DL-Valine
- Formula: C5H11NO2
- Molecular weight: 117.1463
- IUPAC Standard InChIKey: KZSNJWFQEVHDMF-UHFFFAOYSA-N
- CAS Registry Number: 516-06-3
- 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: Valine, DL-; DL-α-Aminoisovaleric acid; DL-Val; Valine; 2-Amino-3-methylbutanoic acid, DL-; NSC 9755
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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 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 | -147.5 ± 0.24 | kcal/mol | Ccb | Ribeiro da Silva, Ribeiro da Silva, et al., 1992 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -695.67 ± 0.45 | kcal/mol | Ccb | Vasil'ev, Borodin, et al., 1991 | ALS |
ΔcH°solid | -701.22 ± 0.1 | kcal/mol | Ccb | Wrede, 1911 | ALS |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
39.4 | 298. | Badelin, Kulikov, et al., 1990 | T = 298, 313, 333, 348 K.; DH |
39.32 | 298. | Kulikov, Kozlov, et al., 1989 | T = 298 to 348 K.; DH |
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 as indicated in comments:
RCD - Robert C. Dunbar
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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+ + C5H11NO2 = (Na+ • C5H11NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.3 ± 3.0 | kcal/mol | IMRE | Gapeev and Dunbar, 2003 | Anchor glycine=38.5+-2.1; RCD |
ΔrH° | 41.3 | kcal/mol | CIDC | Kish, Ohanessian, et al., 2003 | Anchor alanine=39.89; RCD |
By formula: C5H10NO2+ + C5H11NO2 = (C5H10NO2+ • C5H11NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.0 | kcal/mol | PHPMS | Meot-Ner and Field, 1974 | gas phase; M |
By formula: C5H12NO2+ + C5H11NO2 = (C5H12NO2+ • C5H11NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.7 | kcal/mol | PHPMS | Meot-Ner and Field, 1974 | gas phase; M |
IR Spectrum
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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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COBLENTZ SOC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | DOW CHEMICAL COMPANY |
Source reference | COBLENTZ NO. 05783 |
Date | 1963/11/27 |
Name(s) | 2-AMINOISOVALERIC ACID |
State | SOLID (SPLIT MULL) |
Instrument | DOW KBr FOREPRISM-GRATING |
Instrument parameters | BLAZED AT 3.5, 12.0, 20.0 MICRON AND CHANGED AT 5.0, 7.5, 14.9 MICRON |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
Melting point | 315 C |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Saidel and Waldman, 1952 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 11272 |
Instrument | Beckman DU |
Melting point | 298 dec |
Boiling point | sub |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ribeiro da Silva, Ribeiro da Silva, et al., 1992
Ribeiro da Silva, M.A.V.; Ribeiro da Silva, M.D.M.C.; Bernardo, M.M.C.; Santos, L.M.N.B.F.,
Thermochemistry of some metallic amino acid complexes. Part 1. Copper(II) complexes,
Thermochim. Acta, 1992, 205, 99-113. [all data]
Vasil'ev, Borodin, et al., 1991
Vasil'ev, V.P.; Borodin, V.A.; Kopnyshev, S.B.,
Standard enthalpies of formation of some amino acids,
Russ. J. Phys. Chem. (Engl. Transl.), 1991, 65, 1029. [all data]
Wrede, 1911
Wrede, F.,
Uber die Bestimmung von Berbrennungswarmen mittels der kalorimetrischen Bombe unter Benutzung des Platinwiderstandsthermometers,
Z. Phys. Chem. (Leipzig), 1911, 81-94. [all data]
Badelin, Kulikov, et al., 1990
Badelin, V.G.; Kulikov, O.V.; Batagin, V.S.; Udzig, E.; Zielenkiewicz, A.; Zielenkiewicz, W.; Krestov, G.A.,
Physico-chemical properties of peptides and their solutions,
Thermochim. Acta, 1990, 169, 81-93. [all data]
Kulikov, Kozlov, et al., 1989
Kulikov, O.V.; Kozlov, V.A.; Malenkina, L.I.; Badelin, V.G.,
Heat capacities of amino acids and peptides and excess characteristics ot their aqueous solutions, Sbornik Nauch. Trud., Termodin. Rast. neelect., Ivanovo,
Inst. nevod. rast., 1989, Akad. [all data]
Gapeev and Dunbar, 2003
Gapeev, A.; Dunbar, R.C.,
Na+ Affinities of Gas-Phase Amino Acids by Ligand Exchange Equilibrium,
Int. J. Mass Spectrom., 2003, 228, 2-3, 825, https://doi.org/10.1016/S1387-3806(03)00242-2
. [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]
Meot-Ner and Field, 1974
Meot-Ner, (Mautner); Field, F.H.,
Solvation and Association of Protonated Gaseous Amino Acids,
J. Am. Chem. Soc., 1974, 96, 10, 3168, https://doi.org/10.1021/ja00817a024
. [all data]
Saidel and Waldman, 1952
Saidel, L.J.; Waldman, S.,
J. Biol. Chem., 1952, 197, 285. [all data]
Notes
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- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid 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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