Additivity of vaporization enthalpy: Group and molecular contributions exemplified by alkylaromatic compounds and their derivatives

Solomonov, Boris N.; Yagofarov, Mikhail I.; Nagrimanov, Ruslan N.

doi:10.1016/j.molliq.2021.117472

Cited by 23 publications

(4 citation statements)

References 163 publications

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“…We also applied Eq. (7) with the estimates based on "molecular addivity" [26] and the correlation between the solvation enthalpy (enthalpy of transition from from the ideal gas to an infinitely diluted solution, Δ solv H ) and the molecular refraction (MR) [27]. First, it is fruitful to compare the vaporization enthalpies of 1-phenylnaphthalene and TNB.…”

Section: Vaporization and Sublimation Thermochemistrymentioning

confidence: 99%

Phase transition thermodynamics of 1,3,5-tris-(α-naphthyl)benzene: theory and experiment

Yagofarov,

Bolmatenkov,

Notfullin

et al. 2024

Preprint

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1,3,5-Tris-(α-naphthyl)benzene is an organic non-electrolyte with notable stability of an amorphous phase. Its glassy and supercooled liquid states were previously studied by spectroscopic and calorimetric methods. However, the thermodynamic parameters of phase transitions available from the literature are inconsistent. In this work, the heat capacities of crystalline and liquid phases, the temperature dependence of the saturated vapor pressures, fusion and vaporization enthalpies were determined using differential and fast scanning calorimetry and verified using the estimates based on solution calorimetry. The structural features of 1,3,5-tris-(α-naphthyl)benzene are discussed based on the computations performed and the data on the molecular refractivity. The consistency between the values obtained by independent techniques was demonstrated. The deviations in the previously published data were attributed to possible polymorphism.

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Section: Vaporization and Sublimation Thermochemistrymentioning

confidence: 99%

Phase transition thermodynamics of 1,3,5-tris-(α-naphthyl)benzene: theory and experiment

Yagofarov,

Bolmatenkov,

Notfullin

et al. 2024

Preprint

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“…The ∆ g l H(298 .15 K) value equaled (134.1 ± 3.2) + (38.5 ± 5.6) = 172.6 ± 6.4 kJ•mol −1 . One can compare the latter with the estimates based on "molecular additivity" [27] and the correlation between the solvation enthalpy (enthalpy of the transition from the ideal gas to an infinitely diluted solution, ∆ solv H) and the molecular refraction (MR) [28].…”

Section: Vaporization and Sublimation Thermochemistrymentioning

confidence: 99%

“…Then, the ∆ g l H(298 .15 K) of TNB can be evaluated as (81.9 − 34.8) • 3 + 34.8 kJ•mol −1 = 176.1 kJ•mol −1 (34.8 kJ•mol −1 corresponds to the ∆ g l H(298 .15 K) value of benzene accepted for the vaporization enthalpy calculation in Ref. [27]). It agrees with the experimental value within the measurement uncertainty.…”

Section: Vaporization and Sublimation Thermochemistrymentioning

confidence: 99%

Phase Transition Thermodynamics of 1,3,5-Tris-(α-naphthyl)benzene: Theory and Experiment

Yagofarov,

Bolmatenkov,

Notfullin

et al. 2024

Molecules

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1,3,5-Tris-(α-naphthyl)benzene is an organic non-electrolyte with notable stability of an amorphous phase. Its glassy and supercooled liquid states were previously studied by spectroscopic and calorimetric methods. Despite the continuing interest in its amorphous state and, particularly, vapor-deposited glasses, the thermodynamic parameters of the vaporization of 1,3,5-tris-(α-naphthyl)benzene have not been obtained yet. Likewise, the reliable evaluation of the thermodynamic parameters of fusion below the melting point, required to establish the thermodynamic state of its glass, is still an unsolved problem. In this work, the heat capacities of crystalline and liquid phases, the temperature dependence of the saturated vapor pressures, fusion and vaporization enthalpies were determined using differential and fast scanning calorimetry and were verified using the estimates based on solution calorimetry. The structural features of 1,3,5-tris-(α-naphthyl)benzene are discussed based on the computations performed and the data on the molecular refractivity. The consistency between the values obtained by independent techniques was demonstrated.

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“…The enthalpy of evaporation (sublimation/vaporization) of a chemical compound is a phase transition thermodynamics property was measured directly by calorimetric methods [10], [11] or indirectly from determination vapor pressure as a function to temperature [12], [13]. As consequence, the solution calorimetry was employed to determine the evaporation enthalpy of various compounds in specific solvents from solution enthalpy and solvation enthalpy values as estimated in previous works [14], [15], [16]- [20]. In this method, the solution enthalpy of the chemical compounds was measured solution calorimetry at standard temperature and solvation enthalpy the compounds in same solvent was established additivity scheme approach at 298.15 K [21]- [23].…”

Section: Introductionmentioning

confidence: 99%

Phase Transition Thermodynamic Properties Of 2-Methylquinoline, 2-Chloroquinoline And 2-Phenylquinoline

ABDULLAH,

SOLOMONOV

2023

International Journal of Thermodynamics

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Derivatives of quinoline are widely utilized in both industries and in healthcare. To understand the quinolines' quality and stability in usage, it is crucial to study their phase transition chemical thermodynamic characteristics. In this work, the phase transition thermodynamic characters of 2-methylquinoline (quinaldine), 2-chloroquinoline, and 2-phenylquinoline were investigated. Moreover, the sublimation/vaporization enthalpy of the compounds were determined the solution calorimetry-additivity scheme approach at 298.15 K. The solution calorimetry was applied to measure solution enthalpies of the compounds in benzene solvent at 298.15 K. While, the solvation enthalpy of the compounds were calculated additivity scheme approach. In addition, the transpiration method applied to estimate vapor pressure to temperature dependency to 2-Chloroquinoline. In consequence, the vapor pressure values with respect to temperature variation was determined to 2-Chloroquinoline compound for the first time. As a result, the phase transition chemical thermodynamic properties; enthalpy, entropy, and Gibbs energy for 2-methylquinoline, 2-chloroquinoline and 2-phenylquinoline were determined from crystalline/liquid to gas phase. Furthermore, in this work the thermochemical characteristics values of the studied compounds exhibited higher accuracy to those in literature data. Finally, the phase transition thermodynamically studied on 2-position of the quinoline compound, where it substituted to methyl, chloro and phenyl groups.

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Additivity of vaporization enthalpy: Group and molecular contributions exemplified by alkylaromatic compounds and their derivatives

Cited by 23 publications

References 163 publications

Phase transition thermodynamics of 1,3,5-tris-(α-naphthyl)benzene: theory and experiment

Phase transition thermodynamics of 1,3,5-tris-(α-naphthyl)benzene: theory and experiment

Phase Transition Thermodynamics of 1,3,5-Tris-(α-naphthyl)benzene: Theory and Experiment

Phase Transition Thermodynamic Properties Of 2-Methylquinoline, 2-Chloroquinoline And 2-Phenylquinoline

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