Diethyl carbonate

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Gas 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-637.9 ± 0.8kJ/molCcrMansson, 1972 
Δfgas-642.4 ± 2.2kJ/molCcbChoi and Joncich, 1971Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -685.05 kJ/mol; Pedley's value is off by 10.19kcal/mol

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
Δfliquid-681.5 ± 0.8kJ/molCcrMansson, 1972ALS
Δfliquid-724.17kJ/molCcbChoi and Joncich, 1971Pedley's value is off by 10.19kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcliquid-2715.17 ± 0.69kJ/molCcrMansson, 1972Corresponding Δfliquid = -681.53 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-2672.5kJ/molCcbChoi and Joncich, 1971Pedley's value is off by 10.19kcal/mol; Corresponding Δfliquid = -724.17 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
210.9294.2Kolosovskii and Udovenko, 1934DH
210.9294.7de Kolossowsky and Udowenko, 1933DH
182.0298.von Reis, 1881T = 297 to 416 K.; DH

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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3O3+11.72C2H4+C2H3EIHolmes and Lossing, 1982 

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.

Mansson, 1972
Mansson, M., Enthalpies of combustion and formation of ethyl propionate and diethyl carbonate, J. Chem. Thermodyn., 1972, 4, 865-871. [all data]

Choi and Joncich, 1971
Choi, J.K.; Joncich, M.J., Heats of combustion, heats of formation and vapor pressures of some organic carbonates. Estimation of carbonate group contribution to heat of formation, J. Chem. Eng. Data, 1971, 16, 87-90. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Kolosovskii and Udovenko, 1934
Kolosovskii, N.A.; Udovenko, W.W., Specific heat of liquids. II., Zhur. Obshchei Khim., 1934, 4, 1027-1033. [all data]

de Kolossowsky and Udowenko, 1933
de Kolossowsky, N.A.; Udowenko, W.W., Mesure des chaleurs specifique moleculaires de quelques liquides, Compt. rend., 1933, 197, 519-520. [all data]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [all data]

Holmes and Lossing, 1982
Holmes, J.L.; Lossing, F.P., Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part II. The effect of substitution at charge-bearing sites, Can. J. Chem., 1982, 60, 2365. [all data]


Notes

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