L-Sorbose
- Formula: C6H12O6
- Molecular weight: 180.1559
- IUPAC Standard InChIKey: BJHIKXHVCXFQLS-PYWDMBMJSA-N
- CAS Registry Number: 87-79-6
- 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. - Stereoisomers:
- Other names: Sorbose, L-; Esorben; L-(-)-Sorbose; l-Xylo-2-hexulose; L-Sorbinose; l-1,3,4,5,6-Pentahydroxyhexan-2-one; Sorbose; Sorbin; Sorbinose; Hex-2-ulose, L-xylo-; NSC 97195
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Condensed phase thermochemistry 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 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 | -305.19 ± 0.24 | kcal/mol | Ccb | Gerasimov, Blokh, et al., 1985 | ALS |
ΔfH°solid | -303.89 ± 0.12 | kcal/mol | Ccb | Clarke and Stegeman, 1939 | Reanalyzed by Cox and Pilcher, 1970, Original value = -303.80 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -669.00 ± 0.24 | kcal/mol | Ccb | Gerasimov, Blokh, et al., 1985 | Corresponding ΔfHºsolid = -305.19 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -670.30 ± 0.09 | kcal/mol | Ccb | Clarke and Stegeman, 1939 | Corresponding ΔfHºsolid = -303.90 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 52.80 | cal/mol*K | N/A | Jack and Stegeman, 1941 | crystaline, I phase; Extrapolation below 90 K, 50.21 J/mol*K.; DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
54.639 | 295.9 | Jack and Stegeman, 1941 | crystaline, I phase; T = 64 to 296 K. Value is unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Condensed phase 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: Eugene S. Domalski and Elizabeth D. Hearing
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference |
---|---|---|---|---|
0.1437 | 199.22 | crystaline, II | crystaline, I | Jack and Stegeman, 1941 |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference |
---|---|---|---|---|
0.722 | 199.22 | crystaline, II | crystaline, I | Jack and Stegeman, 1941 |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, 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: 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-1787 |
NIST MS number | 229607 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change 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.
Gerasimov, Blokh, et al., 1985
Gerasimov, P.A.; Blokh, E.L.; Gubareva, A.I.,
Standard heats of formation of intermediates in the synthesis of vitamin C,
Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1985, 28, 54-56. [all data]
Clarke and Stegeman, 1939
Clarke, T.H.; Stegeman, G.,
Heats of combustion of some mono- and disaccharides,
J. Am. Chem. Soc., 1939, 61, 1726-1730. [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]
Jack and Stegeman, 1941
Jack, G.W.; Stegeman, G.,
The heat capacities and entropies of two monosaccharides,
J. Am. Chem. Soc., 1941, 63, 2121-2123. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change 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) ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition 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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