- Formula: C5H6N2O2
- Molecular weight: 126.1133
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: RWQNBRDOKXIBIV-UHFFFAOYSA-N
- CAS Registry Number: 65-71-4
- Chemical structure:
This structure is also available as a 2d Mol file
- Other names: 2,4(1H,3H)-Pyrimidinedione, 5-methyl-; Thymin; 2,4-Dihydroxy-5-methylpyrimidine; 5-Methyluracil; 5-Methyl-2,4-dioxypyrimidine; 5-Methyl-2,4(1H,3H)-pyrimidinedione
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Reaction 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
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C5H7N2O2+ + = (C5H7N2O2+ )
By formula: C5H7N2O2+ + C5H6N2O2 = (C5H7N2O2+ C5H6N2O2)
|rH°||126.||kJ/mol||PHPMS||Meot-Ner (Mautner), 1979||gas phase; M|
|rS°||150.||J/mol*K||PHPMS||Meot-Ner (Mautner), 1979||gas phase; M|
+ = ( )
By formula: Na+ + C5H6N2O2 = (Na+ C5H6N2O2)
|rH°||135. ± 4.||kJ/mol||CIDT||Rodgers and Armentrout, 2000||RCD|
|rH°||144.||kJ/mol||CIDC||Cerda and Wesdemiotis, 1996||RCD|
+ = ( )
By formula: K+ + C5H6N2O2 = (K+ C5H6N2O2)
|rH°||102.||kJ/mol||CIDC||Cerda and Wesdemiotis, 1996||RCD|
Go To: Top, Reaction thermochemistry data, Notes
Meot-Ner (Mautner), 1979
Meot-Ner (Mautner), M., Ion Thermochemistry of Low Volatility Compounds in the Gas Phase. II. Intrinsic Basicities and Hydrogen Bonded Dimers of Nitrogen Heterocyclics and Nucleic Bases, J. Am. Chem. Soc., 1979, 101, 9, 2396, https://doi.org/10.1021/ja00503a027 . [all data]
Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Interactions of Nucleic Acid Bases (Uracil, Thymine, and Adenine) with Alkali Metal Ions. Threshold Collision-Induced Dissociation and Theoretical Studies, J. Am. Chem. Soc., 2000, 121, 35, 8548, https://doi.org/10.1021/ja001638d . [all data]
Cerda and Wesdemiotis, 1996
Cerda, B.A.; Wesdemiotis, C., PAs of Peptides, J. Am. Chem. Soc., 1996, 118, 11884. [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rH° Enthalpy of reaction at standard conditions rS° Entropy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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