Methan-d3-ol

• Formula: CHD₃O
• Molecular weight: 35.0603
• IUPAC Standard InChI: InChI=1S/CH4O/c1-2/h2H,1H3/i1D3 Copy

  
• IUPAC Standard InChIKey: OKKJLVBELUTLKV-FIBGUPNXSA-N Copy
• CAS Registry Number: 1849-29-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Isotopologues:
  • Methanol-o-d1
  • Methyl Alcohol
  • Methanol-D4
• Other names: Methanol-d3; CD3OH; (2H3)methanol
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• Information on this page:
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Condensed phase 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 by: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
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

Mass spectrum (electron ionization)

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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Vibrational and/or electronic energy levels

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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 by: Takehiko Shimanouchi

Gas     Symmetry:   C_s     Symmetry Number σ = 1

Source: Shimanouchi, 1972

Liquid     Symmetry:   C_s     Symmetry Number σ = 1

Source: Shimanouchi, 1972

Notes

References

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Notes

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

Filatov and Afanas'ev, 1992
Filatov, V.A.; Afanas'ev, V.N., Differential heat-flux calorimeter, Izv. Vysshikh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1992, 35(8), 97-100. [all data]

Momigny, Wankenne, et al., 1980
Momigny, J.; Wankenne, H.; Krier, C., Correlation diagram approach to the dissociative ionization mechanisms of methanol, Int. J. Mass Spectrom. Ion Phys., 1980, 35, 151. [all data]

Lifshitz, Shapiro, et al., 1969
Lifshitz, C.; Shapiro, M.; Sternberg, R., Isotopic effects on metastable transitions. IV. Isotopic methanols, Israel J. Chem., 1969, 7, 391. [all data]

Burgers, Mommers, et al., 1983
Burgers, P.C.; Mommers, A.A.; Holmes, J.L., Ionized oxycarbenes: [COH]⁺, [HCOH]⁺, [C(OH)₂]⁺, [HCO₂]⁺, and [COOH]⁺, their generation, identification, heat of formation, and dissociation characteristics, J. Am. Chem. Soc., 1983, 105, 5976. [all data]

Potapov and Sorokin, 1970
Potapov, V.K.; Sorokin, V.V., Investigation of molecular-ion reactions upon photoionization of methanol and ethanol, Dokl. Akad. Nauk SSSR, 1970, 192, 590, In original 412. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  AE	Appearance energy
  Cp,liquid	Constant pressure heat capacity of liquid

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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