Ethane, 1,1'-oxybis[2-methoxy-

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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.

Quantity Value Units Method Reference Comment
Δfgas-521.3kJ/molSemiStewart, 2004 
Δfgas-511.7kJ/molN/AGutner, Lebedeva, et al., 1980Value computed using ΔfHliquid° value of -556.4±0.9 kj/mol from Gutner, Lebedeva, et al., 1980 and ΔvapH° value of 44.7 kj/mol from Mansson, 1969.; DRB
Δfgas-524.7kJ/molN/ABaroody and Carpenter, 1972Value computed using ΔfHliquid° value of -569.4 kj/mol from Baroody and Carpenter, 1972 and ΔvapH° value of 44.7 kj/mol from Mansson, 1969.; DRB

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-556.4 ± 0.9kJ/molCcbGutner, Lebedeva, et al., 1980ALS
Δfliquid-569.4kJ/molCcbBaroody and Carpenter, 1972ALS
Quantity Value Units Method Reference Comment
Δcliquid-3805.5 ± 0.9kJ/molCcbGutner, Lebedeva, et al., 1980Corresponding Δfliquid = -556.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid352.7J/mol*KN/ABeaumont, Clegg, et al., 1966Extrapolation below 90 K, 79.91 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
277.76298.15Trejo, Costas, et al., 1991DH
279.84298.15Villamanan, Casanova, et al., 1982DH
274.1298.15Beaumont, Clegg, et al., 1966T = 90 to 350 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, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil435.2KN/AWeast and Grasselli, 1989BS
Tboil435.15KN/AAnonymous, 1982TRC
Tboil435.KN/AWallace and Mathews, 1964Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Tfus209.15KN/AAnonymous, 1982TRC
Tfus209.1KN/ABeaumont, Clegg, et al., 1966, 2Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Δvap48.0 ± 0.6kJ/molCGCNichols, Orf, et al., 2000AC
Δvap44.7kJ/molN/AMansson, 1969DRB

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
45.4371. to 434.EBLi, Fang, et al., 2009AC
47.4301.AStephenson and Malanowski, 1987Based on data from 286. to 433. K. See also Stull, 1947.; 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
286. to 433.04.872231922.137-38.063Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
17.78209.1Domalski and Hearing, 1996AC
17.795209.1Beaumont, Clegg, et al., 1966DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
85.1209.1Beaumont, Clegg, et al., 1966DH

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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

MeCO2 anion + Ethane, 1,1'-oxybis[2-methoxy- = (MeCO2 anion • Ethane, 1,1'-oxybis[2-methoxy-)

By formula: C2H3O2- + C6H14O3 = (C2H3O2- • C6H14O3)

Quantity Value Units Method Reference Comment
Δr63.2 ± 4.2kJ/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr77.4J/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr40. ± 6.7kJ/molTDAsMeot-Ner and Sieck, 1986gas phase; B

(C6H15O3+ • Ammonia) + Ethane, 1,1'-oxybis[2-methoxy- = (C6H15O3+ • Ethane, 1,1'-oxybis[2-methoxy- • Ammonia)

By formula: (C6H15O3+ • H3N) + C6H14O3 = (C6H15O3+ • C6H14O3 • H3N)

Bond type: Hydrogen bonds between protonated and neutral organics

Quantity Value Units Method Reference Comment
Δr128.kJ/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr213.J/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M

C3H10N+ + Ethane, 1,1'-oxybis[2-methoxy- = (C3H10N+ • Ethane, 1,1'-oxybis[2-methoxy-)

By formula: C3H10N+ + C6H14O3 = (C3H10N+ • C6H14O3)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr137.kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M
Quantity Value Units Method Reference Comment
Δr167.J/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M

C4H5N2+ + Ethane, 1,1'-oxybis[2-methoxy- = (C4H5N2+ • Ethane, 1,1'-oxybis[2-methoxy-)

By formula: C4H5N2+ + C6H14O3 = (C4H5N2+ • C6H14O3)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr136.kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M
Quantity Value Units Method Reference Comment
Δr151.J/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M

C5H5FN+ + Ethane, 1,1'-oxybis[2-methoxy- = (C5H5FN+ • Ethane, 1,1'-oxybis[2-methoxy-)

By formula: C5H5FN+ + C6H14O3 = (C5H5FN+ • C6H14O3)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr145.kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M
Quantity Value Units Method Reference Comment
Δr162.J/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M

C5H6N+ + Ethane, 1,1'-oxybis[2-methoxy- = (C5H6N+ • Ethane, 1,1'-oxybis[2-methoxy-)

By formula: C5H6N+ + C6H14O3 = (C5H6N+ • C6H14O3)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr132.kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M
Quantity Value Units Method Reference Comment
Δr153.J/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M

C6H14N+ + Ethane, 1,1'-oxybis[2-methoxy- = (C6H14N+ • Ethane, 1,1'-oxybis[2-methoxy-)

By formula: C6H14N+ + C6H14O3 = (C6H14N+ • C6H14O3)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr166.kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M
Quantity Value Units Method Reference Comment
Δr187.J/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M

