Xanthine

• Formula: C₅H₄N₄O₂
• Molecular weight: 152.1109
• IUPAC Standard InChI: InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) Copy

  
• IUPAC Standard InChIKey: LRFVTYWOQMYALW-UHFFFAOYSA-N Copy
• CAS Registry Number: 69-89-6
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 1H-Purine-2,6-dione, 3,7-dihydro-; Isoxanthine; Pseudoxanthine; Purine-2,6(1H,3H)-dione; Xan; Xanthic oxide; Xanthin; 1H-Purine-2,6-diol; 2,6-Dioxo-1,2,3,6-tetrahydropurine; 2,6-Dioxopurine; 9H-Purine-2,6(1H,3H)-dione; 3,7-Dihydro-1H-purine-2,6-dione; 2,6-Dihydroxypurine; Purine-2,6-diol; 9H-Purine-2,6-diol; 2,6(1,3)-Purinedion; USAF CB-17; NSC 14664; purine-2(3H),6(1H)-dione
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• Information on this page:
  • Condensed phase thermochemistry data
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
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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

Constant pressure heat capacity of solid

References

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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]

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]

Notes

Go To: Top, Condensed phase thermochemistry data, 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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