Benzoic acid, 2-iodo-

• Formula: C₇H₅IO₂
• Molecular weight: 248.0179
• IUPAC Standard InChI: InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) Copy

  
• IUPAC Standard InChIKey: CJNZAXGUTKBIHP-UHFFFAOYSA-N Copy
• CAS Registry Number: 88-67-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Benzoic acid, o-iodo-; o-Iodobenzoic acid; 2-Iodobenzoic acid; USAF ek-572; Kyselina o-jodbenzoova
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
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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

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

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

Enthalpy of sublimation

Enthalpy of fusion

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

Additional Data

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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Additional Data

UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

References

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

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]

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

Holdiness, 1983, 2
Holdiness, Mack R., Measurement of heats of sublimation of some ortho-substituted benzoic acids by differential scanning calorimetry, Thermochimica Acta, 1983, 68, 2-3, 375-377, https://doi.org/10.1016/0040-6031(83)80240-8 . [all data]

Lang (editor), 1975
Lang (editor), L., Absorption Spectra in the Ultraviolet and Visible Region, 1975, 20, 29. [all data]

Notes

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• Symbols used in this document:
  

  Ttriple	Triple point temperature
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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