Arginine
- Formula: C6H14N4O2
- Molecular weight: 174.2010
- IUPAC Standard InChIKey: ODKSFYDXXFIFQN-SCSAIBSYSA-N
- CAS Registry Number: 74-79-3
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: L-Arginine; Arginine, L-; L-(+)-Arginine; Norvaline, 5-[(aminoiminomethyl)amino]-, (L)-; Pentanoic acid, 2-amino-5-[(aminoiminomethyl)amino]-, (S)-; (S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid; L-Norvaline, 5-[(aminoiminomethyl)amino]-; L-Ornithine, N5-(aminoiminomethyl)-; NSC 206269; Norvaline, 5-[(aminoiminomethyl)amino]-; Ornithine, N5-(aminoiminomethyl)-; Pentanoic acid, 2-amino-5-[(aminoiminomethyl)amino]-
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Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 1051.0 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 1006.6 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Proton affinity at 298K
Proton affinity (kJ/mol) | Reference | Comment |
---|---|---|
>988.7 | Bojesen and Breindahl, 1994 | PA increased by 3.5 kcal/mol for referencing values to Hunter and Lias, 1998; MM |
De-protonation reactions
C6H13N4O2- + =
By formula: C6H13N4O2- + H+ = C6H14N4O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1381. ± 9.2 | kJ/mol | CIDC | Jones, Bernier, et al., 2007 | gas phase; B |
ΔrH° | 1388. ± 13. | kJ/mol | G+TS | O'Hair, Bowie, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1352. ± 9.6 | kJ/mol | H-TS | Jones, Bernier, et al., 2007 | gas phase; B |
ΔrG° | 1359. ± 13. | kJ/mol | CIDC | O'Hair, Bowie, et al., 1992 | gas phase; B |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Bojesen and Breindahl, 1994
Bojesen, G.; Breindahl, T.,
On the Proton Affinity od Some Alpha-Amino Acids and the Theory of the Kinetic Method.,
J. Chem. Soc. Perkin 2, 1994, 1029. [all data]
Jones, Bernier, et al., 2007
Jones, C.M.; Bernier, M.; Carson, E.; Colyer, K.E.; Metz, R.; Pawlow, A.; Wischow, E.D.; Webb, I.; Andriole, E.J.; Poutsma, J.C.,
Gas-phase Acities of the 20 Protein Amino Acids,
Int. J. Mass Spectrom., 2007, 267, 1-3, 54-62, https://doi.org/10.1016/j.ijms.2007.02.018
. [all data]
O'Hair, Bowie, et al., 1992
O'Hair, R.J.; Bowie, J.H.; Gronert, S.,
Gas Phase Acidity of the alpha-Amino Acids,
Int. J. Mass Spectrom. Ion Proc., 1992, 117, 23, https://doi.org/10.1016/0168-1176(92)80083-D
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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