Abstract
The work proposes a method to predict changes in the heat capacity of the liquid—vapor phase transition Δ g l Ср 0 (298.2) based on modified Randič indices for alkanes and acyclic oxygen-containing compounds: alcohols, aldehydes, ketones, ethers, and esters. Based on the obtained Δ g l Ср 0 (298.2) values heat capacities in the liquid phase Cp 0liq (298.2) are calculated for the compounds under study.
Article PDF
Similar content being viewed by others
Avoid common mistakes on your manuscript.
References
B. E. Poling, J. M. Prausnitz, and J. P. O′Connell, The Properties of Gases and Liquids, McGrow-Hil (2001).
E. S. Domalski and E. D. Hearing, J. Phys. Chem. Ref. Data, 22, No. 4, 805 (1993).
J. S. Chickos and W. E. Jr. Acree, J. Phys. Chem. Ref. Data, 23, No. 2, 519 (2003).
E. L. Krasnykh, J. Struct. Chem., 49, No. 6, 986–993 (2008).
E. L. Krasnykh and S. V. Portnova, J. Struct. Chem., 53, No. 2, 383–387 (2012).
E. L. Krasnykh, J. Struct. Chem., 54, No. 4, 792–796 (2013).
E. L. Krasnykh and S. V. Portnova, J. Struct. Chem., 57, No. 3, 437–445 (2016).
E. L. Krasnykh, Tonkie Khimicheskie Tekhnologii, 10, No. 1, 13 (2015).
D. W. Scott, Chemical Thermodynamic Properties of Hydrocarbons and Related Substance: properties of the alkane hydrocarbons, C1 through C10, in the ideal gas state from 0 to 1500 K, U. S., Bureau of Mines: Bulletin 666 (1974).
NIST Standard Reference Data. The National Institute of Standards and Technology (NIST), U.S.
D. R. Stull, E. F. Westrum, and G. C. Sinke, The Chemical Thermodynamics of Organic Compounds, J. Wiley, New York (1969).
A. A. Efimova, A. I. Druzhinina, R. M. Varushchenko, O. V. Dorofeeva, and E. L. Krasnyh, J. Chem. Eng. Data, 54, 2457 (2009).
A. I. Druzhinina, O. V. Dorofeeva, R. M. Varushchenko, and E. L. Krasnykh, J. Chem. Thermodyn., 38, 10 (2006).
L. E. Agafonova, R. M. Varushchenko, A. I. Druzhinina, and O. V. Polyakova, J. Chem. Thermodyn., 47, 120 (2012).
L. E. Agafonova, A. I. Druzhinina, R. M. Varushchenko, and O. V. Polyakova, Moscow Univ. Chem. Bul., 65, No. 5, 285 (2010).
J. Pauly, A. C. Kouakou, M. Habrioux, and K. Le Mapihan, Fuel, 137, 21 (2014).
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © 2017 E. L. Krasnykh, S. V. Portnova.
Translated from Zhurnal Strukturnoi Khimii, Vol. 58, No. 4, pp. 739–744, July–August, 2017.
Rights and permissions
About this article
Cite this article
Krasnykh, E.L., Portnova, S.V. Prediction of changes in the heat capacity of the liquid–vapor phase transition based on modified Randič indices. Alkanes and oxygen-containing compounds. J Struct Chem 58, 706–711 (2017). https://doi.org/10.1134/S0022476617040096
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S0022476617040096