Benzene, 1-fluoro-3-nitro-

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Condensed phase 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δcliquid-2955.4kJ/molCcbSwarts, 1919Not corrected for CODATA value of ΔfH

Phase change 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 by: Robert L. Brown and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil478.2KN/AAldrich Chemical Company Inc., 1990 
Tboil473. to 474.KN/APCR Inc., 1990 

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference
359.20.025Weast and Grasselli, 1989

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

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-fluoro-3-nitro- = (Bromine anion • Benzene, 1-fluoro-3-nitro-)

By formula: Br- + C6H4FNO2 = (Br- • C6H4FNO2)

Quantity Value Units Method Reference Comment
Δr72.4 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr33. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
33.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Chlorine anion + Benzene, 1-fluoro-3-nitro- = (Chlorine anion • Benzene, 1-fluoro-3-nitro-)

By formula: Cl- + C6H4FNO2 = (Cl- • C6H4FNO2)

Quantity Value Units Method Reference Comment
Δr78.2 ± 4.2kJ/molTDAsChowdhury and Kebarle, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr88.7J/mol*KPHPMSChowdhury and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr51.5 ± 6.7kJ/molTDAsChowdhury and Kebarle, 1986gas phase; B

F6S- + Benzene, 1-fluoro-3-nitro- = (F6S- • Benzene, 1-fluoro-3-nitro-)

By formula: F6S- + C6H4FNO2 = (F6S- • C6H4FNO2)

Quantity Value Units Method Reference Comment
Δr65.7 ± 4.2kJ/molTDAsChowdhury and Kebarle, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr33. ± 6.7kJ/molTDAsChowdhury and Kebarle, 1986gas phase; B

F6S- + Benzene, 1-fluoro-3-nitro- = (F6S- • Benzene, 1-fluoro-3-nitro-)

By formula: F6S- + C6H4FNO2 = (F6S- • C6H4FNO2)

Quantity Value Units Method Reference Comment
Δr65.7kJ/molPHPMSChowdhury and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr109.J/mol*KPHPMSChowdhury and Kebarle, 1986gas phase; M

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.

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

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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

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