1,2-Benzenedicarboxylic acid
- Formula: C8H6O4
- Molecular weight: 166.1308
- IUPAC Standard InChI: InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
- IUPAC Standard InChIKey: XNGIFLGASWRNHJ-UHFFFAOYSA-N
- CAS Registry Number: 88-99-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Phthalic acid; o-Benzenedicarboxylic acid; o-Dicarboxybenzene; Benzene-1,2-dicarboxylic acid; o-Phthalic acid; Acide phtalique; Kyselina ftalova; Sunftal 20; Orthophthalic acid
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Condensed phase thermochemistry data
Go To: Top, IR 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 |
|---|---|---|---|---|---|
| ΔfH°solid | -782.12 | kJ/mol | Ccb | Schwabe and Wagner, 1961 | ALS |
| ΔfH°solid | -781.91 | kJ/mol | Ccb | Parks, Mosley, et al., 1950 | see Richardson and Parks, 1939; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -3223.5 ± 0.50 | kJ/mol | Ccb | Schwabe and Wagner, 1961 | Corresponding ΔfHºsolid = -782.03 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -3223.7 | kJ/mol | Ccb | Parks, Mosley, et al., 1950 | see Richardson and Parks, 1939; Corresponding ΔfHºsolid = -781.82 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -3229.96 | kJ/mol | Ccb | Verkade, 1926 | Corresponding ΔfHºsolid = -775.61 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 207.94 | J/mol*K | N/A | Parks, Todd, et al., 1936 | Extrapolation below 90 K, 66.19 J/mol*K.; DH |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 201.7 | 323. | Satoh and Sogabe, 1941 | T = 0 to 100 C. Mean value.; DH |
| 201.7 | 323. | Satoh and Sogabe, 1939 | T = 0 to 100 C. Mean value.; DH |
| 188.11 | 298.1 | Parks, Todd, et al., 1936 | T = 90 to 300 K.; DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compiled by: Coblentz Society, Inc.
- Not specified, most likely a prism, grating, or hybrid spectrometer.; (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)
- SOLID (MINERAL OIL MULL); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Schwabe and Wagner, 1961
Schwabe, K.; Wagner, W.,
Verbrennungs- und bildungswarmen der drei isomeren phthalsauren,
Z. Electrochem., 1961, 65, 812-815. [all data]
Parks, Mosley, et al., 1950
Parks, G.S.; Mosley, J.R.; Peterson, P.V., Jr.,
Heats of combustion and formation of some organic compounds containing oxygen,
J. Chem. Phys., 1950, 18, 152. [all data]
Richardson and Parks, 1939
Richardson, J.W.; Parks, G.S.,
Thermal data on organic compounds. XIX. Modern combustion data for some non-volatile compounds containing carbon, hydrogen and oxygen,
J. Am. Chem. Soc., 1939, 61, 3543-3546. [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]
Parks, Todd, et al., 1936
Parks, G.S.; Todd, S.S.; Moore, W.A.,
Thermal data on organic compounds. XVI. Some heat capacity, entropy and free energy data for typical benzene derivatives and heterocyclic compounds,
J. Am. Chem. Soc., 1936, 58, 398-401. [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]
Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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