Creatinine
- Formula: C4H7N3O
- Molecular weight: 113.1179
- IUPAC Standard InChIKey: DDRJAANPRJIHGJ-UHFFFAOYSA-N
- CAS Registry Number: 60-27-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 4H-Imidazol-4-one, 2-imino-1,5-dihydro-1-methyl-; 1-Methylglycocyamidine; 1-Methylhydantoin-2-imide; 2-Imino-1,5-dihydro-1-methyl-4H-imidazol-4-one; 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-; 2-imino-1-methylimidazolidin-4-one
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Condensed phase thermochemistry data
Go To: Top, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -239.93 ± 0.88 | kJ/mol | Ccr | Johnson, 1975 | ALS |
ΔfH°solid | -238.5 ± 0.50 | kJ/mol | Ccb | Huffman, Ellis, et al., 1936 | Reanalyzed by Cox and Pilcher, 1970, Original value = -242.4 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -2334.53 ± 0.86 | kJ/mol | Ccr | Johnson, 1975 | ALS |
ΔcH°solid | -2336.0 ± 0.42 | kJ/mol | Ccb | Huffman, Ellis, et al., 1936 | Reanalyzed by Cox and Pilcher, 1970, Original value = -2335.1 ± 0.67 kJ/mol; ALS |
ΔcH°solid | -2359.8 | kJ/mol | Ccb | Emery and Benedict, 1911 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 167.4 | J/mol*K | N/A | Huffman and Borsook, 1932 | Extrapolation below 90 K, 55.98 J/mol*K.; DH |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
138.1 | 296.5 | Huffman and Borsook, 1932 | T = 87 to 297 K. Value is unsmoothed experimental datum.; DH |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase 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
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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 | Japan AIST/NIMC Database- Spectrum MS-NW- 374 |
NIST MS number | 228889 |
References
Go To: Top, Condensed phase 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.
Johnson, 1975
Johnson, W.H.,
The enthalpies of combustion and formation of nicotinic acid and creatinine,
J. Res. NBS, 1975, 79, 425-429. [all data]
Huffman, Ellis, et al., 1936
Huffman, H.M.; Ellis, E.L.; Fox, S.W.,
Thermal data. VI. The heats of combustion and free energies of seven organic compounds containing nitrogen,
J. Am. Chem. Soc., 1936, 58, 1728-1733. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Emery and Benedict, 1911
Emery, A.G.; Benedict, F.G.,
The heat of combustion of compounds of physiological importance,
Am. J. Physiol., 1911, 28, 301-307. [all data]
Huffman and Borsook, 1932
Huffman, H.M.; Borsook, H.,
Thermal data. I. The heat capacities, entropies and free energies of seven organic compounds containing nitrogen,
J. Am. Chem. Soc., 1932, 54, 4297-4301. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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