3-Mercaptopropionic acid

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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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid54.71cal/mol*KN/AHuffman and Ellis, 1935Extrapolation below 90 K, 49.71 J/mol*K.

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
48.40299.8Huffman and Ellis, 1935T = 85 to 310 K. Value is unsmoothed experimental datum.

Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
384.20.020Weast and Grasselli, 1989BS
358.70.004Weast and Grasselli, 1989BS

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
4.056291.9Domalski and Hearing, 1996AC
4.0569291.9Huffman and Ellis, 1935DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
13.9291.9Huffman and Ellis, 1935DH

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: 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

C3H5O2S- + Hydrogen cation = 3-Mercaptopropionic acid

By formula: C3H5O2S- + H+ = C3H6O2S

Quantity Value Units Method Reference Comment
Δr339.4 ± 2.2kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase
Quantity Value Units Method Reference Comment
Δr332.4 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase

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 compiled by: John E. Bartmess

De-protonation reactions

C3H5O2S- + Hydrogen cation = 3-Mercaptopropionic acid

By formula: C3H5O2S- + H+ = C3H6O2S

Quantity Value Units Method Reference Comment
Δr339.4 ± 2.2kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase
Quantity Value Units Method Reference Comment
Δr332.4 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase

References

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

Huffman and Ellis, 1935
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]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P., Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria, Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092 . [all data]


Notes

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