Ethanethioamide

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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus386.42KN/ADonnelly, Drewes, et al., 1990Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Δsub19.90 ± 0.081kcal/molCInagaki, Murata, et al., 1982ALS
Δsub19.9 ± 0.07kcal/molCInagaki, Murata, et al., 1982See also Murata, Sakiyama, et al., 1985.; AC
Δsub19.79 ± 0.060kcal/molVSabbah and Gomez, 1982ALS
Δsub19.8 ± 0.07kcal/molCSabbah and Gomez, 1982AC

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Reference Comment
19.790298.15Sabbah and Torres-Gomez, 1982DH

Entropy of sublimation

ΔsubS (cal/mol*K) Temperature (K) Reference Comment
66.37298.15Sabbah and Torres-Gomez, 1982DH

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
4.388385.7Donnelly, Drewes, et al., 1990, 2AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
IE (evaluated)8.35 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)211.4kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity203.8kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.36PEMines and Thompson, 1975LLK
8.36PEMines and Thompson, 1975Vertical value; LLK
8.33PEGuimon, Gonbeau, et al., 1974Vertical value; LLK

De-protonation reactions

C2H4NS- + Hydrogen cation = Ethanethioamide

By formula: C2H4NS- + H+ = C2H5NS

Quantity Value Units Method Reference Comment
Δr346.4 ± 2.1kcal/molG+TSDecouzon, Exner, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr339.4 ± 2.0kcal/molIMREDecouzon, Exner, et al., 1994gas phase; B

References

Go To: Top, Phase change 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.

Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W., Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry, Thermochim. Acta, 1990, 167, 2, 155, https://doi.org/10.1016/0040-6031(90)80476-F . [all data]

Inagaki, Murata, et al., 1982
Inagaki, S.; Murata, S.; Sakiyama, M., Thermochemical studies on thioacetamide and tetramethylthiourea. Estimation of stablization energies due to interaction between thiocarbonyl group and neighboring nitrogen atom, Bull. Chem. Soc. Jpn., 1982, 55, 2808-2813. [all data]

Murata, Sakiyama, et al., 1985
Murata, S.; Sakiyama, M.; Seki, S., Sublimation calorimetric studies using a calvet microcalorimeter, Thermochimica Acta, 1985, 88, 1, 121-126, https://doi.org/10.1016/0040-6031(85)85419-8 . [all data]

Sabbah and Gomez, 1982
Sabbah, R.; Gomez, L.A.T., Thermodynamique de substances soufrees. III. Etude thermochimique de la thioacetamide et de la thiobenzamide, Thermochim. Acta, 1982, 52, 285-295. [all data]

Sabbah and Torres-Gomez, 1982
Sabbah, R.; Torres-Gomez, L.A., Thermodynamics of sulfur-containing compounds. III. Thermochemical study of thioacetamide and thiobenzamide, Thermochim. Acta, 1982, 52, 285-295. [all data]

Donnelly, Drewes, et al., 1990, 2
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W., Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry, Thermochimica Acta, 1990, 167, 2, 155-187, https://doi.org/10.1016/0040-6031(90)80476-F . [all data]

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]

Mines and Thompson, 1975
Mines, G.W.; Thompson, H.W., The photoelectron spectra of amides, thioamides, ureas and thioureas, Spectrochim. Acta, 1975, 31, 137. [all data]

Guimon, Gonbeau, et al., 1974
Guimon, C.; Gonbeau, D.; Pfister-Guillouzo, G.; Asbrink, L.; Sandstrom, J., Electronic structure of sulphur compounds. VI. Photoelectron spectra of some simple thiocarbonyl compounds, J. Electron Spectrosc. Relat. Phenom., 1974, 4, 49. [all data]

Decouzon, Exner, et al., 1994
Decouzon, M.; Exner, O.; Gal, J.F.; Maria, P.C.; Waisser, K., Acidity and basicity of thiocarboxamides in the gas phase, J. Phys. Org. Chem., 1994, 7, 9, 511, https://doi.org/10.1002/poc.610070907 . [all data]


Notes

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