6-Methyluracil
- Formula: C5H6N2O2
- Molecular weight: 126.1133
- IUPAC Standard InChI: InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
- IUPAC Standard InChIKey: SHVCSCWHWMSGTE-UHFFFAOYSA-N
- CAS Registry Number: 626-48-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 2,4(1H,3H)-Pyrimidinedione, 6-methyl-; 2(1H)-Pyrimidinone, 4-hydroxy-6-methyl-; Pseudothymine; Uracil, 6-methyl-; 2,4-Dihydroxy-6-methylpyrimidine; 2,4-Pyrimidinediol, 6-methyl-; AWD 23-15; 6-Methyl-1H-pyrimidine-2,4-dione; 4-(6)-Methyluracil; 4-Methyluracil; NSC 9456
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Condensed phase thermochemistry data
Go To: Top, Phase change 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°solid | -2356.9 ± 0.25 | kJ/mol | Ccb | Wrede, 1911 | |
| ΔcH°solid | -2374. | kJ/mol | Ccb | Fischer and Wrede, 1904 | Heat of combustion corrected for pressure |
| ΔcH°solid | -2372.7 | kJ/mol | Ccb | Lemoult, 1904 |
Phase change data
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: William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 131. | kJ/mol | N/A | Ferro, Bencivenni, et al., 1980 | Based on data from 426. to 503. K. |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Phase change 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: John E. Bartmess
De-protonation reactions
C5H5N2O2- + =
By formula: C5H5N2O2- + H+ = C5H6N2O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1473. ± 21. | kJ/mol | IMRB | Lee, 2005 | gas phase |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wrede, 1911
Wrede, F.,
Uber die Bestimmung von Berbrennungswarmen mittels der kalorimetrischen Bombe unter Benutzung des Platinwiderstandsthermometers,
Z. Phys. Chem. (Leipzig), 1911, 81-94. [all data]
Fischer and Wrede, 1904
Fischer, E.; Wrede, F.,
Uber die Verbrennungswarme einiger organischer Verbindungen,
Sitzungsber. Dtsch. Akad. Wiss. Berlin Kl. Math. Phys. Tech., 1904, 687-715. [all data]
Lemoult, 1904
Lemoult, M.P.,
Remarques sur une serie recenie de determinations calorimetriques,
Compt. Rend., 1904, 663-635. [all data]
Ferro, Bencivenni, et al., 1980
Ferro, D.; Bencivenni, L.; Teghil, R.; Pelino, M.,
J. Indian Chem. Soc., 1980, 57, 629. [all data]
Lee, 2005
Lee, J.K.,
Insights into nucleic acid reactivity through gas-phase experimental and computational studies,
Int. J. Mass Spectrom., 2005, 240, 3, 261-272, https://doi.org/10.1016/j.ijms.2004.09.020
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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