- Formula: C5H5N5
- Molecular weight: 135.1267
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: GFFGJBXGBJISGV-UHFFFAOYSA-N
- CAS Registry Number: 73-24-5
- Chemical structure:
This structure is also available as a 2d Mol file
- Other names: 1H-Purin-6-amine; ADE; Adenin; Adeninimine; Leuco-4; Vitamin B4; 1,6-Dihydro-6-iminopurine; 3,6-Dihydro-6-iminopurine; 6-Amino-1H-purine; 6-Amino-3H-purine; 6-Amino-9H-purine; 6-Aminopurine; 1H-Purine-6-amine; Purine, 6-amino-; USAF CB-18; 1H-Purine, 6-amino-; 6-Amino-7H-purine; 9H-Purine, 1,6-dihydro-6-imino-; 9H-Purin-6-yl-amine; 9H-Purine-6-amine; NSC 14666
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Condensed phase thermochemistry data
Go To: Top, 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
|fH°solid||96.9 ± 1.3||kJ/mol||Ccr||Kirklin and Domalski, 1983||ALS|
|fH°solid||96.02 ± 0.92||kJ/mol||Ccb||Stiehler and Huffman, 1935||Reanalyzed by Cox and Pilcher, 1970, Original value = 91.04 kJ/mol; ALS|
|cH°solid||-2779.0 ± 1.3||kJ/mol||Ccr||Kirklin and Domalski, 1983||ALS|
|cH°solid||-2778.1 ± 0.88||kJ/mol||Ccb||Stiehler and Huffman, 1935||Reanalyzed by Cox and Pilcher, 1970, Original value = -2777.1 ± 0.88 kJ/mol; ALS|
|S°solid,1 bar||151.01||J/mol*K||N/A||Stiehler and Huffman, 1935, 2||Extrapolation below 90 K, 46.69 J/mol*K.; DH|
Constant pressure heat capacity of solid
|Cp,solid (J/mol*K)||Temperature (K)||Reference||Comment|
|143.13||298.1||Stiehler and Huffman, 1935, 2||T = 88 to 298 K. Value is unsmoothed experimental datum.; DH|
Go To: Top, Condensed phase thermochemistry data, Notes
Kirklin and Domalski, 1983
Kirklin, D.R.; Domalski, E.S., Enthalpy of combustion of adenine, J. Chem. Thermodyn., 1983, 15, 941-947. [all data]
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]
Kilday, M.V., Enthalpies of solution of the nucleic acid bases. 1. Adenine in water, J. Res., 1978, NBS 83, 347-369. [all data]
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) cH°solid Enthalpy of combustion of solid at standard conditions fH°solid Enthalpy of formation of solid at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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