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Ethane, 1,2-diethoxy-

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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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-410.3kJ/molN/AGutner, Lebedeva, et al., 1980Value computed using «DELTA»fHliquid° value of -453.5±0.6 kj/mol from Gutner, Lebedeva, et al., 1980 and «DELTA»vapH° value of 43.2 kj/mol from Mansson, 1969.; DRB
Deltafgas-408.23 ± 0.97kJ/molCcrMansson, 1969ALS

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-453.5 ± 0.6kJ/molCcbGutner, Lebedeva, et al., 1980ALS
Deltafliquid-451.43 ± 0.93kJ/molCcrMansson, 1969ALS
Quantity Value Units Method Reference Comment
Deltacliquid-3908.4 ± 0.6kJ/molCcbGutner, Lebedeva, et al., 1980Corresponding «DELTA»fliquid = -453.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3910.43 ± 0.92kJ/molCcrMansson, 1969Corresponding «DELTA»fliquid = -451.44 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
261.08298.15Villamanan, Casanova, et al., 1982DH
259.4298.15Kusano, Suurkuusk, et al., 1973DH

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil394. ± 3.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus199.15KN/AAnonymous, 1982TRC
Quantity Value Units Method Reference Comment
Deltavap43.27kJ/molN/AMajer and Svoboda, 1985 
Deltavap43.20 ± 0.04kJ/molCKusano and Wads, 1970ALS
Deltavap43.2 ± 0.1kJ/molCKusano and Wadso, 1970AC
Deltavap43.20 ± 0.12kJ/molCMansson, 1969ALS
Deltavap43.2kJ/molN/AMansson, 1969DRB

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
36.28392.5N/AMajer and Svoboda, 1985 
37.9254.AStephenson and Malanowski, 1987Based on data from 239. - 393. K.; AC
39.3361.N/ATreszczanowicz and Lu, 1987Based on data from 339. - 382. 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
239.7 - 392.73.671711270.934-45.586Stull, 1947Coefficents calculated by NIST from author's data.

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:


Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference
16. VN/A

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 and Joel F. Liebman

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H7O+10.12C3H7OEIHolmes, Lossing, et al., 1991 

IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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 James Little, Eastman Chem. Company
NIST MS number 245894

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.


Gas Chromatography

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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

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone787.Zenkevich, 1998Program: not specified
CapillaryPolydimethyl siloxanes787.Zenkevich, 1997Program: not specified
CapillaryDB-1771.Kawai, Ishida, et al., 199160. m/0.25 mm/0.25 «mu»m; Program: not specified
CapillaryDB-1773.Kawai, Ishida, et al., 199160. m/0.25 mm/0.25 «mu»m; Program: not specified
PackedApiezon L744.8Keiko, Prokop'ev, et al., 1972Program: not specified
PackedSqualane754.4Keiko, Prokop'ev, et al., 1972Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

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

Gutner, Lebedeva, et al., 1980
Gutner, N.M.; Lebedeva, N.D.; Dobychin, S.L.; Kiseleva, N.N., Thermochemical study of aliphatic ethers, J. Appl. Chem. USSR, 1980, 53, 1523-1525. [all data]

Mansson, 1969
Mansson, M., Non-bonded oxygen-oxygen interactions in straight-chain compounds, J. Chem. Thermodyn., 1969, 1, 141-151. [all data]

Villamanan, Casanova, et al., 1982
Villamanan, M.A.; Casanova, C.; Roux-Desgranges, G.; Grolier, J.-P.E., Thermochemical behavior of mixtures of n-alcohol + aliphatic ether: heat capacities and volumes at 298.15 K, Thermochim. Acta, 1982, 52, 279-283. [all data]

Kusano, Suurkuusk, et al., 1973
Kusano, K.; Suurkuusk, J.; Wads, I., Thermochemistry of solutions of biochemical model compounds. 2. Alkoxyethanols and 1,2-dialkoxyethanes in water, J. Chem. Thermodynam. 5,757-767 (1973).73LEB/TSV Lebedev, B.V., Tsvetkova, L.Ya., and Rabinovich, I.B., Specific heat and thermodynamic functions of poly(vinyltrimethylsilane), Tr. Khim. Khim. Tekhnol., 1973, (1), 17-18. [all data]

Anonymous, 1982
Anonymous, X., Glymes Grant Chemical, 1982, Baton Rouge, LA 1982. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Kusano and Wads, 1970
Kusano, K.; Wads, I., Enthalpies of vaporization of organic compounds, Acta Chem. Scand., 1970, 24, 2037. [all data]

Kusano and Wadso, 1970
Kusano, K.; Wadso, I., Enthalpies of vaporization of organic compounds, Acta Chem. Scand., 1970, 24, 2037-2042. [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]

Treszczanowicz and Lu, 1987
Treszczanowicz, Teresa; Lu, C.-Y., (Vapour + liquid) equilibria of (3,6-dioxaoctane + n-heptane) at 343.15 K, The Journal of Chemical Thermodynamics, 1987, 19, 4, 391-394, https://doi.org/10.1016/0021-9614(87)90124-8 . [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]

Holmes, Lossing, et al., 1991
Holmes, J.L.; Lossing, F.P.; Mayer, P.M., Heats of formation of oxygen-containing organic free radicals from appearance energy measurements, J. Am. Chem. Soc., 1991, 113, 9723. [all data]

Zenkevich, 1998
Zenkevich, I.G., Reciprocally Unambiguous Conformity Between GC Retention Indices and Boiling Points within Two- and Multidimensional Taxonomic Groups of Organic Compounds, J. Hi. Res. Chromatogr., 1998, 21, 10, 565-568, https://doi.org/10.1002/(SICI)1521-4168(19981001)21:10<565::AID-JHRC565>3.0.CO;2-6 . [all data]

Zenkevich, 1997
Zenkevich, I.G., Influence of the Variations of Dynamics Molecular Parameterts on the Additivity of Chromatigraphic Retention Indices of Products of Organic Reactions Relative to Initial Reagents, Dokl. Akad. Nauk (Rus.), 1997, 353, 5, 625-627. [all data]

Kawai, Ishida, et al., 1991
Kawai, T.; Ishida, Y.; Kakiuchi, H.; Ikeda, N.; Higashida, T.; Nakamura, S., Flavor components of dried squid, J. Agric. Food Chem., 1991, 39, 4, 770-777, https://doi.org/10.1021/jf00004a031 . [all data]

Keiko, Prokop'ev, et al., 1972
Keiko, V.V.; Prokop'ev, B.V.; Kuz'menko, L.P.; Kalinina, N.A.; Modonov, V.B., The use of an additive scheme of calculation of the indices of retention in gas-liquid chromatography communication. 3. Some regularities in the manifestation of the inductive effect, Izv. Akad. Nauk Kaz. SSR Ser. Khim., 1972, 12, 2629-2633. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References