Propanal, 2,2-dimethyl-

• Formula: C₅H₁₀O
• Molecular weight: 86.1323
• IUPAC Standard InChI: InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3 Copy

  
• IUPAC Standard InChIKey: FJJYHTVHBVXEEQ-UHFFFAOYSA-N Copy
• CAS Registry Number: 630-19-3
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Pivalaldehyde; α,α-Dimethylpropionaldehyde; Neopentanal; Pivalic aldehyde; Trimethylacetaldehyde; 2,2-Dimethylpropanal; 2,2-Dimethylpropionaldehyde; tert-C4H9CHO; Pivaldehyde; NSC 22043; tert-Valeraldehyde
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Ion clustering data
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Phase change data

Go To: Top, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Reduced pressure boiling point

Enthalpy of vaporization

Enthalpy of fusion

Entropy of fusion

Temperature of phase transition

Enthalpy of phase transition

Entropy of phase transition

Gas phase ion energetics data

Go To: Top, Phase change 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:
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

View reactions leading to C₅H₁₀O⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

C₅H₉O^- +  =

By formula: C₅H₉O^- + H⁺ = C₅H₁₀O

Mass spectrum (electron ionization)

Go To: Top, Phase change 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, Phase change 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.

Anonymous, 1957
Anonymous, R., , Am. Pet. Inst. Res. Proj. 6, Carnegie-Mellon Univ., 1957. [all data]

Meunier, 1936
Meunier, V.C., , Ph.D. Thesis, Penn. State Univ., Univ. Park, 1936. [all data]

Pringsheim and Leibowitz, 1923
Pringsheim; Leibowitz, Chem. Ber., 1923, 56, 2034. [all data]

Richard, 1910
Richard, A., Ann. Chim. Phys., 1910, 21, 323. [all data]

Sommelet, 1893
Sommelet, M., Ann. Chim. Phys., 1893, 29, 321. [all data]

White and Perrott, 1988
White, M.A.; Perrott, A., The thermodynamics of orientational disorder in a molecular solid: (CH, Can. J. Chem., 1988, 66, 4, 729, https://doi.org/10.1139/v88-127 . [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Varughese and Sommerfeld, 1989
Varughese, Babu; Sommerfeld, Jude T., Vapor pressure of pivalaldehyde, J. Chem. Eng. Data, 1989, 34, 1, 25-26, https://doi.org/10.1021/je00055a008 . [all data]

White and Perrott, 1988, 2
White, M.A.; Perrott, A., The thermodynamics of orientational disorder in a molecular solid: (CH₃)₃CCHO, Can. J. Chem., 1988, 66, 729-733. [all data]

Korkhov, D'yakova, et al., 1983
Korkhov, A.D.; D'yakova, G.N.; Vasil'ev, I.A., Heat capacity of pivalaldehyde and valeraldehyde, Fiz.-khim. Aspekty Razrab. Neftekhim. Protsessov, 1983, M. [all data]

Desfrancois, Abdoul-Carime, et al., 1994
Desfrancois, C.; Abdoul-Carime, H.; Khelifa, N.; Schermann, J.P., Fork 1/r to 1/r2 Potentials: Electron Exchange between Rydberg Atoms and Polar Molecules, Phys. Rev. Lett., 1994, 73, 18, 2436, https://doi.org/10.1103/PhysRevLett.73.2436 . [all data]

Traeger, 1985
Traeger, J.C., Heat of formation for the propanoyl cation by photoionization mass spectrometry, Org. Mass Spectrom., 1985, 20, 223. [all data]

Hernandez, Masclet, et al., 1977
Hernandez, R.; Masclet, P.; Mouvier, G., Spectroscopie de photoelectrons d'aldehydes et de cetones aliphatiques, J. Electron Spectrosc. Relat. Phenom., 1977, 10, 333. [all data]

Cocksey, Eland, et al., 1971
Cocksey, B.J.; Eland, J.H.D.; Danby, C.J., The effect of alkyl substitution on ionisation potential, J. Chem. Soc., 1971, (B), 790. [all data]

Noest and Nibbering, 1980
Noest, A.J.; Nibbering, N.M.M., Homoconjugation vs. charge dipole stabilization interaction effects in the stabilization of carbanions in the gas phase, J. Am. Chem. Soc., 1980, 102, 6427. [all data]

Notes

Go To: Top, Phase change 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
  Tboil	Boiling point
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  Ttrs	Temperature of phase transition
  ΔHtrs	Enthalpy of phase transition
  ΔStrs	Entropy of phase transition
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization

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