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

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Gas phase thermochemistry data

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

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
Deltafgas-124.6kcal/molSemiStewart, 2004 
Deltafgas-122.3kcal/molN/AGutner, Lebedeva, et al., 1980Value computed using «DELTA»fHliquid° value of -556.4±0.9 kj/mol from Gutner, Lebedeva, et al., 1980 and «DELTA»vapH° value of 44.7 kj/mol from Mansson, 1969.; DRB
Deltafgas-125.4kcal/molN/ABaroody and Carpenter, 1972Value computed using «DELTA»fHliquid° value of -569.4 kj/mol from Baroody and Carpenter, 1972 and «DELTA»vapH° 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
Deltafliquid-133.0 ± 0.2kcal/molCcbGutner, Lebedeva, et al., 1980ALS
Deltafliquid-136.1kcal/molCcbBaroody and Carpenter, 1972ALS
Quantity Value Units Method Reference Comment
Deltacliquid-909.5 ± 0.2kcal/molCcbGutner, Lebedeva, et al., 1980Corresponding «DELTA»fliquid = -133.0 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid84.30cal/mol*KN/ABeaumont, Clegg, et al., 1966Extrapolation below 90 K, 79.91 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
66.386298.15Trejo, Costas, et al., 1991DH
66.883298.15Villamanan, Casanova, et al., 1982DH
65.51298.15Beaumont, 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
Deltavap11.5 ± 0.1kcal/molCGCNichols, Orf, et al., 2000AC
Deltavap10.7kcal/molN/AMansson, 1969DRB

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
10.9371. - 434.EBLi, Fang, et al., 2009AC
11.3301.AStephenson and Malanowski, 1987Based on data from 286. - 433. K. See also Stull, 1947.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
286. - 433.04.866521922.137-38.063Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
4.250209.1Domalski and Hearing, 1996AC
4.2531209.1Beaumont, Clegg, et al., 1966DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
20.3209.1Beaumont, 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 bullet Ethane, 1,1'-oxybis[2-methoxy-)

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

Quantity Value Units Method Reference Comment
Deltar15.1 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.6 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

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

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

Bond type: Hydrogen bonds between protonated and neutral organics

Quantity Value Units Method Reference Comment
Deltar30.5kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar50.9cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M

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

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

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar32.8kcal/molPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M
Quantity Value Units Method Reference Comment
Deltar40.0cal/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M

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

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

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar32.4kcal/molPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M
Quantity Value Units Method Reference Comment
Deltar36.1cal/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M

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

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

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar34.7kcal/molPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M
Quantity Value Units Method Reference Comment
Deltar38.6cal/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M

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

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

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar31.5kcal/molPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M
Quantity Value Units Method Reference Comment
Deltar36.5cal/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M

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

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

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar39.7kcal/molPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M
Quantity Value Units Method Reference Comment
Deltar44.6cal/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; diglyme; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar20.6kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Deltar34.7cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

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

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

Bond type: Hydrogen bonds between protonated and neutral organics

Quantity Value Units Method Reference Comment
Deltar21.3kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Deltar38.0cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

IR Spectrum

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

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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Download spectrum in JCAMP-DX format.

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

View image of digitized spectrum (can be printed in landscape orientation).

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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 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