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Terephthalic acid

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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
Deltafsolid-195.1 ± 0.36kcal/molCcbKaryakin, Rabinovich, et al., 1978ALS
Deltafsolid-195.07kcal/molCcbSchwabe and Wagner, 1961ALS
Quantity Value Units Method Reference Comment
Deltacsolid-762.26 ± 0.36kcal/molCcbKaryakin, Rabinovich, et al., 1978Corresponding «DELTA»fsolid = -195.1 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-762.30 ± 0.10kcal/molCcbSchwabe and Wagner, 1961Corresponding «DELTA»fsolid = -195.05 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-771.500kcal/molCcbHirsbrunner, 1934Corresponding «DELTA»fsolid = -185.854 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
47.71323.Satoh and Sogabe, 1941T = 0 to 100 C. Mean value.; 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:
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
Deltasub35.0 ± 0.1kcal/molCSabbah and Perez, 1999AC
Deltasub23.450kcal/molVHirsbrunner, 1934ALS

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
33.99 ± 0.36471.MEKozyro, Maksimuk, et al., 2000Based on data from 442. - 500. K.; AC
33.27538.AStephenson and Malanowski, 1987Based on data from 523. - 633. K. See also Kraus, Beranek, et al., 1962.; AC
33.29 ± 0.91568. - 675.DTALucchesi and Lewis, 1968AC
31.3573.GSKraus, Beranek, et al., 1962Based on data from 523. - 633. K.; AC

Gas phase ion energetics 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference
9.9 ± 0.2EIBenoit, 1973

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H5O2+12.6 ± 0.2COOHEIBenoit, 1973 
C8H5O3+12.1 ± 0.2OHEIBenoit, 1973 

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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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-6840
NIST MS number 229551

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UV/Visible spectrum

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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: 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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UVVis spectrum
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Additional Data

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Source Lang (editor), 1968
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 19089
Instrument Unicam SP 700
Melting point 300

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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.

Karyakin, Rabinovich, et al., 1978
Karyakin, N.V.; Rabinovich, I.B.; Sokolov, L.B., Thermodynamics of the synthesis of isomeric poly(phenylenephthalamides), Vysokomol. Soedin. Ser. B, 1978, 20, 662-666. [all data]

Schwabe and Wagner, 1961
Schwabe, K.; Wagner, W., Verbrennungs- und bildungswarmen der drei isomeren phthalsauren, Z. Electrochem., 1961, 65, 812-815. [all data]

Hirsbrunner, 1934
Hirsbrunner, H., Uber das gleichgewicht der thermischen dissoziation der salicylsaure, Helv. Chim. Acta, 1934, 17, 477-504. [all data]

Satoh and Sogabe, 1941
Satoh, S.; Sogabe, T., The heat capacities of some organic compounds containing nitrogen and the atomic heat of nitrogen. (4), Sci., Pap. Inst. Phys. Chem. Res. (Tokyo), 1941, 38, 246-251. [all data]

Sabbah and Perez, 1999
Sabbah, Raphaël; Perez, Laurence, Étude thermodynamique des acides phtalique, isophtalique et téréphtalique, Revue canadienne de chimie, 1999, 77, 9, 1508-1513, https://doi.org/10.1139/cjc-77-9-1508 . [all data]

Kozyro, Maksimuk, et al., 2000
Kozyro, A.A.; Maksimuk, Yu.V.; Kabo, G.Ya., Thermodynamics of vaporization of phthalic acids and additivity of enthalpies and entropies of sublimation of benzocarboxylic acids, Zh. Prikl. Khim. (S.-Peterburg), 2000, 73, 2, 199. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Kraus, Beranek, et al., 1962
Kraus, M.; Beranek, L.; Kochloeff, K.; Bazant, V., Chem. Prum., 1962, 12, 649. [all data]

Lucchesi and Lewis, 1968
Lucchesi, Claude A.; Lewis, W.T., Latent heat of sublimation of terephthalic acid from differential thermal analysis data, J. Chem. Eng. Data, 1968, 13, 3, 389-391, https://doi.org/10.1021/je60038a026 . [all data]

Benoit, 1973
Benoit, F., Substituent effects in mass spectrometry. III. Substituent effects in the dissociation of the molecular ions of para and meta subtituted benzoic acids, Org. Mass Spectrom., 1973, 7, 295. [all data]

Lang (editor), 1968
Lang (editor), L., Absorption Spectra in the Ultraviolet and Visible Region, 1968, 11, 103. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, References