Consistent Thermodynamic Properties for Alicyclic Components of Jet Fuels: Experimental Data, Estimation Methods, and Homologous Series Trends

Published

April 19, 2025

Author(s)

Eugene Paulechka, Andrei Kazakov, Chris Muzny, Suphat Watanasiri, Abhijit Dutta

Abstract

Cycloalkanes and their alkyl derivatives represent a significant fraction of jet fuel components. An evaluation of their thermodynamic properties, enthalpies of formation in liquid and gas phases as well as enthalpies of vaporization, was conducted. A combination of available experimental data, up-to-date group-contribution methods, high-level quantum-chemical calculations, and homologous series trends was used to identify outliers and to recommend the most reliable values. Properly corrected, group-contribution approach was found to work well for the enthalpies of vaporization. The performance of group-contribution methods for the enthalpies of formation was found substantially less effective, especially considering notable differences in these properties among stereoisomers. Computationally affordable high-level ab initio results and homologous series trend analysis appears more reliable. The recommended property values for 146 individual compounds and their isomeric mixtures are provided.

Citation

Fuel

Volume

397

Pub Type

Journals

Download Paper

https://doi.org/10.1016/j.fuel.2025.135222

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Citation

Paulechka, E. , Kazakov, A. , Muzny, C. , Watanasiri, S. and Dutta, A. (2025), Consistent Thermodynamic Properties for Alicyclic Components of Jet Fuels: Experimental Data, Estimation Methods, and Homologous Series Trends, Fuel, [online], https://doi.org/10.1016/j.fuel.2025.135222, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=958850 (Accessed September 26, 2025)