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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
Deltafgas-637.9 ± 0.8kJ/molCcrMansson, 1972 
Deltafgas-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
Deltafliquid-681.5 ± 0.8kJ/molCcrMansson, 1972ALS
Deltafliquid-724.17kJ/molCcbChoi and Joncich, 1971Pedley's value is off by 10.19kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-2715.17 ± 0.69kJ/molCcrMansson, 1972Corresponding «DELTA»fliquid = -681.53 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-2672.5kJ/molCcbChoi and Joncich, 1971Pedley's value is off by 10.19kcal/mol; Corresponding «DELTA»fliquid = -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

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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil399.6 ± 0.8KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Deltavap50. ± 30.kJ/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
42.3359.EBXing, Fang, et al., 2009Based on data from 344. - 398. K.; AC
39.7367.N/ARodríguez, Canosa, et al., 2002Based on data from 352. - 403. K.; AC
40.9323.AStephenson and Malanowski, 1987Based on data from 308. - 400. K.; AC
39.1308. - 368.MMChoi and Joncich, 1971AC
44.3278.N/AStull, 1947Based on data from 263. - 399. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
263.1 - 399.04.776161721.904-37.959Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
9.24198.2DSCDing, 2004AC

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 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 

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass 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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118691

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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.

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]

Xing, Fang, et al., 2009
Xing, Yan; Fang, Wenjun; Li, Dan; Guo, Yongsheng; Lin, Ruisen, Density, Viscosity, and Vapor Pressure for Binary Mixtures of Tricyclo [5.2.1.0 2.6 ] Decane and Diethyl Carbonate, J. Chem. Eng. Data, 2009, 54, 6, 1865-1870, https://doi.org/10.1021/je800984q . [all data]

Rodríguez, Canosa, et al., 2002
Rodríguez, A.; Canosa, J.; Domínguez, A.; Tojo, J., Isobaric Vapor-Liquid Equilibria of Diethyl Carbonate with Four Alkanes at 101.3 kPa, J. Chem. Eng. Data, 2002, 47, 5, 1098-1102, https://doi.org/10.1021/je010260b . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Ding, 2004
Ding, Michael S., Liquid-Solid Phase Equilibria and Thermodynamic Modeling for Binary Organic Carbonates, J. Chem. Eng. Data, 2004, 49, 2, 276-282, https://doi.org/10.1021/je034134e . [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

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