6H-Purin-6-one, 1,7-dihydro-

Formula: C₅H₄N₄O
Molecular weight: 136.1115
IUPAC Standard InChI: InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
IUPAC Standard InChIKey: FDGQSTZJBFJUBT-UHFFFAOYSA-N
CAS Registry Number: 68-94-0
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Hypoxanthine; Purin-6(1H)-one; Purin-6(3H)-one; Purin-6-ol; Sarcine; Sarkin; Sarkine; 3H-Purin-6-ol; 6-Hydroxy-1H-purine; 6-Hydroxypurine; 6-Oxopurine; 9H-Purin-6(1H)-one; 9H-Purin-6-ol; 1,7-Dihydro-6H-purine-6-one; 1,7-Dihydro-6H-purin-6-one; HX; 6(1H)-Purinone; Purine-6-ol; 6H-Purin-6-one, 1,9-dihydro-; Hypoxanthine enol; NSC 14665
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Condensed phase thermochemistry data

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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
Δ_fH°_solid	-110.8 ± 0.75	kJ/mol	Ccb	Stiehler and Huffman, 1935	Reanalyzed by Cox and Pilcher, 1970, Original value = -115.6 kJ/mol; ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_solid	-2428.5 ± 0.71	kJ/mol	Ccb	Stiehler and Huffman, 1935	Reanalyzed by Cox and Pilcher, 1970, Original value = -2427.6 ± 0.59 kJ/mol; ALS
Quantity	Value	Units	Method	Reference	Comment
S°_{solid,1 bar}	145.6	J/mol*K	N/A	Stiehler and Huffman, 1935, 2	Extrapolation below 90 K, 45.56 J/mol*K.; DH

Constant pressure heat capacity of solid

C_p,solid (J/mol*K)	Temperature (K)	Reference	Comment
134.52	298.5	Stiehler and Huffman, 1935, 2	T = 85 to 298 K. Value is unsmoothed experimental datum.; DH

References

Go To: Top, Condensed phase thermochemistry data, Notes

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:

C_p,solid	Constant pressure heat capacity of solid
S°_{solid,1 bar}	Entropy of solid at standard conditions (1 bar)
Δ_cH°_solid	Enthalpy of combustion of solid at standard conditions
Δ_fH°_solid	Enthalpy of formation of solid at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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