Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

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

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, 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

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, 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:
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

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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:
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

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, 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]

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, Reaction thermochemistry data, References