3-Methyluracil
- Formula: C5H6N2O2
- Molecular weight: 126.1133
- IUPAC Standard InChI: InChI=1S/C5H6N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3H,1H3,(H,6,9)
- IUPAC Standard InChIKey: VPLZGVOSFFCKFC-UHFFFAOYSA-N
- CAS Registry Number: 608-34-4
- Chemical structure:
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Phase change data
Go To: Top, 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
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 28.39 ± 0.72 | 382. | TE | Brunetti, Piacente, et al., 2000 | Based on data from 344. to 419. K. |
| 18. ± 2. | 463. | HSA | Nowak, Szczepaniak, et al., 1978 | Based on data from 438. to 498. K. |
Gas phase ion energetics data
Go To: Top, 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° | 363.0 ± 3.0 | kcal/mol | IMRB | Lee, 2005 | gas phase |
References
Go To: Top, 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.
Brunetti, Piacente, et al., 2000
Brunetti, Bruno; Piacente, Vincenzo; Portalone, Gustavo,
Sublimation Enthalpies of Some Methyl Derivatives of Uracil from Vapor Pressure Measurements,
J. Chem. Eng. Data, 2000, 45, 2, 242-246, https://doi.org/10.1021/je9902802
. [all data]
Nowak, Szczepaniak, et al., 1978
Nowak, M.J.; Szczepaniak, K.; Barski, A.; Shugar, D.Z.,
Z. Naturforsch. C, 1978, 33C, 876. [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, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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