Thioacetic acid

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Condensed phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid-52.42 ± 0.35kcal/molCcrSunner, 1963Correction of Sunner, 1955
Δfliquid-51.74 ± 0.14kcal/molCmSunner and Wadso, 1957Reanalyzed by Cox and Pilcher, 1970, Original value = -51.5 ± 0.4 kcal/mol; Heat of hydrolysis
Quantity Value Units Method Reference Comment
Δcliquid-416.22kcal/molCcrSunner, 1963Correction of Sunner, 1955

Phase change data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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: William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Reference Comment
8.41333.Dykyj, Svoboda, et al., 1999Based on data from 307. to 360. K.

Reaction thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Diacetyl sulphide = Ketene + Thioacetic acid

By formula: C4H6O2S = C2H2O + C2H4OS

Quantity Value Units Method Reference Comment
Δr22.6kcal/molEqkBlake and Speis, 1974gas phase; Heat of formation derived by 77PED/RYL

Thioacetic acid + Water = Acetic acid + Hydrogen sulfide

By formula: C2H4OS + H2O = C2H4O2 + H2S

Quantity Value Units Method Reference Comment
Δr-0.64 ± 0.07kcal/molCmSunner and Wadso, 1957liquid phase; Heat of hydrolysis

Thioacetic acid + Acetone = Ethanethioic acid, S-(1-hydroxy-1-methylethyl) ester

By formula: C2H4OS + C3H6O = C5H10O2S

Quantity Value Units Method Reference Comment
Δr-6.5 ± 0.2kcal/molEqkHorii, Kawamura, et al., 1972liquid phase; solvent: CD3COCD3; NMR

Ketene + Thioacetic acid = Diacetyl sulphide

By formula: C2H2O + C2H4OS = C4H6O2S

Quantity Value Units Method Reference Comment
Δr-22.6kcal/molEqkBlake and Speis, 1974gas phase

Gas phase ion energetics data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C2H4OS+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
10.06PENagata, Yamabe, et al., 1975Vertical value; LLK

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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.

Sunner, 1963
Sunner, S., Corrected heat of combustion and formation values for a number of organic sulphur compounds, Acta Chem. Scand., 1963, 17, 728-730. [all data]

Sunner, 1955
Sunner, S., Thermochemical investigations on organic sulfur compounds. V. On the resonance energy of thiolacetic acid, thiourea, thiosemicarbzaide, thiophene and thianthrene, Acta Chem. Scand., 1955, 9, 847-854. [all data]

Sunner and Wadso, 1957
Sunner, S.; Wadso, I., The heat of hydrolysis of thiolacetic acid, Trans. Faraday Soc., 1957, 53, 455-459. [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]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

Blake and Speis, 1974
Blake, P.G.; Speis, A., Reactions of keten. Part IV. Kinetics and thermodynamics of the gas-phase reaction: Thioacetic acid + keten = acetic Thioanhydride, J. Chem. Soc. Perkin Trans. 2, 1974, 1879-1881. [all data]

Horii, Kawamura, et al., 1972
Horii, T.; Kawamura, S.; Tsurugi, J., A NMR study of the thioacetic acid-acetone mixture, Bull. Chem. Soc. Jpn., 1972, 45, 2200-2202. [all data]

Nagata, Yamabe, et al., 1975
Nagata, S.; Yamabe, T.; Fukui, K., A study of the electronic spectra of thioacetic acid and its ethyl ester, J. Phys. Chem., 1975, 79, 2335. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, References