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L-Cysteine

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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
Deltafsolid-534.08 ± 0.62kJ/molCcrSabbah and Minadakis, 1981ALS
Deltafsolid-567.4kJ/molCcbBecker and Roth, 1934hf_H2SO4.10,000H2O=-900.752 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-2248.84 ± 0.55kJ/molCcrSabbah and Minadakis, 1981ALS
Deltacsolid-2267.7 ± 2.1kJ/molCcrSunner, 1946Reanalyzed by Cox and Pilcher, 1970, Original value = -2268.9 kJ/mol; ALS
Deltacsolid-2248.9 ± 2.1kJ/molCcbHuffman and Ellis, 1935Reanalyzed by Cox and Pilcher, 1970, Original value = -2223.3 ± 2.1 kJ/mol; ALS
Deltacsolid-2229. ± 3.kJ/molCcbBecker and Roth, 1934hf_H2SO4.10,000H2O=-900.752 kJ/mol; ALS
Quantity Value Units Method Reference Comment
solid,1 bar169.9J/mol*KN/AHuffman and Ellis, 1935, 2Extrapolation below 90 K, 48.99 J/mol*K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
162.3297.6Huffman and Ellis, 1935, 2T = 85 to 298 K. Value is unsmoothed experimental datum.; DH

Reaction thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, 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: John E. Bartmess

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

C3H6NO2S- + Hydrogen cation = L-Cysteine

By formula: C3H6NO2S- + H+ = C3H7NO2S

Quantity Value Units Method Reference Comment
Deltar1395. ± 9.2kJ/molCIDCJones, Bernier, et al., 2007gas phase
Deltar1399. ± 9.6kJ/molG+TSTian, Pawlow, et al., 2007gas phase; Calcn say SH is 3.1 kcal/mol more acidic than CO2H. See DeBlase, Kass, et al., 2014 for spectroscopy saying that it is a cyclic H-bonded species
Quantity Value Units Method Reference Comment
Deltar1370. ± 8.8kJ/molN/ATian, Pawlow, et al., 2007gas phase; Calcn say SH is 3.1 kcal/mol more acidic than CO2H. See DeBlase, Kass, et al., 2014 for spectroscopy saying that it is a cyclic H-bonded species
Deltar1364. ± 13.kJ/molCIDCO'Hair, Bowie, et al., 1992gas phase

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, UV/Visible spectrum, 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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Mass 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-1942
NIST MS number 228086

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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.

Data compiled by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Johnson, 1971
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. 19869
Instrument Unicam SP 500

References

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Sabbah and Minadakis, 1981
Sabbah, R.; Minadakis, C., Thermodynamique de substances soufrees. II. Etude thermochimique de la l-cysteine et de la l-methionine, Thermochim. Acta, 1981, 43, 269-277. [all data]

Becker and Roth, 1934
Becker, G.; Roth, W.A., Zur bestimmung der verbrennungswarme von organischen schwefelverbindunge, Z. Phys. Chem., 1934, 169, 287-296. [all data]

Sunner, 1946
Sunner, S., Determination of combustion heats of organo-sulphur compounds, Svensk. Kim. Tidr., 1946, 58, 71-81. [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]

Huffman and Ellis, 1935
Huffman, H.M.; Ellis, E.L., Thermal Data. II. The heats of combustion of l-cysteine, of l-cystine, «beta»-thiolactic acid and «beta»,«beta»'-dithiodilactic acid, J. Am. Chem. Soc., 1935, 57, 41-46. [all data]

Huffman and Ellis, 1935, 2
Huffman, H.M.; Ellis, E.L., Thermal data. III. The heat capacities, entropies and free energies of four organic compounds containing sulfur, J. Am. Chem. Soc., 1935, 57, 46-48. [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]

Tian, Pawlow, et al., 2007
Tian, Z.X.; Pawlow, A.; Poutsma, J.C.; Kass, S.R., Are carboxyl groups the most acidic sites in amino acids? Gas-phase acidity, H/D exchange experiments, and computations on cysteine and its conjugate base, J. Am. Chem. Soc., 2007, 129, 17, 5403-5407, https://doi.org/10.1021/ja0666194 . [all data]

DeBlase, Kass, et al., 2014
DeBlase, A.F.; Kass, S.R.; Johnson, M.A., On the character of the cyclic ionic H-bond in cryogenically cooled deprotonated cysteine, Phys. Chem. Chem. Phys., 2014, 16, 10, 4569-4575, https://doi.org/10.1039/c3cp54117g . [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]

Johnson, 1971
Johnson, E.A., UV atlas of organic compounds, 1971, 5, J2/3. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, References