Abstract
The thermodynamic properties: Cpo, So, Ho−H0o,−(Go−H0o)/T, ΔHfo, ΔGfo, and log Kf for chloroethane, 1,1-dichloroethane, 1,1,1-trichloroethane, 1,1,1,2-tetrachloroethane, pentachloroethane, and hexachloroethane in the ideal gaseous state in the temperature range from 0 to 1500 K and at 1 atm were evaluated by statistical thermodynamic methods based on a rigid-rotor harmonic-oscillator model. The internal rotation contributions to thermodynamic functions were calculated by using a partition function formed by summation of internal rotation energy levels. The internal rotation barrier heights (in kcal mol-1) employed for generation of the energy levels for each of the above six chloroethanes are: 3.69, 3.54, 5.08, 10.38, 14.43, and 14.7, respectively. The calculated heat capacities and entropies are compared with available experimental data. The derived values of Cpo, So, and ΔHfo at 298.15 and 700 K are compared with those reported in the other major compilations.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
