DL-Leucine
- Formula: C6H13NO2
- Molecular weight: 131.1729
- IUPAC Standard InChIKey: ROHFNLRQFUQHCH-UHFFFAOYSA-N
- CAS Registry Number: 328-39-2
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: Leucine, DL-; (.+/-.)-Leucine; (±)-Leucine; (.+-.)-Leucine
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Condensed phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Ion clustering 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 | -153.13 ± 0.21 | kcal/mol | Ccb | Huffman, Fox, et al., 1937 | Author's hf298=-154.25 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -855.23 ± 0.21 | kcal/mol | Ccb | Huffman, Fox, et al., 1937 | Author's hf298=-154.25 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 49.50 | cal/mol*K | N/A | Huffman and Ellis, 1937 | Extrapolation below 90 K, 58.20 J/mol*K.; DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
46.439 | 296.6 | Huffman and Ellis, 1937 | T = 86 to 297 K. Value is unsmoothed experimental datum.; DH |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Ion clustering 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: 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° | 41.8 | kcal/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° | 41.8 | kcal/mol | CIDC | Kish, Ohanessian, et al., 2003 | Anchor alanine=39.89 |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Ion clustering 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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | 221048 |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Ion clustering 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.
Huffman, Fox, et al., 1937
Huffman, H.M.; Fox, S.W.; Ellis, E.L.,
Thermal data. VII. The heats of combustion of seven amino acids,
J. Am. Chem. Soc., 1937, 59, 2144-21. [all data]
Huffman and Ellis, 1937
Huffman, H.M.; Ellis, E.L.,
Thermal data. VIII. The heat capacities, entropies and free energies of some amino acids,
J. Am. Chem. Soc., 1937, 59, 2150-2152. [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, 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 ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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