2,4(1H,3H)-Pyrimidinedione, 1,3,5-trimethyl-
- Formula: C7H10N2O2
- Molecular weight: 154.1665
- IUPAC Standard InChIKey: BHWQEVXICGSHEW-UHFFFAOYSA-N
- CAS Registry Number: 4401-71-2
- 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: Uracil, 1,3,5-trimethyl-; 1,3-Dimethylthymine
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Phase change data
Go To: Top, Gas phase ion energetics 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 426.5 | K | N/A | Zielenkiewicz, Zielenkiewicz, et al., 1984 | Uncertainty assigned by TRC = 0.5 K; TRC |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
103.5 ± 1.5 | 326. | ME | Kami nski and Zielenkiewicz, 1996 | Based on data from 321. to 331. K.; AC |
109.2 ± 2.1 | 338. | QR | Teplitsky, Yanson, et al., 1980 | Based on data from 313. to 363. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
16.1 | 428.7 | Kami nski and Zielenkiewicz, 1996 | AC |
Gas phase ion energetics data
Go To: Top, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
8.3 ± 0.1 | EI | Verkin, Sukodub, et al., 1976 |
Mass spectrum (electron ionization)
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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 | Chemical Concepts |
NIST MS number | 149630 |
References
Go To: Top, Phase change data, Gas phase ion energetics 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.
Zielenkiewicz, Zielenkiewicz, et al., 1984
Zielenkiewicz, A.; Zielenkiewicz, W.; Malanowski, S.,
Thermodynamic Excess Functions of Dilute Aqueous Solutions of Alkylated Pyrimidines and Aminopurines and Caffeine,
Thermochim. Acta, 1984, 74, 95. [all data]
Kami nski and Zielenkiewicz, 1996
Kami nski, Miron; Zielenkiewicz, Wojciech,
Vapour pressures and molar enthalpies of sublimation for 5-alkyl derivatives of 1,3-dimethyluracil,
The Journal of Chemical Thermodynamics, 1996, 28, 2, 153-158, https://doi.org/10.1006/jcht.1996.0013
. [all data]
Teplitsky, Yanson, et al., 1980
Teplitsky, A.B.; Yanson, I.K.; Glukhova, O.T.; Zielenkiwicz, A.; Zielenkiewicz, W.; Wierzchowski, K.L.,
Thermochemistry of aqueous solutions of alkylated nucleic acid bases,
Biophysical Chemistry, 1980, 11, 1, 17-21, https://doi.org/10.1016/0301-4622(80)85003-4
. [all data]
Verkin, Sukodub, et al., 1976
Verkin, B.I.; Sukodub, L.F.; Yanson, I.K.,
Ionization potentials of nitrogenous bases of of nucleic acids,
Dokl. Akad. Nauk SSSR, 1976, 228, 1452. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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