Ethanol, 2-methoxy-

• Formula: C₃H₈O₂
• Molecular weight: 76.0944
• IUPAC Standard InChI: InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3 Copy

  
• IUPAC Standard InChIKey: XNWFRZJHXBZDAG-UHFFFAOYSA-N Copy
• CAS Registry Number: 109-86-4
• 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.
• Species with the same structure:
  • methoxyethanol
• Other names: β-Methoxyethanol; Dowanol EM; Ethylene glycol monomethyl ether; Methoxyethanol; Methyl cellosolve; Monomethyl glycol; MECS; Poly-Solv EM; 1-Hydroxy-2-methoxyethane; 2-Methoxy-1-ethanol; 2-Methoxyethanol; HOCH2CH2OCH3; 2-Hydroxyethyl methyl ether; Aethylenglykol-monomethylaether; Ether monomethylique de l'ethylene-glycol; Ethylene glycol methyl ether; Glycol monomethyl ether; Glycolmethyl ether; Methoxyhydroxyethane; Methyl glycol; Methyl oxitol; Methylglykol; Metil cellosolve; Metoksyetylowy alkohol; Monomethyl ether of ethylene glycol; 2-Methoxy-aethanol; 2-Metossietanolo; EGME; Glycol ether EM; Jeffersol EM; Methylcelosolv; Methyl ethoxol; Prist; UN 1188; Methoxyethylene glycol; Ektasolve EM; 2-Methoxyethyl alcohol; Methyl icinol; 3-Oxa-1-butanol; Amsco-Solv EE; Monoethylene glycol methyl ether; NSC 1258; EGM; 2-methoxyethanol (methyl cellosolve)
• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • IR Spectrum
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Gas phase ion energetics data

Go To: Top, 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

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

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

C₃H₇O₂^- +  =

By formula: C₃H₇O₂^- + H⁺ = C₃H₈O₂

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Gas phase ion energetics data, 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.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Lossing, 1977
Lossing, F.P., Heats of formation of some isomeric [C_nH_2n+1]⁺ ions. Substitutional effects on ion stability, J. Am. Chem. Soc., 1977, 99, 7526. [all data]

Burgers, Holmes, et al., 1983
Burgers, P.C.; Holmes, J.L.; Szulejko, J.E.; Mommers, A.A.; Terlouw, J.K., The gas phase ion chemistry of the acetyl cation and isomeric [C₂H₃O]⁺ ions. On the structure of the [C₂H₃O]⁺ daughter ions generated from the enol of acetone radical cation, Org. Mass Spectrom., 1983, 18, 254. [all data]

Holmes, Lossing, et al., 1982
Holmes, J.L.; Lossing, F.P.; Terlouw, J.K.; Burgers, P.C., The radical cation [CH₂OH₂]⁺ and related stable gas phase ion-dipole complexes, J. Am. Chem. Soc., 1982, 104, 2931. [all data]

Holmes and Lossing, 1984
Holmes, J.L.; Lossing, F.P., Heats of formation of organic radicals from appearance energies, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 113. [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  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
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