(C6H15O3+ • Ethane, 1,1'-oxybis[2-methoxy-) + Water = (C6H15O3+ • Water • Ethane, 1,1'-oxybis[2-methoxy-)

By formula: (C6H15O3+ • C6H14O3) + H2O = (C6H15O3+ • H2O • C6H14O3)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr86.2kJ/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr145.J/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

C6H15O3+ + Ethane, 1,1'-oxybis[2-methoxy- = (C6H15O3+ • Ethane, 1,1'-oxybis[2-methoxy-)

By formula: C6H15O3+ + C6H14O3 = (C6H15O3+ • C6H14O3)

Bond type: Hydrogen bonds between protonated and neutral organics

Quantity Value Units Method Reference Comment
Δr89.1kJ/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr159.J/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

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 SRD/NIST
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin EPA-IR VAPOR PHASE LIBRARY
State gas

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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

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 Japan AIST/NIMC Database- Spectrum MS-NW- 162
NIST MS number 228683

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, Reaction thermochemistry 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.

Stewart, 2004
Stewart, J.J.P., Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation, J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6 . [all data]

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]

Baroody and Carpenter, 1972
Baroody, E.E.; Carpenter, G.A., Heats of formation of propellant compounds (U), Rpt. Naval Ordnance Systems Command Task No. 331-003/067-1/UR2402-001 for Naval Ordance Station, Indian Head, MD, 1972, 1-9. [all data]

Beaumont, Clegg, et al., 1966
Beaumont, R.H.; Clegg, B.; Gee, G.; Herbert, J.B.M.; Marks, D.J.; Roberts, R.C.; Sims, D., Heat capacities of propylene oxide and of some polymers of ethylene and propylene oxides, Polymer, 1966, 7, 401-416. [all data]

Trejo, Costas, et al., 1991
Trejo, L.M.; Costas, M.; Patterson, D., Excess heat capacity of organic mixtures, Internat. DATA Series, Selected Data Mixt., 1991, Ser. [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]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

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

Wallace and Mathews, 1964
Wallace, W.J.; Mathews, A.L., Density, Refractive Indices, Molar Refractions, and Viscosities of Diethylene Glycol Dimethyl Ether-Water Solutions at 25 C, J. Chem. Eng. Data, 1964, 9, 267-268. [all data]

Beaumont, Clegg, et al., 1966, 2
Beaumont, R.H.; Clegg, B.; Gee, G.; Herbert, J.B.M.; Marks, D.J.; Roberts, R.C.; Sims, D., Heat Capacities of Propylene Oxide and of Some Polymers of Ethylene and Propylene Oxides, Polymer, 1966, 7, 401. [all data]

Nichols, Orf, et al., 2000
Nichols, Gary; Orf, Jennifer; Reiter, Sarah M.; Chickos, James; Gokel, George W., The vaporization enthalpies of some crown and polyethers by correlation gas chromatography, Thermochimica Acta, 2000, 346, 1-2, 15-28, https://doi.org/10.1016/S0040-6031(99)00405-0 . [all data]

Li, Fang, et al., 2009
Li, Dan; Fang, Wenjun; Xie, Wenjie; Xing, Yan; Guo, Yongsheng; Lin, Ruisen, Measurements on Vapor Pressure and Thermal Conductivity for Pseudo-binary Systems of a Hydrocarbon Fuel with Ethylene and Diethylene Glycol Dimethyl Ethers, Energy Fuels, 2009, 23, 2, 794-798, https://doi.org/10.1021/ef8007163 . [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]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Meot-Ner and Sieck, 1986
Meot-Ner, M.; Sieck, L.W., The ionic hydrogen bond and ion solvation. 5. OH...O- bonds. Gas phase solvation and clustering of alkoxide and carboxylate anions, J. Am. Chem. Soc., 1986, 108, 7525. [all data]

Meot-Ner (Mautner), Sieck, et al., 1996
Meot-Ner (Mautner), M.; Sieck, L.W.; Liebman, J.F.; Scheiner, S., Complexing of the Ammonium Ion by Polyethers. Comparative Complexing Thermochemistry of Ammonium, Hydronium, and Alkali Cations, J. Phys. Chem., 1996, 100, 16, 6445, https://doi.org/10.1021/jp9514943 . [all data]

Meot-Ner (Mautner), 1983
Meot-Ner (Mautner), M., The Ionic Hydrogen Bond. 3. Multiple and -CH+...O- Bonds. Complexes of Ammonium Ions with Polyethers and Crown Ethers, J. Am. Chem. Soc., 1983, 105, 15, 4912, https://doi.org/10.1021/ja00353a012 . [all data]

Meot-Ner (Mautner), Sieck, et al., 1994
Meot-Ner (Mautner), M.; Sieck, L.W.; Liebman, J.F.; Scheiner, S.; Duan, X., The Ionic Hydrogen Bond. 5. Polydentate and Solvent-Bridged Structures. Complexing of the Proton and the Hydronium Ions by Polyethers, J. Am. Chem. Soc., 1994, 116, 17, 7848, https://doi.org/10.1021/ja00096a047 . [all data]


Notes

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