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Benzoic acid, 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafsolid-98.9 ± 0.1kcal/molCcbLebedeva, Ryadnenko, et al., 1971Hfusion=4.6±0.3, see Lebedeva, Rjadnenko, et al., 1969; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-730.2 ± 0.1kcal/molCcbLebedeva, Ryadnenko, et al., 1971Hfusion=4.6±0.3, see Lebedeva, Rjadnenko, et al., 1969; ALS
Deltacsolid-729.742kcal/molCcbVerkade, 1926ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
48.21323.Satoh and Sogabe, 1941T = 0 to 100 C. Mean value.; DH
41.40298.Andrews, Lynn, et al., 1926T = 22 to 225 C.; DH
43.00297.9Andrews, 1926T = 110 to 344 K. Value is unsmoothed experimental datum.; DH

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 by: John E. Bartmess

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

C7H4NO4- + Hydrogen cation = Benzoic acid, 3-nitro-

By formula: C7H4NO4- + H+ = C7H5NO4

Quantity Value Units Method Reference Comment
Deltar329.0 ± 2.1kcal/molG+TSTaft, 1987gas phase; value altered from reference due to change in acidity scale
Deltar329.1 ± 2.1kcal/molG+TSKebarle and McMahon, 1977gas phase
Quantity Value Units Method Reference Comment
Deltar322.0 ± 2.0kcal/molIMRETaft, 1987gas phase; value altered from reference due to change in acidity scale
Deltar322.1 ± 2.0kcal/molIMREKebarle and McMahon, 1977gas phase

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.

Lebedeva, Ryadnenko, et al., 1971
Lebedeva, N.D.; Ryadnenko, V.L.; Kuznetsova, I.N., Heats of combustion and enthalpies of formation of certain aromatic nitro-derivatives, Russ. J. Phys. Chem. (Engl. Transl.), 1971, 45, 549. [all data]

Lebedeva, Rjadnenko, et al., 1969
Lebedeva, N.D.; Rjadnenko, B.L.; Gutner, N.M., Heats of formation of some N-containing organic compounds, Int. Conf. Calorim. Therm. (Warsaw, Poland), 1969, 1-8. [all data]

Verkade, 1926
Verkade, P.E., Verbrandingswarmten van plaatsings-isomere benzol-derivaten en de theorie der geinduceerde alterneeren de polatiteit, Verslag Akad. Wetenschappen Amsterdam, 1926, 35, 492-504. [all data]

Satoh and Sogabe, 1941
Satoh, S.; Sogabe, T., The heat capacities of some organic compounds containing nitrogen and the atomic heat of nitrogen. (1), Sci., Pap. Inst. Phys. Chem. Res. (Tokyo), 1941, 38, 197-203. [all data]

Andrews, Lynn, et al., 1926
Andrews, D.H.; Lynn, G.; Johnston, J., The heat capacities and heat of crystallization of some isomeric aromatic compounds, J. Am. Chem. Soc., 1926, 48, 1274-1287. [all data]

Andrews, 1926
Andrews, D.H., The specific heats of some isomers of the type ortho, meta and para C6H4XY from 110 to 340K, J. Am. Chem. Soc., 1926, 48, 1287-1298. [all data]

Taft, 1987
Taft, R.W., The Nature and Analysis of Substitutent Electronic Effects, Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [all data]

Kebarle and McMahon, 1977
Kebarle, P.; McMahon, T.B., Intrinsic Acidities of Substituted Phenols and Benzoic Acids Determined by Gas Phase Proton Transfer Equilibria, J. Am. Chem. Soc., 1977, 99, 7, 2222, https://doi.org/10.1021/ja00449a032 . [all data]


Notes

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