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

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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 
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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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