MeOCH2CO2 Anion - The NIST WebBook

MeOCH2CO2 anion

• Formula: C3H5O3-
• Molecular weight: 89.0705
• IUPAC Standard InChI: InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1 Copy
• IUPAC Standard InChIKey: RMIODHQZRUFFFF-UHFFFAOYSA-M Copy
• CAS Registry Number: 20758-58-1
• Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or Javascript.
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
• Options:
  • Switch to calorie-based units

Ion clustering data

Go To: Top, 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

+ = ( • )

By formula: C3H5O3- + H2O = (C3H5O3- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	65.3 ± 6.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity	Value	Units	Method	Reference	Comment
ΔrG°	36.0 ± 1.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

( • ) + = ( • 2)

By formula: (C3H5O3- • H2O) + H2O = (C3H5O3- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	54.8 ± 6.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity	Value	Units	Method	Reference	Comment
ΔrG°	25.5 ± 1.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

( • 2) + = ( • 3)

By formula: (C3H5O3- • 2H2O) + H2O = (C3H5O3- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	49.4 ± 6.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity	Value	Units	Method	Reference	Comment
ΔrG°	20.1 ± 1.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

References

Go To: Top, Ion clustering data, Notes

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

Blades, Klassen, et al., 1995 Blades, A.T.; Klassen, J.S.; Kebarle, P., Free Energies of Hydration in the Gas Phase on the Anions of Some Oxo Acids of C, N, S, P, Cl and I, J. Am. Chem. Soc., 1995, 117, 42, 10563, https://doi.org/10.1021/ja00147a019 . [all data]

Notes

Go To: Top, Ion clustering data, References

• Symbols used in this document:

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.