Thermodynamic functions of lactones in the gaseous state

The temperature dependences of the vapor pressures of oxacyclobutan-2-one and oxacyclopentan-2-one were measured by the transpiration method. The entropies of gaseous oxacycloalkan-2-ones (lactones) were determined based on the experimental values of entropy in the condensed state, vapor pressure, a...

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Bibliographic Details
Published inRussian chemical bulletin Vol. 65; no. 1; pp. 82 - 90
Main Authors Turovtsev, V. V., Emel’yanenko, V. N., Orlov, Yu. D.
Format Journal Article
LanguageEnglish
Published New York Springer US 2016
Springer Nature B.V
Subjects
Chemistry
Chemistry and Materials Science
Chemistry/Food Science
Full Articles
Inorganic Chemistry
Organic Chemistry
Temperature dependence
lactone
rigid rotor—anharmonic oscillator
enthalpy of formation
entropy
enthalpy of ring strain
free energy
anharmonic frequencies
heat capacity
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Summary:The temperature dependences of the vapor pressures of oxacyclobutan-2-one and oxacyclopentan-2-one were measured by the transpiration method. The entropies of gaseous oxacycloalkan-2-ones (lactones) were determined based on the experimental values of entropy in the condensed state, vapor pressure, and enthalpy of vaporization. Thermodynamic functions of lactones with a ring size of n = 4—8 (number of atoms in the ring) were determined by quantum chemistry and statistical physics methods in the ideal gas approximation taking into account the molar fractions of all conformers and optical isomers in the temperature range from 298.15 to 1500 K. The enthalpies of ring strain were calculated based on the enthalpies of formation.
ISSN:1066-5285
1573-9171
DOI:10.1007/s11172-016-1268-4