SavedAdd your journal

Journals / Journal of Physical Chemistry and Functional Materials / 2026 / Volume: 9 Issue: 1

Enthalpies of phase change for para substituted benzonitriles applied solution calorimetry-additive scheme approach

Rawand Samad(Salahaddin University - Erbil)0000-0001-7072-6358
Pages
—
Publication Date
2026-06-29
🏛️Bibliographic metadata and full text access for this article are provided via DergiPark.
DergiPark Record ↗
✨

AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

Accordingly, the values obtained in this work were compared to those literature data, there is got them with higher accuracy as well as the para position affect on phase transition enthalpies.

📌 3 Key Takeaways

🎯
Objective & Hypothesis:Benzonitriles are basic compounds in manufacturing LED lamps.
📊
Key Findings & Data:In addition, evaporation enthalpy measured at 298.15 K solution calorimetry method from solvation enthalpy and solution enthalpy of the compounds.
💡
Conclusion & Impact:Accordingly, the values obtained in this work were compared to those literature data, there is got them with higher accuracy as well as the para position affect on phase transition enthalpies.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:enthalpy of solution · enthalpy of solvation · benzonitriles

Abstract

Benzonitriles are basic compounds in manufacturing LED lamps. To get high quality and stability of the lamps it is crucial to know phase transition thermodynamics. Therefore, studying on solvation and evaporation enthalpies of the substituted benzonitriles have been crucial working. The solvation and evaporation enthalpies are determined the additive scheme approach and solution calorimetry method. In addition, evaporation enthalpy measured at 298.15 K solution calorimetry method from solvation enthalpy and solution enthalpy of the compounds. Enthalpy of solution values of the compounds into benzonitrile solvent are measure in high accuracy which their standard deviation are less than 1 kJ mole-1. Accordingly, the values obtained in this work were compared to those literature data, there is got them with higher accuracy as well as the para position affect on phase transition enthalpies.

🔖

Cite This Article

Samad, R. (2026). Enthalpies of phase change for para substituted benzonitriles applied solution calorimetry-additive scheme approach. Journal of Physical Chemistry and Functional Materials, Volume: 9 Issue: 1. https://doi.org/10.54565/jphcfum.1906036

📄 Full Text PDF Viewer

📄

PDF görüntüleyici hazırlanıyor...

References (26)

