DL-Isoleucine
- Formula: C6H13NO2
- Molecular weight: 131.1729
- IUPAC Standard InChIKey: AGPKZVBTJJNPAG-UHFFFAOYSA-N
- CAS Registry Number: 443-79-8
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: Isoleucine, DL-; DL-allo-isoleucine
- Information on this page:
- Other data available:
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Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -635.2 ± 1.9 | kJ/mol | Ccb | Vasil'ev, Borodin, et al., 1991 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -3583.7 ± 1.9 | kJ/mol | Ccb | Vasil'ev, Borodin, et al., 1991 | |
ΔcH°solid | -3583.7 ± 1.8 | kJ/mol | Ccb | Ponomarev and Migarskaya, 1960 | Reanalyzed by Cox and Pilcher, 1970, Original value = -3584.9 ± 0.2 kJ/mol |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: Na+ + C6H13NO2 = (Na+ • C6H13NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 176. | kJ/mol | CIDC | Kish, Ohanessian, et al., 2003 | Anchor alanine=39.89 |
Ion clustering data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Na+ + C6H13NO2 = (Na+ • C6H13NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 176. | kJ/mol | CIDC | Kish, Ohanessian, et al., 2003 | Anchor alanine=39.89 |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Vasil'ev, Borodin, et al., 1991
Vasil'ev, V.P.; Borodin, V.A.; Kopnyshev, S.B.,
Calculation of the standard enthalpies of combustion and of formation of crystalline organic acids and complexones from the energy contributions of atomic groups,
Russ. J. Phys. Chem. (Engl. Transl.), 1991, 65, 29-32. [all data]
Ponomarev and Migarskaya, 1960
Ponomarev, V.V.; Migarskaya, L.B.,
Heats of combustion of some amino-acids,
Russ. J. Phys. Chem. (Engl. Transl.), 1960, 34, 1182-1183. [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]
Kish, Ohanessian, et al., 2003
Kish, M.M.; Ohanessian, G.; Wesdemiotis, C.,
The Na+ affinities of a-amino acids: side-chain substituent effects,
Int. J. Mass Spectrom., 2003, 227, 3, 509, https://doi.org/10.1016/S1387-3806(03)00082-4
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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