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1,4,7,10,13,16-Hexaoxacyclooctadecane

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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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

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Individual Reactions

C4H5N2+ + 1,4,7,10,13,16-Hexaoxacyclooctadecane = (C4H5N2+ bullet 1,4,7,10,13,16-Hexaoxacyclooctadecane)

By formula: C4H5N2+ + C12H24O6 = (C4H5N2+ bullet C12H24O6)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar180. ± 20.kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar180.J/mol*KN/AMeot-Ner (Mautner), 1983gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
67.600.PHPMSMeot-Ner (Mautner), 1983gas phase; Entropy change calculated or estimated; M

C5H6N+ + 1,4,7,10,13,16-Hexaoxacyclooctadecane = (C5H6N+ bullet 1,4,7,10,13,16-Hexaoxacyclooctadecane)

By formula: C5H6N+ + C12H24O6 = (C5H6N+ bullet C12H24O6)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar180. ± 20.kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar180.J/mol*KN/AMeot-Ner (Mautner), 1983gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
67.550.PHPMSMeot-Ner (Mautner), 1983gas phase; Entropy change calculated or estimated; M

C6H14N+ + 1,4,7,10,13,16-Hexaoxacyclooctadecane = (C6H14N+ bullet 1,4,7,10,13,16-Hexaoxacyclooctadecane)

By formula: C6H14N+ + C12H24O6 = (C6H14N+ bullet C12H24O6)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar200. ± 20.kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar160.J/mol*KN/AMeot-Ner (Mautner), 1983gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
96.670.PHPMSMeot-Ner (Mautner), 1983gas phase; Entropy change calculated or estimated; M

C3H10N+ + 1,4,7,10,13,16-Hexaoxacyclooctadecane = (C3H10N+ bullet 1,4,7,10,13,16-Hexaoxacyclooctadecane)

By formula: C3H10N+ + C12H24O6 = (C3H10N+ bullet C12H24O6)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar170.kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar170.J/mol*KN/AMeot-Ner (Mautner), 1983gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
75.569.PHPMSMeot-Ner (Mautner), 1983gas phase; Entropy change calculated or estimated; M

Sodium ion (1+) + 1,4,7,10,13,16-Hexaoxacyclooctadecane = (Sodium ion (1+) bullet 1,4,7,10,13,16-Hexaoxacyclooctadecane)

By formula: Na+ + C12H24O6 = (Na+ bullet C12H24O6)

Quantity Value Units Method Reference Comment
Deltar296. ± 19.kJ/molCIDTRodgers and Armentrout, 2000RCD
Deltar300. ± 19.kJ/molCIDTMore, Ray, et al., 1999RCD

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
0.00.CIDTRodgers and Armentrout, 2000RCD
0.0298.CIDTMore, Ray, et al., 1999RCD

Cesium ion (1+) + 1,4,7,10,13,16-Hexaoxacyclooctadecane = (Cesium ion (1+) bullet 1,4,7,10,13,16-Hexaoxacyclooctadecane)

By formula: Cs+ + C12H24O6 = (Cs+ bullet C12H24O6)

Quantity Value Units Method Reference Comment
Deltar168. ± 9.2kJ/molCIDTRodgers and Armentrout, 2000RCD

Rubidium ion (1+) + 1,4,7,10,13,16-Hexaoxacyclooctadecane = (Rubidium ion (1+) bullet 1,4,7,10,13,16-Hexaoxacyclooctadecane)

By formula: Rb+ + C12H24O6 = (Rb+ bullet C12H24O6)

Quantity Value Units Method Reference Comment
Deltar191. ± 13.kJ/molCIDTRodgers and Armentrout, 2000RCD

Potassium ion (1+) + 1,4,7,10,13,16-Hexaoxacyclooctadecane = (Potassium ion (1+) bullet 1,4,7,10,13,16-Hexaoxacyclooctadecane)

By formula: K+ + C12H24O6 = (K+ bullet C12H24O6)

Quantity Value Units Method Reference Comment
Deltar235. ± 13.kJ/molCIDTRodgers and Armentrout, 2000RCD

References

Go To: Top, Reaction thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [all data]

More, Ray, et al., 1999
More, M.B.; Ray, D.; Armentrout, P.B., Intrinsic Affinities of Alkali Cations for 15-Crown-5 and 18-Crown-6: Bond Dissociation Energies of Gas-Phase M+-Crown Ether Complexes, J. Am. Chem. Soc., 1999, 121, 2, 417, https://doi.org/10.1021/ja9823159 . [all data]


Notes

Go To: Top, Reaction thermochemistry data, References