Propanal, 2-methyl-

• Formula: C₄H₈O
• Molecular weight: 72.1057
• IUPAC Standard InChI: InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3 Copy

  
• IUPAC Standard InChIKey: AMIMRNSIRUDHCM-UHFFFAOYSA-N Copy
• CAS Registry Number: 78-84-2
• 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: Isobutyraldehyde; α-Methylpropionaldehyde; Isobutanal; Isopropylaldehyde; Isopropylformaldehyde; 2-Methylpropanal; 2-Methylpropionaldehyde; iso-C3H7CHO; Isobutylaldehyde; Isobutyric aldehyde; 2-Methyl-1-propanal; Isobutyraldehyd; Propionaldehyde, 2-methyl-; Valine aldehyde; Isobutaldehyde; Isobutyryl aldehyde; Methyl propanal; NCI-C60968; UN 2045; Isobutyral; NSC 6739; 2-methylpropanal (isobutanal)
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Computational Chemistry Comparison and Benchmark Database
  • Gas Phase Kinetics Database
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Reaction 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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

C₄H₇O^- +  =

By formula: C₄H₇O^- + H⁺ = C₄H₈O

 +  =

By formula: H₂ + C₄H₈O = C₄H₁₀O

(CAS Reg. No. 35730-34-8 • 4294967295) +  = CAS Reg. No. 35730-34-8

By formula: (CAS Reg. No. 35730-34-8 • 4294967295C₄H₈O) + C₄H₈O = CAS Reg. No. 35730-34-8

=  + 

By formula: C₄H₁₀O = H₂ + C₄H₈O

 +  = 2 + 

By formula: C₆H₁₄O₂ + H₂O = 2CH₄O + C₄H₈O

 +  =

By formula: H₂O + C₄H₈O = C₄H₁₀O₂

3 =

By formula: 3C₄H₈O = C₁₂H₂₄O₃

=

By formula: C₄H₈O = C₄H₈O

References

Go To: Top, Reaction thermochemistry data, Notes

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

Alconcel, Deyerl, et al., 2001
Alconcel, L.S.; Deyerl, H.J.; Continetti, R.E., Effects of alkyl substitution on the energetics of enolate anions and radicals, J. Am. Chem. Soc., 2001, 123, 50, 12675-12681, https://doi.org/10.1021/ja0120431 . [all data]

Wiberg, Crocker, et al., 1991
Wiberg, K.B.; Crocker, L.S.; Morgan, K.M., Thermochemical studies of carbonyl compounds. 5. Enthalpies of reduction of carbonyl groups, J. Am. Chem. Soc., 1991, 113, 3447-3450. [all data]

Connett, 1975
Connett, J.E., Chemical equilibria 6. Measurement of equilibrium constants for the dehydrogenation of 2-methylpropan-1-ol by a vapour-flow technique, J. Chem. Thermodyn., 1975, 7, 1159-1162. [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]

Wiberg and Squires, 1981
Wiberg, K.B.; Squires, R.R., Thermochemical studies of carbonyl reactions. 2. Steric effects in acetal and ketal hydrolysis, J. Am. Chem. Soc., 1981, 103, 4473-4478. [all data]

Green and Hine, 1973
Green, L.R.; Hine, J., Isobutyraldehyde. The kinetics of acid- and base-catalyzed equilibrations in water, J. Org. Chem., 1973, 38, 2801-28. [all data]

Ogorodnikov, Katsnel'son, et al., 1990
Ogorodnikov, A.L.; Katsnel'son, M.G.; Pinson, V.V.; Levin, Yu.V., Study of thermodynamic characteristics of a butyraldehyde-cyclic trimer system, Zh. Prikl. Khim. (Leningrad), 1990, 63, 1340-1343. [all data]

Farberov, Bondarenko, et al., 1984
Farberov, M.I.; Bondarenko, A.V.; Tsilyurik, T.V.; Srednev, S.S.; Shutova, I.A., Epoxidation of isobutene with organic hydroperoxides, and certain syntheses on this basis, J. Anal. Chem. USSR, 1984, 57, 1915-1919. [all data]

Notes

Go To: Top, Reaction thermochemistry data, References

• Symbols used in this document:
  

  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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