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
Δfgas-410.3kJ/molN/AGutner, Lebedeva, et al., 1980Value computed using ΔfHliquid° value of -453.5±0.6 kj/mol from Gutner, Lebedeva, et al., 1980 and ΔvapH° value of 43.2 kj/mol from Mansson, 1969.; DRB
Δfgas-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
Δfliquid-453.5 ± 0.6kJ/molCcbGutner, Lebedeva, et al., 1980ALS
Δfliquid-451.43 ± 0.93kJ/molCcrMansson, 1969ALS
Quantity Value Units Method Reference Comment
Δcliquid-3908.4 ± 0.6kJ/molCcbGutner, Lebedeva, et al., 1980Corresponding Δfliquid = -453.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-3910.43 ± 0.92kJ/molCcrMansson, 1969Corresponding Δfliquid = -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, Chris Muzny 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
Δvap43.27kJ/molN/AMajer and Svoboda, 1985 
Δvap43.20 ± 0.04kJ/molCKusano and Wads, 1970ALS
Δvap43.2 ± 0.1kJ/molCKusano and Wadso, 1970AC
Δvap43.20 ± 0.12kJ/molCMansson, 1969ALS
Δvap43.2kJ/molN/AMansson, 1969DRB

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
36.28392.5N/AMajer and Svoboda, 1985 
37.9254.AStephenson and Malanowski, 1987Based on data from 239. to 393. K.; AC
39.3361.N/ATreszczanowicz and Lu, 1987Based on data from 339. to 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 to 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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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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Due to licensing restrictions, this spectrum cannot be downloaded.

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

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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), 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]


Notes

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