Benzoic acid, 4-iodo-

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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-215.6 ± 1.3kJ/molCcrSabbah and Rojas Aguilar, 1996 
Δfgas-228. ± 5.9kJ/molCcbSmith, 1956Heat of formation derived by Cox and Pilcher, 1970

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
Δfliquid-316. ± 4.2kJ/molCcbSmith, 1956Heat of formation derived by Cox and Pilcher, 1970
Quantity Value Units Method Reference Comment
Δfsolid-314.9 ± 1.3kJ/molCcrSabbah and Rojas Aguilar, 1996 
Quantity Value Units Method Reference Comment
Δcsolid-3154.2 ± 1.3kJ/molCcrSabbah and Rojas Aguilar, 1996 
Δcsolid-3153. ± 3.kJ/molCcbSmith, 1956 

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Ttriple543.70KN/ATan and Sabbah, 1994Uncertainty assigned by TRC = 0.03 K; TRC
Quantity Value Units Method Reference Comment
Δvap87.9 ± 4.2kJ/molVSmith, 1956Heat of formation derived by Cox and Pilcher, 1970; ALS
Quantity Value Units Method Reference Comment
Δsub112.9 ± 2.5kJ/molN/AMonte and Hillesheim, 2000AC
Δsub99.3 ± 0.4kJ/molCTan and Sabbah, 1994, 2See also Sabbah and Aguilar, 1995 and Tan and Sabbah, 1994, 3.; AC

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
111.0 ± 0.4372.MEMonte and Hillesheim, 2000Based on data from 363. - 379. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
33.940544.74Sabbah and El Watik, 1992DH
35.24543.8Tan and Sabbah, 1994, 3AC

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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: Coblentz Society, Inc.

Spectrum

A digitized version of this spectrum is not currently available.

Additional Data

View scan of original (hardcopy) spectrum.

Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Source reference COBLENTZ NO. 8572
Date Not specified, most likely prior to 1971
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Data processing (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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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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 Japan AIST/NIMC Database- Spectrum MS-NW-3452
NIST MS number 231387

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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]

Smith, 1956
Smith, L., Corrected heats of combustion of organic iodine compounds, Acta Chem. Scand., 1956, 10, 884-886. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Tan and Sabbah, 1994
Tan, Z.-C.; Sabbah, R., Thermodynamic study of the three isomers of iodobenzoic acid, Thermochim. Acta, 1994, 231, 109-20. [all data]

Monte and Hillesheim, 2000
Monte, Manuel J.S.; Hillesheim, Dorothea M., Thermodynamic study on the sublimation of the three iodobenzoic acids and of 2-fluoro- and 3-fluorobenzoic acids, The Journal of Chemical Thermodynamics, 2000, 32, 12, 1727-1735, https://doi.org/10.1006/jcht.2000.0705 . [all data]

Tan and Sabbah, 1994, 2
Tan, Z.-C.; Sabbah, R., Thermodynamic study of the three isomers of iodobenzoic acid, Chin. Sci. Bull., 1994, 39, 12, 1003. [all data]

Sabbah and Aguilar, 1995
Sabbah, Raphaël; Aguilar, Aaron Rojas, Étude thermodynamique des trois isomères de l'acide chlorobenzoïque. Partie II, Can. J. Chem., 1995, 73, 9, 1538-1545, https://doi.org/10.1139/v95-191 . [all data]

Tan and Sabbah, 1994, 3
Tan, Zhi-Cheng; Sabbah, Raphaël, Thermodynamic study of the three isomers of iodobenzoic acid, Thermochimica Acta, 1994, 231, 109-120, https://doi.org/10.1016/0040-6031(94)80012-X . [all data]

Sabbah and El Watik, 1992
Sabbah, R.; El Watik, L., New reference materials for the calibration (temperature and energy) of differential thermal analysers and scanning calorimeters, J. Therm. Anal., 1992, 38(4), 855-863. [all data]


Notes

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