  1. D. Gudeika, O. Bezvikonnyi, D. Volyniuk, and J. V Grazulevicius, “Differently substituted benzonitriles for non-doped OLEDs,” Dyes and Pigments, vol. 172, p. 107789, 2020, doi: https://doi.org/10.1016/j.dyepig.2019.107789.
  2. X. Wang, D. He, Y. Huang, Q. Fan, W. Wu, and H. Jiang, “Copper-Catalyzed Synthesis of Substituted Quinazolines from Benzonitriles and 2-Ethynylanilines via Carbon–Carbon Bond Cleavage Using Molecular Oxygen,” J. Org. Chem., vol. 83, no. 10, pp. 5458–5466, May 2018, doi: 10.1021/acs.joc.8b00378.
  3. W. Xu and N. Yoshikai, “Pivalophenone imine as a benzonitrile surrogate for directed C–H bond functionalization,” Chem. Sci., vol. 8, no. 8, pp. 5299–5304, 2017, doi: 10.1039/C7SC01732D.
  4. M. Medveď, Š. Budzák, and T. Pluta, “Electric properties of the low-lying excited states of benzonitrile: geometry relaxation and solvent effects,” Theoretical Chemistry Accounts 2015 134:6, vol. 134, no. 6, pp. 78-, May 2015, doi: 10.1007/S00214-015-1678-7.
  5. T. L. Tsai, W. C. Chen, C. H. Yu, W. J. Le Noble, and W. S. Chung, “Temperature and Para-Substituent Effects on the Face Selectivity of 1,3-Dipolar Cycloaddition Reactions of Benzonitrile Oxides with 5-Substituted Adamantane-2-thiones, N-Benzyladamantyl-2-imines, and 2-Methyleneadamantanes,” Journal of Organic Chemistry, vol. 64, no. 4, pp. 1099–1107, Feb. 1999, doi: 10.1021/JO980945N.
  6. A. M. Findley, S. Bernstorff, A. M. Köhler, V. Saile, and G. L. Findley, “Photoionization Spectroscopy of Highly Polar Aromatics. Halobenzonitriles,” Phys. Scr., vol. 35, no. 5, p. 633, May 1987, doi: 10.1088/0031-8949/35/5/004.
  7. I. M. Rocha, T. L. P. Galvão, M. D. M. C. Ribeiro Da Silva, and M. A. V. Ribeiro Da Silva, “Energetic study of bromobenzonitrile isomers: insights on the intermolecular interactions, aromaticity and electronegativity,” Structural Chemistry 2013 24:6, vol. 24, no. 6, pp. 1935–1944, May 2013, doi: 10.1007/S11224-013-0278-1.
  8. C. Demetzos, “Differential Scanning Calorimetry (DSC): A Tool to Study the Thermal Behavior of Lipid Bilayers and Liposomal Stability,” J. Liposome Res., vol. 18, no. 3, pp. 159–173, Sep. 2008, doi: 10.1080/08982100802310261.
  9. A. Bisariya, R. Kumar, D. K. Singh, S. K. Shukla, P. K. S. Rathore, and H. M. Ali, “Phase Change Materials for Thermal Energy Storage Systems An Introduction,” Phase Change Materials for Thermal Energy Management and Storage: Fundamentals and Applications, pp. 304–324, Jan. 2024, doi: 10.1201/9781003331957-13/PHASE-CHANGE-MATERIALS-THERMAL-ENERGY-STORAGE-SYSTEMS-ANKIT-BISARIYA-RAJAN-KUMAR-DWESH-KUMAR-SINGH-SHAILENDRA-KUMAR-SHUKLA-PUSHPENDRA-KUMAR-SINGH-RATHORE-HAFIZ-MUHAMMAD-ALI.
  10. H. Liu, X. Wang, and D. Wu, “Innovative design of microencapsulated phase change materials for thermal energy storage and versatile applications: a review,” Sustain. Energy Fuels, vol. 3, no. 5, pp. 1091–1149, Apr. 2019, doi: 10.1039/C9SE00019D.
  11. R. S. Abdullah and B. N. Solomonov, “Sublimation/vaporization and solvation enthalpies of monosubstituted pyridine derivatives,” Chemical Thermodynamics and Thermal Analysis, vol. 8, p. 100087, Dec. 2022, doi: 10.1016/J.CTTA.2022.100087.
  12. R. N. Nagrimanov, A. A. Samatov, and B. N. Solomonov, “Additive scheme of solvation enthalpy for halogenated aliphatic hydrocarbons at 298.15 K.,” Thermochim. Acta, vol. 710, p. 179155, 2022, doi: https://doi.org/10.1016/j.tca.2022.179155.
  13. R. S. Abdullah, “Phase Transition Thermodynamics: Evaporation Enthalpy of 13 Naphthalene Derivatives,” Russian Journal of Physical Chemistry A, vol. 97, no. 7, pp. 1361–1367, 2023, doi: 10.1134/S0036024423070245.
