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Benzene, 1,2,3,5-tetrafluoro-

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Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
RCD - Robert C. Dunbar

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Individual Reactions

C6H6+ + Benzene, 1,2,3,5-tetrafluoro- = (C6H6+ bullet Benzene, 1,2,3,5-tetrafluoro-)

By formula: C6H6+ + C6H2F4 = (C6H6+ bullet C6H2F4)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar46.9kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
13.300.PHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated; M

C6HF4- + Hydrogen cation = Benzene, 1,2,3,5-tetrafluoro-

By formula: C6HF4- + H+ = C6H2F4

Quantity Value Units Method Reference Comment
Deltar1521. ± 8.8kJ/molG+TSBuker, Nibbering, et al., 1997gas phase; B
Quantity Value Units Method Reference Comment
Deltar1487. ± 8.4kJ/molIMREBuker, Nibbering, et al., 1997gas phase; B

Chromium ion (1+) + Benzene, 1,2,3,5-tetrafluoro- = (Chromium ion (1+) bullet Benzene, 1,2,3,5-tetrafluoro-)

By formula: Cr+ + C6H2F4 = (Cr+ bullet C6H2F4)

Quantity Value Units Method Reference Comment
Deltar103.kJ/molRAKRyzhov, 1999RCD
Quantity Value Units Method Reference Comment
Deltar5.2091×10+6J/mol*KRAKRyzhov, 1999RCD

References

Go To: Top, Reaction thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Meot-Ner (Mautner), Hamlet, et al., 1978
Meot-Ner (Mautner), M.; Hamlet, P.; Hunter, E.P.; Field, F.H., Bonding Energies in Association Ions of Aromatic Molecules. Correlations with Ionization Energies, J. Am. Chem. Soc., 1978, 100, 17, 5466, https://doi.org/10.1021/ja00485a034 . [all data]

Buker, Nibbering, et al., 1997
Buker, H.H.; Nibbering, N.M.M.; Espinosa, D.; Mongin, F.; Schlosser, M., Additivity of substituent effects in the fluoroarene series: Equilibrium acidity in the gas phase and deprotonation rates in ethereal solution, Tetrahed. Lett., 1997, 38, 49, 8519-8522, https://doi.org/10.1016/S0040-4039(97)10303-3 . [all data]

Ryzhov, 1999
Ryzhov, V., Binding Energies of Chromium Cations with Fluorobenzenes from Radiative Association Kinetics, Int. J. Mass Spectrom., 1999, 185/186/187, 913. [all data]


Notes

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