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Ethanediamide

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
Deltafgas-387.1 ± 1.3kJ/molCcrNunez, Barral, et al., 1988Author was aware that data differs from previously reported values

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-456.9kJ/molCcbParkhomenko, Pivovarov, et al., 1990Author was aware that data differs from previously reported values; ALS
Deltafsolid-504.4 ± 0.5kJ/molCcrNunez, Barral, et al., 1988Author was aware that data differs from previously reported values; ALS
Deltafsolid-515.6 ± 4.2kJ/molCcbTavernier and Lamouroux, 1957Reanalyzed by Cox and Pilcher, 1970, Original value = -513.289 kJ/mol; Author's hf298_condensed=-123.705 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-902.6kJ/molCcbParkhomenko, Pivovarov, et al., 1990Author was aware that data differs from previously reported values; ALS
Deltacsolid-854.3 ± 0.4kJ/molCcrNunez, Barral, et al., 1988Author was aware that data differs from previously reported values; ALS
Deltacsolid-843.1 ± 4.2kJ/molCcbTavernier and Lamouroux, 1957Reanalyzed by Cox and Pilcher, 1970, Original value = -845.398 kJ/mol; Author's hf298_condensed=-123.705 kcal/mol; ALS
Deltacsolid-853.43kJ/molCcbHandrick, 1956ALS
Quantity Value Units Method Reference Comment
solid,1 bar118.11J/mol*KN/AEgan, Wakefield, et al., 1965DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
113.89298.15Egan, Wakefield, et al., 1965T = 10 to 310 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltasub117.3 ± 1.2kJ/molTE,MENunez, Barral, et al., 1988AC
Deltasub112.97kJ/molVBradley and Cleasby, 1953ALS

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
115.8387.TE,MEDe Wit, Van Miltenburg, et al., 1983Based on data from 370. - 398. K.; AC
113.361.MEBradley and Cleasby, 1953, 2Based on data from 353. - 369. K. See also Jones, 1960 and Cox and Pilcher, 1970, 2.; AC

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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
9.41PEMeeks, Arnett, et al., 1975LLK
9.80PEMeeks and McGlynn, 1975Vertical value; LLK
9.80PEArnett, Newkome, et al., 1974Vertical value; LLK

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

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-1754
NIST MS number 229438

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Nunez, Barral, et al., 1988
Nunez, L.; Barral, L.; Pilcher, G., Enthalpies of combustion of oxamic acid, oxamide, and dithiooxamide, J. Chem. Thermodyn., 1988, 20, 1211-1216. [all data]

Parkhomenko, Pivovarov, et al., 1990
Parkhomenko, V.D.; Pivovarov, A.A.; Sytnik, S.V., Thermophysical properties of oxide, Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1990, 33, 53-55. [all data]

Tavernier and Lamouroux, 1957
Tavernier, P.; Lamouroux, M., Determinations calorimetriques relatives a vingt et une substances organiques, Mem. Poudres, 1957, 39, 335-356. [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]

Handrick, 1956
Handrick, G.R., Report of the study of pure explosive compounds. Part IV. Calculation of heat of combustion of organic compounds from structural features and calculation of power of high explosives, Rpt. C-58247 for the Office of the Chief of Ordnance, contract DA-19-020-ORD-47 by the Arthur D. Little, Inc., Cambridge, MA, 1956, 467-573. [all data]

Egan, Wakefield, et al., 1965
Egan, E.P.; Wakefield, Z.T.; Farr, T.D., Low temperature heat capacity and entropy of oxamide, 10-310 K, J. Chem. Eng. Data, 1965, 10, 138-140. [all data]

Bradley and Cleasby, 1953
Bradley, R.S.; Cleasby, T.G., The vapour pressure and lattice energy of hydrogen-bonded crystals. Part I. Oxamide, oxamic acid, and rubeanie acid, J. Chem. Soc., 1953, 1681-16. [all data]

De Wit, Van Miltenburg, et al., 1983
De Wit, H.G.M.; Van Miltenburg, J.C.; De Kruif, C.G., Thermodynamic properties of molecular organic crystals containing nitrogen, oxygen, and sulphur 1. Vapour pressures and enthalpies of sublimation, The Journal of Chemical Thermodynamics, 1983, 15, 7, 651-663, https://doi.org/10.1016/0021-9614(83)90079-4 . [all data]

Bradley and Cleasby, 1953, 2
Bradley, R.S.; Cleasby, T.G., 349. The vapour pressure and lattice energy of some aromatic ring compounds, J. Chem. Soc., 1953, 1690, https://doi.org/10.1039/jr9530001690 . [all data]

Jones, 1960
Jones, A.H., Sublimation Pressure Data for Organic Compounds., J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019 . [all data]

Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

Meeks, Arnett, et al., 1975
Meeks, J.L.; Arnett, J.F.; Larson, D.B.; McGlynn, S.P., Photoelectron spectroscopy of carbonyls. Urea, oxamide, oxalic acid and oxamic acid, J. Am. Chem. Soc., 1975, 97, 3905. [all data]

Meeks and McGlynn, 1975
Meeks, J.L.; McGlynn, S.P., Photoelectron spectra of carbonyls. Oxamide, parabanic acid, and their N-methyl derivatives, J. Am. Chem. Soc., 1975, 97, 5079. [all data]

Arnett, Newkome, et al., 1974
Arnett, J.F.; Newkome, G.; Mattice, W.L.; McGlynn, S.P., Excited electronic states of the «alpha»-dicarbonyls, J. Am. Chem. Soc., 1974, 96, 4385. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References