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m-Nitroaniline

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Gas 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
Deltafgas14.9 ± 0.43kcal/molCcrNishiyama, Sakiyama, et al., 1983 

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-8.17 ± 0.29kcal/molCcrNishiyama, Sakiyama, et al., 1983ALS
Deltafsolid-9.2 ± 0.1kcal/molCcbLebedeva, Gutner, et al., 1971Hfusion=5.7±0.2, see Lebedeva, Rjadnenko, et al., 1969; ALS
Deltafsolid-6.76kcal/molCcbMedard and Thomas, 1957Heat of combustion corrected for pressure; ALS
Deltafsolid-15.17kcal/molCcbRinkenbach, 1930Author hf298_condensed[kcal/mol]=-17.50; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-761.07 ± 0.21kcal/molCcrNishiyama, Sakiyama, et al., 1983ALS
Deltacsolid-760.1 ± 0.1kcal/molCcbLebedeva, Gutner, et al., 1971Hfusion=5.7±0.2, see Lebedeva, Rjadnenko, et al., 1969; ALS
Deltacsolid-762.49kcal/molCcbMedard and Thomas, 1957Heat of combustion corrected for pressure; ALS
Deltacsolid-754.09kcal/molCcbRinkenbach, 1930Author hf298_condensed[kcal/mol]=-17.50; ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
37.964298.15Nishiyama, Sakiyama, et al., 1983Cp given as 1.15 J/g*K.; DH
44.60323.Satoh and Sogabe, 1941T = 0 to 100°C. Mean value.; DH
40.20298.Andrews, Lynn, et al., 1926T = 22 to 210°C.; DH
40.01297.9Andrews, 1926T = 110 to 344 K. Value is unsmoothed experimental datum.; DH

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, 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 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

C6H5N2O2- + Hydrogen cation = m-Nitroaniline

By formula: C6H5N2O2- + H+ = C6H6N2O2

Quantity Value Units Method Reference Comment
Deltar352.3 ± 2.1kcal/molG+TSTaft and Topsom, 1987gas phase
Quantity Value Units Method Reference Comment
Deltar345.0 ± 2.0kcal/molIMRETaft and Topsom, 1987gas phase

References

Go To: Top, Gas phase thermochemistry data, 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.

Nishiyama, Sakiyama, et al., 1983
Nishiyama, K.; Sakiyama, M.; Seki, S., Enthalpies of combustion of organic compounds. V. 3- and 4-nitroanilines, Bull. Chem. Soc. Jpn., 1983, 56, 3171-3172. [all data]

Lebedeva, Gutner, et al., 1971
Lebedeva, N.D.; Gutner, N.M.; Ryadnenko, V.L., Heats of combustion and formation of certain aromatic amino-derivatives, Russ. J. Phys. Chem. (Engl. Transl.), 1971, 45, 561-562. [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]

Medard and Thomas, 1957
Medard, L.; Thomas, M., Chaleur de combustion de onze substances explosives ou apparentees a des explosifs, Mem. Poudres, 1957, 39, 195-208. [all data]

Rinkenbach, 1930
Rinkenbach, W.H., The heats of combustion and formation of aromatic nitro compounds, J. Am. Chem. Soc., 1930, 52, 115-120. [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. (3), Sci., Pap. Inst. Phys. Chem. Res. (Tokyo), 1941, 38, 238-245. [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 and Topsom, 1987
Taft, R.W.; Topsom, R.D., The Nature and Analysis of Substituent Effects, Prog. Phys. Org. Chem., 1987, 16, 1. [all data]


Notes

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