Acetaldehyde

• Formula: C₂H₄O
• Molecular weight: 44.0526
• IUPAC Standard InChI: InChI=1S/C2H4O/c1-2-3/h2H,1H3 Copy

  
• IUPAC Standard InChIKey: IKHGUXGNUITLKF-UHFFFAOYSA-N Copy
• CAS Registry Number: 75-07-0
• 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.
• Other names: Acetic aldehyde; Ethanal; Ethyl aldehyde; CH3CHO; Acetaldehyd; Aldehyde acetique; Aldeide acetica; NCI-C56326; Octowy aldehyd; Acetylaldehyde; Rcra waste number U001; UN 1089; NSC 7594
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Reaction thermochemistry data
  • Henry's Law data
  • 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
  • Ion clustering data
  • IR Spectrum
  • UV/Visible spectrum
  • Vibrational and/or electronic energy levels
  • Gas Chromatography
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  • Gas Phase Kinetics Database
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Reaction thermochemistry data

Go To: Top, Henry's Law data, Gas phase ion energetics data, 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 compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

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

C₂H₃O^- +  =

By formula: C₂H₃O^- + H⁺ = C₂H₄O

C₂H₅O⁺ +  = (C₂H₅O⁺ • )

By formula: C₂H₅O⁺ + C₂H₄O = (C₂H₅O⁺ • C₂H₄O)

Bond type: Hydrogen bonds of the type OH-O between organics

C₂H₇O⁺ +  = (C₂H₇O⁺ • )

By formula: C₂H₇O⁺ + C₂H₄O = (C₂H₇O⁺ • C₂H₄O)

Bond type: Hydrogen bonds of the type OH-O between organics

C₂H₅O⁺ +  = (C₂H₅O⁺ • )

By formula: C₂H₅O⁺ + C₂H₄O = (C₂H₅O⁺ • C₂H₄O)

Bond type: Hydrogen bonds of the type OH-O between organics

C₂H₃O^- +  =

By formula: C₂H₃O^- + H⁺ = C₂H₄O

 +  = ( • )

By formula: Cl^- + C₂H₄O = (Cl^- • C₂H₄O)

 +  = ( • )

By formula: C₂H₃O₂^- + C₂H₄O = (C₂H₃O₂^- • C₂H₄O)

Bond type: Hydrogen bonds of deprotonated acids to ketones/

 +  =

By formula: H₂ + C₂H₄O = C₂H₆O

(C₂H₅O^- • 4294967295) +  = C₂H₅O^-

By formula: (C₂H₅O^- • 4294967295C₂H₄O) + C₂H₄O = C₂H₅O^-

 +  = ( • )

By formula: NO^- + C₂H₄O = (NO^- • C₂H₄O)

 +  = ( • )

By formula: Li⁺ + C₂H₄O = (Li⁺ • C₂H₄O)

3 =

By formula: 3C₂H₄O = C₆H₁₂O₃

 +  = ( • )

By formula: Mg⁺ + C₂H₄O = (Mg⁺ • C₂H₄O)

 +  = 2 + 

By formula: C₄H₁₀O₂ + H₂O = 2CH₄O + C₂H₄O

 +  = 2 + 

By formula: C₄H₁₀O₂ + H₂O = 2CH₄O + C₂H₄O

 +  = 2 + 

By formula: C₄H₁₀O₂ + H₂O = 2CH₄O + C₂H₄O

2 +  =  + 

By formula: 2CH₄O + C₂H₄O = C₄H₁₀O₂ + H₂O

 +  =  + 

By formula: C₂H₄O + I₂ = HI + C₂H₃IO

 +  =  + 

By formula: H₂O + C₈H₁₀N₂ = C₆H₈N₂ + C₂H₄O

= 3

By formula: C₆H₁₂O₃ = 3C₂H₄O

 +  = ( • )

By formula: Na⁺ + C₂H₄O = (Na⁺ • C₂H₄O)

 +  = ( • )

By formula: Ag⁺ + C₂H₄O = (Ag⁺ • C₂H₄O)

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, Henry's Law data, 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
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₂H₄O⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

C₂H₃O^- +  =

By formula: C₂H₃O^- + H⁺ = C₂H₄O

C₂H₃O^- +  =

By formula: C₂H₃O^- + H⁺ = C₂H₄O

Mass spectrum (electron ionization)

Go To: Top, Reaction thermochemistry data, Henry's Law 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Reaction thermochemistry data, Henry's Law data, 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.

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Burgers, P.C.; Holmes, J.L., Metastable ion studies. XIII. The measurement of appearance energies of metastable peaks, Org. Mass Spectrom., 1982, 17, 123. [all data]

Notes

Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

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