Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

NOTICE: Due to scheduled maintenance at our Gaithersburg campus, this site will not be available from 5:00 pm EDT (21:00 UTC) on Friday October 25 until 5:00 pm (21:00 UTC) on Sunday October 27. We apologize for any inconvenience this outage may cause.

Benzene, 1-nitro-3-(trifluoromethyl)-


Condensed phase thermochemistry data

Go To: Top, Reaction thermochemistry data, References, Notes

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

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltacliquid-771.5kcal/molCcbSwarts, 1919Not corrected for CODATA value of «DELTA»fH

Reaction thermochemistry data

Go To: Top, Condensed phase thermochemistry data, References, Notes

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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Bromine anion + Benzene, 1-nitro-3-(trifluoromethyl)- = (Bromine anion bullet Benzene, 1-nitro-3-(trifluoromethyl)-)

By formula: Br- + C7H4F3NO2 = (Br- bullet C7H4F3NO2)

Quantity Value Units Method Reference Comment
Deltar18.5 ± 1.8kcal/molTDAsPaul and Kebarle, 1991gas phase; «DELTA»Gaff at 423 K; B,M
Quantity Value Units Method Reference Comment
Deltar22.3cal/mol*KPHPMSPaul and Kebarle, 1991gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.1 ± 1.0kcal/molTDAsPaul and Kebarle, 1991gas phase; «DELTA»Gaff at 423 K; B

Chlorine anion + Benzene, 1-nitro-3-(trifluoromethyl)- = (Chlorine anion bullet Benzene, 1-nitro-3-(trifluoromethyl)-)

By formula: Cl- + C7H4F3NO2 = (Cl- bullet C7H4F3NO2)

Quantity Value Units Method Reference Comment
Deltar19.5 ± 1.0kcal/molTDAsChowdhury and Kebarle, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar17.9cal/mol*KPHPMSChowdhury and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar14.1 ± 1.6kcal/molTDAsChowdhury and Kebarle, 1986gas phase; B

F6S- + Benzene, 1-nitro-3-(trifluoromethyl)- = (F6S- bullet Benzene, 1-nitro-3-(trifluoromethyl)-)

By formula: F6S- + C7H4F3NO2 = (F6S- bullet C7H4F3NO2)

Quantity Value Units Method Reference Comment
Deltar17.0 ± 1.0kcal/molTDAsChowdhury and Kebarle, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar9.0 ± 1.6kcal/molTDAsChowdhury and Kebarle, 1986gas phase; B

F6S- + Benzene, 1-nitro-3-(trifluoromethyl)- = (F6S- bullet Benzene, 1-nitro-3-(trifluoromethyl)-)

By formula: F6S- + C7H4F3NO2 = (F6S- bullet C7H4F3NO2)

Quantity Value Units Method Reference Comment
Deltar17.0kcal/molPHPMSChowdhury and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.7cal/mol*KPHPMSChowdhury and Kebarle, 1986gas phase; M

References

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

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

Swarts, 1919
Swarts, F., Etudes thermochimiques sur les combinaisons organiques fluorees, J. Chim. Phys., 1919, 17, 3-70. [all data]

Paul and Kebarle, 1991
Paul, G.J.C.; Kebarle, P., Stabilities of Complexes of Br- with Substituted Benzenes (SB) Based on Determinations of the Gas-Phase Equilibria Br- + SB = (BrSB)-, J. Am. Chem. Soc., 1991, 113, 4, 1148, https://doi.org/10.1021/ja00004a014 . [all data]

Chowdhury and Kebarle, 1986
Chowdhury, S.; Kebarle, P., Role of Binding Energies in A-.B and A.B- Complexes in the Kinetics of Gas Phase Electron Transfer Reactions:A- + B = A + B- Involving Perfluoro Compounds: SF6, C6F11CF3, J. Chem. Phys., 1986, 85, 9, 4989, https://doi.org/10.1063/1.451687 . [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References