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


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
Deltacliquid-3228.kJ/molCcbSwarts, 1919Not corrected for CODATA value of «DELTA»fH

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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil475.7KN/AAldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
53.8356.AStephenson and Malanowski, 1987Based on data from 341. - 475. K. See also Kardon and Saylor, 1953 and Dykyj, Svoboda, et al., 1999.; AC

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

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

Quantity Value Units Method Reference Comment
Deltar77.4 ± 7.5kJ/molTDAsPaul and Kebarle, 1991gas phase; «DELTA»Gaff at 423 K; B,M
Quantity Value Units Method Reference Comment
Deltar93.3J/mol*KPHPMSPaul and Kebarle, 1991gas phase; M
Quantity Value Units Method Reference Comment
Deltar38. ± 4.2kJ/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
Deltar81.6 ± 4.2kJ/molTDAsChowdhury and Kebarle, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar74.9J/mol*KPHPMSChowdhury and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar59.0 ± 6.7kJ/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
Deltar71.1 ± 4.2kJ/molTDAsChowdhury and Kebarle, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar38. ± 6.7kJ/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
Deltar71.1kJ/molPHPMSChowdhury and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar112.J/mol*KPHPMSChowdhury and Kebarle, 1986gas phase; M

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291446

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References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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]

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

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Kardon and Saylor, 1953
Kardon, Samuel; Saylor, John H., The Vapor Pressures of Some Substituted Benzotrifluorides 1, J. Am. Chem. Soc., 1953, 75, 8, 1997-1997, https://doi.org/10.1021/ja01104a512 . [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [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, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References