Cytosine
- Formula: C4H5N3O
- Molecular weight: 111.1020
- IUPAC Standard InChI: InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
- IUPAC Standard InChIKey: OPTASPLRGRRNAP-UHFFFAOYSA-N
- CAS Registry Number: 71-30-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2(1H)-Pyrimidinone, 4-amino-; Cyt; Cytosinimine; 4-Amino-2(1H)-pyrimidinone; 4-Amino-2-hydroxypyrimidine; 4-Amino-2(1H)pyrimidone; 4-Amino-2-oxypyrimidine
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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 | -52.89 ± 0.55 | kcal/mol | Ccb | Wilson, Watson, et al., 1979 | ALS |
| ΔfH°solid | -56.27 ± 0.11 | kcal/mol | Ccr | Sabbah, Nabavian, et al., 1977 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -494.10 ± 0.48 | kcal/mol | Ccb | Wilson, Watson, et al., 1979 | ALS |
| ΔcH°solid | -490.722 ± 0.088 | kcal/mol | Ccr | Sabbah, Nabavian, et al., 1977 | ALS |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 31.69 | 298. | Kilday, 1978 | DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compiled by: Coblentz Society, Inc.
- SOLID (1 mg / 650 mg KBr DISC); PERKIN-ELMER 21 (GRATING); (ADJUSTED subtractcm-1misc); 2 cm-1 resolution
- SOLID (1.2 mg / 380 mg KBr DISC) $$ PURITY - ANALYTICAL; PERKIN-ELMER 180 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 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.
Wilson, Watson, et al., 1979
Wilson, S.R.; Watson, I.D.; Malcolm, G.N.,
Enthalpies of formation of solid cytosine, L-histidine, and uracil,
J. Chem. Thermodyn., 1979, 11, 911-912. [all data]
Sabbah, Nabavian, et al., 1977
Sabbah, R.; Nabavian, M.; Laffitte, M.,
Sur l'enthalpie de formation de la cytosine a 1'etat solide.,
C. R. Acad. Sci. Paris, 1977, 284, 953-954. [all data]
Kilday, 1978
Kilday, M.V.,
Enthalpies of solution of the nucleic acid bases. 3. Cytosine in water,
J. Res., 1978, NBS 83, 539-546. [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 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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