Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Isophthalic acid

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Condensed phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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 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-191.6 ± 0.36kcal/molCcbKaryakin, Rabinovich, et al., 1978see Karyakin, Rabinovich, et al., 1975 and Karyakin, Kamelova, et al., 1973; ALS
Deltafsolid-191.93kcal/molCcbSchwabe and Wagner, 1961ALS
Quantity Value Units Method Reference Comment
Deltacsolid-765.80 ± 0.36kcal/molCcbKaryakin, Rabinovich, et al., 1978see Karyakin, Rabinovich, et al., 1975 and Karyakin, Kamelova, et al., 1973; Corresponding «DELTA»fsolid = -191.6 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-765.44 ± 0.12kcal/molCcbSchwabe and Wagner, 1961Corresponding «DELTA»fsolid = -191.91 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-769.085kcal/molCcbVerkade, Coops, et al., 1928Corresponding «DELTA»fsolid = -188.27 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-768.492kcal/molCcbVerkade, 1926Corresponding «DELTA»fsolid = -188.86 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
48.21323.Satoh and Sogabe, 1941T = 0 to 100 C. Mean value.; DH
48.21323.Satoh and Sogabe, 1939T = 0 to 100 C. Mean value.; DH

Phase change data

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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: William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Deltasub33.9 ± 0.2kcal/molCSabbah and Perez, 1999 

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
32.17 ± 0.38450.MEKozyro, Maksimuk, et al., 2000Based on data from 424. - 476. K.
27.29508.AStephenson and Malanowski, 1987Based on data from 493. - 563. K. See also Kraus, Beranek, et al., 1962.
25.50 ± 0.53523.GSKraus, Beranek, et al., 1962Based on data from 493. - 563. K. See also Cox and Pilcher, 1970.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference
10.3617.4DTASabbah and Perez, 1999

Gas phase ion energetics data

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference
10. ± 0.2EIBenoit, 1973

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H5O2+12.4 ± 0.2COOHEIBenoit, 1973 
C8H5O3+12.2 ± 0.2OHEIBenoit, 1973 

IR Spectrum

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

Condensed Phase Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

IR spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

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

Additional Data

View scan of original (hardcopy) spectrum.

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

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Owner COBLENTZ SOC.
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin DOW CHEMICAL COMPANY
Source reference COBLENTZ NO. 05713
Date 1968/07/31
State SOLID (SPLIT MULL)
Instrument BECKMAN IR-9 (GRATING)
Instrument parameters ORDER CHANGES: 670, 1200, 2000 CM-1
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY

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


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, UV/Visible 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

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

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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-8142
NIST MS number 228175

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.


UV/Visible spectrum

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

UVVis spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

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

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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. 19101
Instrument Unicam SP 700
Melting point 348.5

References

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

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]

Karyakin, Rabinovich, et al., 1975
Karyakin, N.V.; Rabinovich, I.B.; Kamelova, G.P.; Mochalov, A.N.; Tseitlin, G.M.; Kulagin, V.N.; Korshak, V.V., Thermodynamics of the synthesis of poly-2,2'-(m-phenylene)-5-5'-dibenzoxazolomethane, Polym. Sci. USSR, 1975, 17, 1127-1133. [all data]

Karyakin, Kamelova, et al., 1973
Karyakin, N.V.; Kamelova, G.P.; Yurchenko, V.N.; Kiparisova, e.G.; Korshak, V.V.; Tseitlin, G.M.; Kulagin, V.N.; Rabinovich, I.B., Thermodynamics of the synthesis of poly[2,2'-(m-phenylene)-5,5'-dibenzoxazolemethane] from 3,3'-diamino-4,4'-dihydroxydiphenylmethane and isophthalic acid, Tr. Khim. Khim. Tekhnol., 1973, 71-72. [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]

Verkade, Coops, et al., 1928
Verkade, P.E.; Coops, J., Jr.; Maan, Chr.J., Calorimetrische Untersuchungen. XV. Thermochemische studien uber cycloparaffine und ihre derivate: 1. Experimentelle daten fur funf- und sechsgliedrige cyclische diole, Ann., 1928, 467, 217-239. [all data]

Verkade, 1926
Verkade, P.E., Verbrandingswarmten van plaatsings-isomere benzol-derivaten en de theorie der geinduceerde alterneeren de polatiteit, Verslag Akad. Wetenschappen Amsterdam, 1926, 35, 492-504. [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]

Satoh and Sogabe, 1939
Satoh, S.; Sogabe, T., The specific heats of some solid aromatic acids and their ammonium salts and the atomic heat of nitrogen, Sci. Pap. Inst. Phys. Chem. Res. (Tokyo), 1939, 36, 449-457. [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]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [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, 105. [all data]


Notes

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