  14. R. Abdullah and B. Solomonov, “Phase Transition Thermodynamic Properties Of 2-Methylquinoline, 2-Chloroquinoline And 2-Phenylquinoline,” International Journal of Thermodynamics, vol. 26, no. 4, pp. 11–18, 2023, doi: 10.5541/ijot.1250292.
  15. Rawand Samad, “Thermochemistry of Semiconductor Molecules: Enthalpies of Dissolution, Solvation, and Evaporation for o-Phenylenediamine and ortho-, meta-, para-Hydroxy Aniline Compounds,” Russian Journal of Physical Chemistry A 2025 99:10, vol. 99, no. 10, pp. 2448–2456, Oct. 2025, doi: 10.1134/S0036024425701948.
  16. D. Hallén, S.-O. Nilsson, W. Rothschild, and I. + Wadsö, “Enthalpies and heat capacities for n-alkan-1-ols in H2O and D2O,” J. Chem. Thermodyn., vol. 18, no. 5, pp. 429–442, 1986, doi: 10.1016/0021-9614(86)90090-X.
  17. R. Sabbah, A. Xu-Wu, J. S. Chickos, M. L. P. Leitão, M. V Roux, and L. A. Torres, “Reference materials for calorimetry and differential thermal analysis,” Thermochim. Acta, vol. 331, no. 2, pp. 93–204, 1999.
  18. B. N. Solomonov, M. I. Yagofarov, and R. N. Nagrimanov, “Additivity of vaporization enthalpy: Group and molecular contributions exemplified by alkylaromatic compounds and their derivatives,” J. Mol. Liq., vol. 342, p. 117472, 2021, doi: https://doi.org/10.1016/j.molliq.2021.117472.
  19. B. N. Solomonov et al., “New method for determination of vaporization and sublimation enthalpy of aromatic compounds at 298.15 K using solution calorimetry technique and group-additivity scheme,” Thermochim. Acta, vol. 622, pp. 88–96, 2015, doi: 10.1016/j.tca.2015.09.022.
  20. B. N. Solomonov and M. I. Yagofarov, “An approach for the calculation of vaporization enthalpies of aromatic and heteroaromatic compounds at 298.15 K applicable to supercooled liquids,” J. Mol. Liq., vol. 319, p. 114330, 2020, doi: https://doi.org/10.1016/j.molliq.2020.114330.
  21. I. M. Rocha, T. L. P. Galvão, M. D. M. C. Ribeiro Da Silva, and M. A. V. Ribeiro Da Silva, “Thermodynamic study of chlorobenzonitrile isomers: A survey on the polymorphism, pseudosymmetry, and the chloro···cyano interaction,” Journal of Physical Chemistry A, vol. 118, no. 8, pp. 1502–1510, 2014, doi: 10.1021/jp410187q.
  22. W. Acree Jr and J. S. Chickos, “Phase transition enthalpy measurements of organic and organometallic compounds. Sublimation, vaporization and fusion enthalpies from 1880 to 2015. Part 1. C1− C10,” J. Phys. Chem. Ref. Data, vol. 45, no. 3, p. 33101, 2016, doi: 10.1063/1.4948363.
  23. M. A. V. Ribeiro Da Silva, M. J. S. Monte, I. M. Rocha, and Á. Cimas, “Energetic study applied to the knowledge of the structural and electronic properties of monofluorobenzonitriles,” Journal of Organic Chemistry, vol. 77, no. 9, pp. 4312–4322, 2012, doi: 10.1021/jo3002968.
  24. I. M. Rocha, T. L. P. Galvão, M. D. M. C. Ribeiro da Silva, and M. A. V Ribeiro da Silva, “Energetic study of bromobenzonitrile isomers: insights on the intermolecular interactions, aromaticity and electronegativity,” Struct. Chem., vol. 24, no. 6, pp. 1935–1944, 2013, doi: 10.1007/s11224-013-0278-1.
  25. M. V. Roux, P. Jiménez, J. Z. Dávalos, M. Temprado, and J. F. Liebman, “Destabilization in the isomeric nitrobenzonitriles: an experimental thermochemical study,” J. Chem. Thermodyn., vol. 35, no. 5, pp. 803–811, 2003, doi: https://doi.org/10.1016/S0021-9614(03)00017-X.
  26. K. V Zaitseva, V. N. Emel’yanenko, F. Agapito, A. A. Pimerzin, M. A. Varfolomeev, and S. P. Verevkin, “Benchmark thermochemistry of methylbenzonitriles: Experimental and theoretical study,” J. Chem. Thermodyn., vol. 91, pp. 186–193, 2015, doi: https://doi.org/10.1016/j.jct.2015.07.025.