m-Chloroaniline

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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
Δfliquid-4.86kcal/molCcbMasalitinova, Oleinikova, et al., 1981ALS
Quantity Value Units Method Reference Comment
Δcliquid-770.04 ± 0.41kcal/molCcbMasalitinova, Oleinikova, et al., 1981ALS
Δcliquid-803.68 ± 0.64kcal/molCcbZalikin, Kochetkov, et al., 1965ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
47.49294.7Zalikin, Kochetkov, et al., 1965T = 295, 323 K.; DH

Reaction thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References, Notes

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

C6H5ClN- + Hydrogen cation = m-Chloroaniline

By formula: C6H5ClN- + H+ = C6H6ClN

Quantity Value Units Method Reference Comment
Δr358.9 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Δr351.6 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

N,N'-Bis(3-chlorophenyl)urea = m-Chloroaniline + Benzene, 1-chloro-3-isocyanato-

By formula: C13H10Cl2N2O = C6H6ClN + C7H4ClNO

Quantity Value Units Method Reference Comment
Δr29.2 ± 1.3kcal/molEqkChimishkyan, Svetlova, et al., 1984solid phase; Dissociation; ALS

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Reaction 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: 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 291534

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References

Go To: Top, Condensed phase thermochemistry 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.

Masalitinova, Oleinikova, et al., 1981
Masalitinova, T.N.; Oleinikova, T.P.; Ryadnenko, V.L.; Kiseleva, N.N.; Lebedeva, N.D., Thermal effects of the hydrogenation of chloronitrobenzenes, J. Appl. Chem. USSR, 1981, 54, 1551-1554, In original 1799. [all data]

Zalikin, Kochetkov, et al., 1965
Zalikin, A.A.; Kochetkov, V.L.; Strepikheev, Yu.A., Some physical and physicochemical constants of m- and p-chloroaniline and of m- and p-chlorophenyl isocyanate, Khim. Prom. (Moscow), 1965, 41, 338. [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Chimishkyan, Svetlova, et al., 1984
Chimishkyan, A.L.; Svetlova, L.P.; Leonova, T.V.; Gluyaev, N.D., Thermal decomposition of substituted ureas, J. Gen. Chem. USSR, 1984, 54, 1317-1320. [all data]


Notes

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