Acetone cyanohydrin

• Formula: C₄H₇NO
• Molecular weight: 85.1045
• IUPAC Standard InChI: InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3 Copy

  
• IUPAC Standard InChIKey: MWFMGBPGAXYFAR-UHFFFAOYSA-N Copy
• CAS Registry Number: 75-86-5
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: α-Hydroxyisobutyronitrile; Propanenitrile, 2-hydroxy-2-methyl-; Lactonitrile, 2-methyl-; 2-Cyano-2-propanol; 2-Hydroxy-2-methylpropionitrile; 2-Hydroxyisobutyronitrile; 2-Methyllactonitrile; 2-Propanone, cyanohydrin; 2-Cyanopropan-2-ol; Acetoncianhidrinei; Acetoncianidrina; Acetoncyaanhydrine; Acetoncyanhydrin; Acetone cyanhydrin; Acetonecyanhydrine; Acetonkyanhydrin; Cyanhydrine d'acetone; USAF RH-8; 2-Cyano-2-hydroxypropane; Rcra waste number P069; UN 1541; 2-Hydroxy-2-methylpropanenitrile; NSC 131093
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Reduced pressure boiling point

Enthalpy of vaporization

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 by: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization 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

References

Go To: Top, Condensed phase thermochemistry data, 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.

Gubareva, Igolinskaya, et al., 1987
Gubareva, A.I.; Igolinskaya, M.A.; Beregovykh, V.V.; Gerasimov, P.A., Study of the transport and energetic properties of acetone cyanohydrin (2-hydroxyisobutyronitrile), J. Appl. Chem. USSR, 1987, 60, 668-670. [all data]

Anonymous, 1954
Anonymous, R., , Am. Pet. Inst. Res. Proj. 45, Tech. Rep. 13, Ohio State Univ., 1954. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Koppel, Molder, et al., 1983
Koppel, I.A.; Molder, U.H.; Pikver, R.J., Photoelectron spectra of molecules. I. Alcohols, Org. React. Tartu, 1983, 20, 45. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔvapH	Enthalpy of vaporization

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