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Journal of Thermal Analysis and Calorimetry

, Volume 132, Issue 2, pp 1263–1275 | Cite as

Excess heat capacities and excess molar enthalpies of the mixtures containing tetrahydropyran, piperidine and cyclic alkanones

  • Sunita Malik
  • Heena Gupta
  • Vinod Kumar Sharma
Article
  • 60 Downloads

Abstract

In the present study, molar heat capacities, \(\left( {C_{\text{P}}^{{}} } \right)_{123}\), at T/K = 293.15–308.15 K with 5 K interval and excess molar enthalpies, \(H_{ 1 2 3}^{\text{E}}\), at T/K = 308.15 for ternary tetrahydropyran (1) + piperidine (2) + cyclohexanone or cycloheptanone (3) and molar heat capacities, \((C_{\text{P}}^{{}} )_{12}\), for binary tetrahydropyran (1) + piperidine (2) mixture at T/K = 293.15, 298.15, 303.15 and 308.15 have been determined as a function of composition using microdifferential scanning calorimeter. The \(\left( {C_{\text{P}}^{\text{E}} } \right)_{123}\), \(H_{123}^{\text{E}}\) and \((C_{\text{P}}^{\text{E}} )_{12}\) data have been fitted to Redlich–Kister equation to predict ternary and binary adjustable parameters along with standard deviation in the measured properties. The observed \(\left( {C_{\text{P}}^{\text{E}} } \right)_{123}\), \(H_{123}^{\text{E}}\) data have been tested in terms of graph theory which in turns deals with the topology of the constituent molecules. It has been observed that \(\left( {C_{\text{P}}^{\text{E}} } \right)_{123}\) and \(H_{123}^{\text{E}}\) values estimated by graph theory are comparable with the experimental data.

Keywords

Excess heat capacities Excess molar enthalpies Graph theory 

Notes

Acknowledgements

The authors are thankful to Mr. K. Chandrasekhar Reddy, SSBN College, Anantapur, for providing Gaussian-09 facility, and C-DAC, Pune, India, for providing the computational work. V.K. Sharma is grateful to University Grant Commission (UGC), New Delhi, for the award of SAP.

Supplementary material

10973_2018_7032_MOESM1_ESM.docx (73 kb)
Supplementary material 1 (DOCX 72 kb)

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Copyright information

© Akadémiai Kiadó, Budapest, Hungary 2018

Authors and Affiliations

  • Sunita Malik
    • 1
  • Heena Gupta
    • 1
  • Vinod Kumar Sharma
    • 1
  1. 1.Department of ChemistryM. D. UniversityRohtakIndia

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