Benzoic acid, 4-iodo-
- Formula: C7H5IO2
- Molecular weight: 248.0179
- IUPAC Standard InChIKey: GHICCUXQJBDNRN-UHFFFAOYSA-N
- CAS Registry Number: 619-58-9
- 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, p-iodo-; p-Iodobenzoic acid; 4-Iodobenzoic acid; p-Iodobenzenecarboxylic acid; 4-Jodbenzoesaeure
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Gas phase thermochemistry data
Go To: Top, Phase change 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -51.53 ± 0.31 | kcal/mol | Ccr | Sabbah and Rojas Aguilar, 1996 | |
ΔfH°gas | -54.5 ± 1.4 | kcal/mol | Ccb | Smith, 1956 | Heat of formation derived by Cox and Pilcher, 1970 |
Phase change data
Go To: Top, Gas 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:
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 |
---|---|---|---|---|---|
Ttriple | 543.70 | K | N/A | Tan and Sabbah, 1994 | Uncertainty assigned by TRC = 0.03 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 21.0 ± 1.0 | kcal/mol | V | Smith, 1956 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 26.98 ± 0.60 | kcal/mol | N/A | Monte and Hillesheim, 2000 | AC |
ΔsubH° | 23.7 ± 0.1 | kcal/mol | C | Tan and Sabbah, 1994, 2 | See also Sabbah and Aguilar, 1995 and Tan and Sabbah, 1994, 3.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
26.53 ± 0.1 | 372. | ME | Monte and Hillesheim, 2000 | Based on data from 363. to 379. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.1119 | 544.74 | Sabbah and El Watik, 1992 | DH |
8.423 | 543.8 | Tan and Sabbah, 1994, 3 | AC |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change 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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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 |
References
Go To: Top, Gas phase thermochemistry data, Phase change 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.
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, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Ttriple Triple point temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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