6-Methyluracil
- Formula: C5H6N2O2
- Molecular weight: 126.1133
- 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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Condensed phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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 | -563.31 ± 0.060 | kcal/mol | Ccb | Wrede, 1911 | |
ΔcH°solid | -567.4 | kcal/mol | Ccb | Fischer and Wrede, 1904 | Heat of combustion corrected for pressure |
ΔcH°solid | -567.09 | kcal/mol | Ccb | Lemoult, 1904 |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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° | 31.3 | kcal/mol | N/A | Ferro, Bencivenni, et al., 1980 | Based on data from 426. to 503. K. |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C5H5N2O2- + =
By formula: C5H5N2O2- + H+ = C5H6N2O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 352.0 ± 5.0 | kcal/mol | IMRB | Lee, 2005 | gas phase |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1998. |
NIST MS number | 292139 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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, Reaction thermochemistry data, Mass spectrum (electron ionization), 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.