Nagrimanov R.; Solomonov B. (2015)

© 2015 Elsevier Ltd. All rights reserved. The enthalpies of solution, solvation and vaporization/sublimation are interrelated values combined in the simplest thermodynamic circle. Hence, experimental determination of ...
New method for determination of vaporization and sublimation enthalpy of aromatic compounds at 298.15 K using solution calorimetry technique and group-additivity scheme

Solomonov B.; Varfolomeev M.; Nagrimanov R.; Novikov V.; Buzyurov A.; Fedorova Y.; Mukhametzyanov T. (2015)

© 2015 Elsevier B.V. All rights reserved. In this work a new method for determination of vaporization/sublimation enthalpies of aromatic compounds directly at T = 298.15 K was developed. This method is based on the general ...
Non-additivity in the solvation enthalpies of NH-containing compounds and estimation of their sublimation enthalpies at 298 K

Nagrimanov R.; Samatov A.; Nasyrova T.; Solomonov B. (2017)

© 2017 Elsevier B.V. In the present work, we have developed an additivity scheme for the calculation of solvation enthalpies of NH-containing compounds capable of hydrogen bond formation with solvent. The solvation enthalpies ...
Relationships between fusion, solution, vaporization and sublimation enthalpies of substituted phenols

Yagofarov M.; Nagrimanov R.; Solomonov B. (2017)

© 2016 Elsevier LtdIn this work a method for determination of sublimation and vaporization enthalpies of substituted phenols was developed. This method is a modification of solution calorimetry approach. Modification is ...
Solution calorimetry as a complementary tool for the determination of enthalpies of vaporization and sublimation of low volatile compounds at 298.15 K

Solomonov B.; Varfolomeev M.; Nagrimanov R.; Novikov V.; Zaitsau D.; Verevkin S. (2014)

In this work a new solution-based calorimetry approach for determination of the sublimation and vaporization enthalpies of low volatile compounds was proposed. The approach is based on the measurement of solution enthalpy ...
Structure–property relationships in halogenbenzoic acids: Thermodynamics of sublimation, fusion, vaporization and solubility

Zherikova K.; Svetlov A.; Kuratieva N.; Verevkin S. (2016)

© 2016 Elsevier LtdTemperature dependences of vapor pressures for 2-, 3-, and 4-bromobenzoic acid, as well as for five isomeric bromo-methylbenzoic acids were studied by the transpiration method. Melting temperatures and ...
Sublimation enthalpies of 9 substituted acetanilides at 298 K estimated by solution calorimetry approach

Yagofarov M.; Nagrimanov R.; Solomonov B. (2017)

© 2017 Elsevier B.V. In this work a solution calorimetry approach was applied for determination of the sublimation enthalpies of 9 substituted acetanilides. The solution enthalpies of acetanilide and 9 its derivatives in ...
Thermochemical properties of mono- and di-cyano-aromatic compounds at 298.15 K

Nagrimanov R.; Samatov A.; Buzyurov A.; Kurshev A.; Ziganshin M.; Zaitsau D.; Solomonov B. (2018)

© 2018 Elsevier B.V. The solution calorimetry approach was applied for the determination of the sublimation enthalpies for cyano-aromatic compounds. According to this approach, the vaporization/sublimation enthalpies were ...
Thermochemical properties of pyrazine derivatives as seminal liquid organic hydrogen carriers for hydrogen storage

Verevkin S.P.; Nagrimanov R.N.; Zaitsau D.H.; Konnova M.E.; Pimerzin A.A. (2021)

This work contributes to our primary interest in applications of experimental and computational thermochemistry methods for providing the basic data required in chemical-process design. Pyrazine derivatives are considered ...
Thermochemistry of 1,3-diethylbarbituric and 1,3-diethyl-2-thiobarbituric acids: Experimental and computational study

Notario R.; Roux M.; Ros F.; Emel'Yanenko V.; Zaitsau D.; Verevkin S. (2014)

This paper reports an experimental and computational thermochemical study on two barbituric acid derivatives, viz. 1,3-diethylbarbituric acid and 1,3-diethyl-2-thiobarbituric acid. Values of standard molar enthalpies of ...
Thermochemistry of organic azides revisited Dedicated to Prof. Ch. Rüchardt on the Occasion of His 85th Birthday

Emel'Yanenko V.; Algarra M.; Esteves Da Silva J.; Hierrezuelo J.; López-Romero J.; Verevkin S. (2014)

© 2014 Elsevier B.V. Highly pure samples of 4-nitro-phenyl azide, 1-octyl azide and 1 decyl-azide were prepared for thermochemical studies. Vapour pressures over the solid and the liquid sample of 4-nitro-phenyl azide have ...
Thermochemistry of phase transitions of aromatic amines: Estimation of the sublimation enthalpy at 298.15 K through the fusion enthalpy

Yagofarov M.; Nagrimanov R.; Solomonov B. (2017)

© 2017 Elsevier Ltd In the present work two methods of determination of sublimation enthalpies at 298.15 K based on solution enthalpies at 298.15 K and fusion enthalpies at the melting temperatures were applied for aromatic ...

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