Uric acid
- Formula: C5H4N4O3
- Molecular weight: 168.1103
- IUPAC Standard InChIKey: LEHOTFFKMJEONL-UHFFFAOYSA-N
- CAS Registry Number: 69-93-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-; Lithic acid; Purine-2,6,8(1H,3H,9H)-trione; 1H-Purine-2,6,8-triol; 2,6,8-Trioxopurine; 2,6,8-Trioxypurine; 7,9-Dihydro-1H-purine-2,6,8(3H)-trione; 2,6,8-Trihydroxypurine; 8-Hydroxyxanthine; Purine-2,6,8-triol; Purine-3,6,8(1H,3H,9H)-trione; NSC 3975
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Condensed phase thermochemistry data
Go To: Top, 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 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 | -618.81 ± 0.88 | kJ/mol | Ccb | Stiehler and Huffman, 1935 | Reanalyzed by Cox and Pilcher, 1970, Original value = -623.33 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1920.4 ± 0.84 | kJ/mol | Ccb | Stiehler and Huffman, 1935 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1919.8 ± 0.84 kJ/mol; ALS |
ΔcH°solid | -1924.5 | kJ/mol | Ccb | Emery and Benedict, 1911 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 173.2 | J/mol*K | N/A | Stiehler and Huffman, 1935, 2 | Extrapolation below 90 K, 50.25 J/mol*K.; DH |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
166.15 | 297.1 | Stiehler and Huffman, 1935, 2 | T = 85 to 297 K. Value is unsmoothed experimental datum.; DH |
Gas phase ion energetics data
Go To: Top, Condensed 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
8.15 | PE | Dougherty, Younathan, et al., 1978 |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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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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- 226 |
NIST MS number | 228108 |
References
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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.
Stiehler and Huffman, 1935
Stiehler, R.D.; Huffman, H.M.,
Thermal data. IV. The heats of combustion of adenine, hypoxanthine, guanine, xanthine, uric acid, allantoin and alloxan,
J. Am. Chem. Soc., 1935, 57, 1734-1740. [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]
Emery and Benedict, 1911
Emery, A.G.; Benedict, F.G.,
The heat of combustion of compounds of physiological importance,
Am. J. Physiol., 1911, 28, 301-307. [all data]
Stiehler and Huffman, 1935, 2
Stiehler, R.D.; Huffman, H.M.,
Thermal data. V. The heat capacities, entropies and free energies of adenine, hypoxanthine, guanine, xanthine, uric acid, allantoin and alloxan,
J. Am. Chem. Soc., 1935, 57, 1741-1743. [all data]
Dougherty, Younathan, et al., 1978
Dougherty, D.; Younathan, E.S.; Voll, R.; Abdulnur, S.; McGlynn, S.P.,
Photoelectron spectroscopy of some biological molecules,
J. Electron Spectrosc. Relat. Phenom., 1978, 13, 379. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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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