Acetic acid, hydroxy-, methyl ester

Formula: C₃H₆O₃
Molecular weight: 90.0779
IUPAC Standard InChI: InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3
IUPAC Standard InChIKey: GSJFXBNYJCXDGI-UHFFFAOYSA-N
CAS Registry Number: 96-35-5
Chemical structure:
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Other names: Glycolic acid, methyl ester; Methyl glycolate; Methyl hydroxyacetate; Methyl ester of hydroxyacetic acid
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Gas phase ion energetics data

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Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LL - Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.42 ± 0.05	EI	Burgers, Holmes, et al., 1987	LBLHLM

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CH₃O⁺	10.82 ± 0.05	C₂H₃O₂	EI	Suh, Kingsmill, et al., 1995	Unpublished result of F.P.Lossing; LL
CH₅O⁺[CH₃OH₂⁺]	11.5 ± 0.1	CO+CHO	EI	Burgers, Holmes, et al., 1987	LBLHLM
C₂H₃O₂⁺	11.38 ± 0.05	CH₂OH	EI	Blanchette, Holmes, et al., 1986	LBLHLM
C₂H₃O₃⁺	10.50	CH₃	EI	Burgers, Holmes, et al., 1987	LBLHLM
C₂H₅O₂⁺	10.74 ± 0.05	CHO	EI	Suh, Kingsmill, et al., 1995	Unpublished result of F.P.Lossing; LL
C₂H₆O₂⁺[CH₃O··H··O=CH₂⁺]	10.9 ± 0.2	CO	EI	Burgers, Holmes, et al., 1987	LBLHLM

References

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Burgers, Holmes, et al., 1987
Burgers, P.C.; Holmes, J.L.; Hop, C.E.C.A.; Postma, R.; Ruttink, P.J.A.; Terlouw, J.K., The isomeric [C₂H₆O₂]⁺ hydrogen-bridged radical cations [CH₂-O(H)...H...O=CH₂]⁺, [CH₃-O...H...O=CH₂]⁺, and [CH₃-O(H)...H...O=CH]⁺: Theory and experiment, J. Am. Chem. Soc., 1987, 109, 7315. [all data]

Suh, Kingsmill, et al., 1995
Suh, D.; Kingsmill, C.A.; Ruttink, P.J.A.; Burgers, P.C.; Terlouw, J.K., C-H...O and O...H...O bonded intermediates in the dissociation of low energy methyl glycolate radical cations, Int. J. Mass Spectrom. Ion Processes, 1995, 146/147, 305. [all data]

Blanchette, Holmes, et al., 1986
Blanchette, M.C.; Holmes, J.L.; Hop, C.E.C.A.; Lossing, F.P.; Postma, R.; Ruttink, P.J.A.; Terlouw, J.K., Theory and experiment in concert; the CH₃O-C=O⁺ ion and its isomers, J. Am. Chem. Soc., 1986, 108, 7589. [all data]

Notes

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Symbols used in this document:

AE Appearance energy
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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