Isophthalic acid
- Formula: C8H6O4
- Molecular weight: 166.1308
- IUPAC Standard InChI: InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
- IUPAC Standard InChIKey: QQVIHTHCMHWDBS-UHFFFAOYSA-N
- CAS Registry Number: 121-91-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 1,3-Benzenedicarboxylic acid; m-Benzenedicarboxylic acid; m-Phthalic acid; Benzene,1,3-dicarboxylic acid; Acide isophtalique; Kyselina isoftalova; IPA; m-Dicarboxybenzene; NSC 15310
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Phase change data
Go To: Top, 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: William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 33.9 ± 0.2 | kcal/mol | C | Sabbah and Perez, 1999 |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 32.17 ± 0.38 | 450. | ME | Kozyro, Maksimuk, et al., 2000 | Based on data from 424. to 476. K. |
| 27.29 | 508. | A | Stephenson and Malanowski, 1987 | Based on data from 493. to 563. K. See also Kraus, Beranek, et al., 1962. |
| 25.50 ± 0.53 | 523. | GS | Kraus, Beranek, et al., 1962 | Based on data from 493. to 563. K. See also Cox and Pilcher, 1970. |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Method | Reference |
|---|---|---|---|
| 10.3 | 617.4 | DTA | Sabbah and Perez, 1999 |
Mass spectrum (electron ionization)
Go To: Top, 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
View image of digitized spectrum (can be printed in landscape orientation).
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-8142 |
| NIST MS number | 228175 |
References
Go To: Top, 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 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]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
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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