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Methane, 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-413.1kJ/molN/AGutner, Lebedeva, et al., 1980Value computed using «DELTA»fHliquid° value of -448.7±0.4 kj/mol from Gutner, Lebedeva, et al., 1980 and «DELTA»vapH° value of 35.7 kj/mol from Mansson, 1969.; DRB
Deltafgas-414.76 ± 0.86kJ/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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid-448.7 ± 0.4kJ/molCcbGutner, Lebedeva, et al., 1980 
Deltafliquid-450.41 ± 0.84kJ/molCcrMansson, 1969 
Quantity Value Units Method Reference Comment
Deltacliquid-3233.8 ± 0.4kJ/molCcbGutner, Lebedeva, et al., 1980Corresponding «DELTA»fliquid = -448.7 kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-3232.12 ± 0.79kJ/molCcrMansson, 1969Corresponding «DELTA»fliquid = -450.41 kJ/mol (simple calculation by NIST; no Washburn corrections)

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
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil361.2 ± 0.9KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus206.KN/ATimmermans, 1935Uncertainty assigned by TRC = 2. K; TRC
Tfus206.65KN/ATimmermans, 1934Uncertainty assigned by TRC = 0.5 K; TRC
Tfus207.2KN/ATimmermans, 1927Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Deltavap35.74kJ/molN/AMajer and Svoboda, 1985 
Deltavap37. ± 2.kJ/molVLebedeva, Ryadnenko, et al., 1977Heat of combustion is not reported; ALS
Deltavap35.65 ± 0.17kJ/molCMansson, 1969ALS
Deltavap35.7kJ/molN/AMansson, 1969DRB
Deltavap35.7 ± 0.2kJ/molCMansson, 1969AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
31.33361.1N/AMajer and Svoboda, 1985 
36.1288.AStephenson and Malanowski, 1987Based on data from 273. - 361. 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
273. - 348.4.110631270.167-51.891Nicolini and Laffitte, 1949Coefficents 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:


Reaction 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: Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Sodium ion (1+) + Methane, diethoxy- = (Sodium ion (1+) bullet Methane, diethoxy-)

By formula: Na+ + C5H12O2 = (Na+ bullet C5H12O2)

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
115.298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89

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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference
9.70 ± 0.05PIWatanabe, Nakayama, et al., 1962

Ion clustering 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: Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Sodium ion (1+) + Methane, diethoxy- = (Sodium ion (1+) bullet Methane, diethoxy-)

By formula: Na+ + C5H12O2 = (Na+ bullet C5H12O2)

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
115.298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89

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 118816

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, 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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedApiezon L120.635.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.636.Bogoslovsky, Anvaer, et al., 1978Celite 545

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30120.647.Gröbler and Bálizs, 1981 

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone657.74Baraldi, Rapparini, et al., 199960. m/0.25 mm/0.25 «mu»m, 40. C @ 10. min, 5. K/min; Tend: 220. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5649.Zhao, Li, et al., 200830. m/0.25 mm/0.25 «mu»m; Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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]

Timmermans, 1935
Timmermans, J., Researches in Stoichiometry. I. The Heat of Fusion of Organic Compounds., Bull. Soc. Chim. Belg., 1935, 44, 17-40. [all data]

Timmermans, 1934
Timmermans, J., Theory of Concentrated Solutions XII., Bull. Soc. Chim. Belg., 1934, 43, 626. [all data]

Timmermans, 1927
Timmermans, J., The Melting Point of Organic Substances, Bull. Soc. Chim. Belg., 1927, 36, 502. [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]

Lebedeva, Ryadnenko, et al., 1977
Lebedeva, N.D.; Ryadnenko, V.L.; Gutner, N.M.; Nazarova, L.F.; Kiseleva, N.N.; Aizenshtadt, I.N.; Kirilenko, I.V., Possibility of using additive schemes for estimation of the enthalpies of formation of polyfunctional compounds, J. Anal. Chem. USSR (Engl. Transl.), 1977, 50, 726-729. [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]

Nicolini and Laffitte, 1949
Nicolini, E.; Laffitte, P., Tensions de Vapeur de Quelques Liquides Organiques Purs, Compt. Rend., 1949, 229, 757-759. [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Gröbler and Bálizs, 1981
Gröbler, A.; Bálizs, G., Investigations on mixed gas chromatographic stationary phases. Part 3: A generalized approximation of retention indices for polar-nonpoalar stationary phase mixtures, J. Chromatogr. Sci., 1981, 19, 1, 46-51, https://doi.org/10.1093/chromsci/19.1.46 . [all data]

Baraldi, Rapparini, et al., 1999
Baraldi, R.; Rapparini, F.; Rossi, F.; Latella, A.; Ciccioli, P., Volatile organic compound emissions from flowers of the most occurring and economically important species of fruit trees, Phys. Chem. Earth, 1999, 24, 6, 729-732, https://doi.org/10.1016/S1464-1909(99)00073-8 . [all data]

Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G., EXtraction, preparation and identification of volatile compounds in Changyu XO brandy, Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References