Benzoic acid, 2-bromo-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-59.01 ± 0.50kcal/molCcrSabbah and Rojas Aguilar, 1996 
Δfgas-61.52 ± 0.43kcal/molCcrFerrao and Pilcher, 1987 

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
Δfsolid-81.93 ± 0.50kcal/molCcrSabbah and Rojas Aguilar, 1996ALS
Δfsolid-88.03 ± 0.33kcal/molCcrFerrao and Pilcher, 1987ALS
Quantity Value Units Method Reference Comment
Δcsolid-747.20 ± 0.50kcal/molCcrSabbah and Rojas Aguilar, 1996ALS
Δcsolid-741.11 ± 0.24kcal/molCcrFerrao and Pilcher, 1987ALS
Δcsolid-737.3 ± 1.0kcal/molCcbHoldiness, 1983ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
36.76298.15Ferrao and Pilcher, 1987Value given as Cp = 0.765 J K-1 g-1.; DH

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tfus420.9KN/ALamneck, 1954Uncertainty assigned by TRC = 3. K; TRC
Tfus421.7KN/ALamneck, 1954Uncertainty assigned by TRC = 3. K; TRC
Tfus421.9KN/ALamneck, 1954Uncertainty assigned by TRC = 3. K; TRC
Tfus419.9KN/ALamneck, 1954Uncertainty assigned by TRC = 4. K; TRC
Tfus419.2KN/ALamneck, 1954Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Δsub25.9 ± 0.1kcal/molMERibeiro da Silva, Fonseca, et al., 2005Based on data from 328. to 347. K.; AC
Δsub22.9 ± 0.1kcal/molCTan and Raphael, 1994AC
Δsub26.51 ± 0.26kcal/molCFerrao and Pilcher, 1987ALS
Δsub26.51 ± 0.26kcal/molCFerrao and Pilcher, 1987AC

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
25.53 ± 0.1338.MERibeiro da Silva, Fonseca, et al., 2005Based on data from 328. to 347. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
5.935421.6DSCRibeiro da Silva, Fonseca, et al., 2005AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

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, 1992
NIST MS number 125229

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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.

Sabbah and Rojas Aguilar, 1996
Sabbah, R.; Rojas Aguilar, A., Thermodynamic study of the three isomers of bromo and iodobenzoic acids. Part II, Struct. Chem., 1996, 7, 383-390. [all data]

Ferrao and Pilcher, 1987
Ferrao, M.C.C.H.; Pilcher, G., Enthalpies of combustion of the three bromobenzoic acids by rotating-bomb calorimetry, J. Chem. Thermodyn., 1987, 19, 543-548. [all data]

Holdiness, 1983
Holdiness, M.R., Heats of atomization and resonance energy of some ortho-substituted benzoic acids, Thermochim. Acta, 1983, 71, 257-263. [all data]

Lamneck, 1954
Lamneck, J.H., Bromination of the two propylbenzenes and three butylbenzenes, J. Am. Chem. Soc., 1954, 76, 1106. [all data]

Ribeiro da Silva, Fonseca, et al., 2005
Ribeiro da Silva, Manuel A.V.; Fonseca, José M.S.; Carvalho, Rui P.B.M.; Monte, Manuel J.S., Thermodynamic study of the sublimation of six halobenzoic acids, The Journal of Chemical Thermodynamics, 2005, 37, 3, 271-279, https://doi.org/10.1016/j.jct.2004.09.005 . [all data]

Tan and Raphael, 1994
Tan, Z.-C.; Raphael, S., Thermodynamic study of the three isomers of bromobenzoic acid, Sci. China, Ser. B: Chem., Life Sci., Earth Sci., 1994, 37, 6, 641. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References