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Benzonitrile, 3,5-dinitro-


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

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Individual Reactions

Bromine anion + Benzonitrile, 3,5-dinitro- = (Bromine anion bullet Benzonitrile, 3,5-dinitro-)

By formula: Br- + C7H3N3O4 = (Br- bullet C7H3N3O4)

Quantity Value Units Method Reference Comment
Deltar90.4 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
Deltar92.J/mol*KN/APaul and Kebarle, 1991gas phase; 3,5-dinitrobenzonitrile, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar51.0 ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
51.0423.PHPMSPaul and Kebarle, 1991gas phase; 3,5-dinitrobenzonitrile, Entropy change calculated or estimated; M

Nitrogen oxide anion + Benzonitrile, 3,5-dinitro- = (Nitrogen oxide anion bullet Benzonitrile, 3,5-dinitro-)

By formula: NO2- + C7H3N3O4 = (NO2- bullet C7H3N3O4)

Quantity Value Units Method Reference Comment
Deltar98.3 ± 8.4kJ/molTDAsGrimsrud, Chowdhury, et al., 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar99.2J/mol*KPHPMSGrimsrud, Chowdhury, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar68.6 ± 8.4kJ/molTDAsGrimsrud, Chowdhury, et al., 1986gas phase; B

References

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

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]

Grimsrud, Chowdhury, et al., 1986
Grimsrud, E.P.; Chowdhury, S.; Kebarle, P., Gas Phase Reactions of NO2- with Nitrobenzenes and Quinones. Electron Transfer, Clusters, and Formation of Phenoxide and Quinoxide Negative Ions. Use of NO2 as a NICI Reagent Gas., Int. J. Mass Spectrom. Ion Proc., 1986, 68, 1-2, 57, https://doi.org/10.1016/0168-1176(86)87068-9 . [all data]


Notes

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