Methanol-D4

• Formula: CD₄O
• Molecular weight: 36.0665
• IUPAC Standard InChI: InChI=1S/CH4O/c1-2/h2H,1H3/i1D3,2D Copy

  
• IUPAC Standard InChIKey: OKKJLVBELUTLKV-MZCSYVLQSA-N Copy
• CAS Registry Number: 811-98-3
• 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.
• Isotopologues:
  • Methan-d3-ol
  • Methanol-o-d1
  • Methyl Alcohol
• Other names: Tetradeuteromethanol; CD3OD; (2H4)methanol
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
  • Switch to SI units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Condensed phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Reaction thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Ion clustering 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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

CH₃O^- +  = C₂H₄D₇O₂^-

By formula: CH₃O^- + CD₄O = C₂H₄D₇O₂^-

C₂H^- +  = C₃H₂D₅^-

By formula: C₂H^- + CD₄O = C₃H₂D₅^-

CD₃O^- +  = C₂HD₇O₂^-

By formula: CD₃O^- + CD₄O = C₂HD₇O₂^-

CD₃O^- +  =

By formula: CD₃O^- + D⁺ = CD₄O

Gas phase ion energetics data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Ion clustering 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 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

Ionization energy determinations

Appearance energy determinations

Ion clustering data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, 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: John E. Bartmess

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

CD₃O^- +  = C₂HD₇O₂^-

By formula: CD₃O^- + CD₄O = C₂HD₇O₂^-

CH₃O^- +  = C₂H₄D₇O₂^-

By formula: CH₃O^- + CD₄O = C₂H₄D₇O₂^-

C₂H^- +  = C₃H₂D₅^-

By formula: C₂H^- + CD₄O = C₃H₂D₅^-

References

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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]

Chabinyc and Brauman, 2000
Chabinyc, M.L.; Brauman, J.I., Unusual ionic hydrogen bonds: Complexes of acetylides and fluoroform, J. Am. Chem. Soc., 2000, 122, 36, 8739-8745, https://doi.org/10.1021/ja000806z . [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]

Nishimura, Niwa, et al., 1980
Nishimura, T.; Niwa, Y.; Tsuchiya, T.; Nozoye, H., Ionic dissociation of methanol studied by photoelectron-photoion coincidence spectroscopy, J. Chem. Phys., 1980, 72, 2222. [all data]

MacNeil and Dixon, 1977
MacNeil, K.A.G.; Dixon, R.N., High-resolution photoelectron spectroscopy of methanol and its deuterated derivatives: Internal rotation in the ground ionic state, J. Electron Spectrosc. Relat. Phenom., 1977, 11, 315. [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]

Notes

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References

• Symbols used in this document:
  

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