Propanenitrile, 3-hydroxy-

• Formula: C₃H₅NO
• Molecular weight: 71.0779
• IUPAC Standard InChI: InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2 Copy

  
• IUPAC Standard InChIKey: WSGYTJNNHPZFKR-UHFFFAOYSA-N Copy
• CAS Registry Number: 109-78-4
• 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: Hydracrylonitrile; β-Cyanoethanol; β-Hydroxypropionitrile; Ethylene cyanohydrin; Glycol cyanohydrin; Methanolacetonitrile; 2-Cyanoethanol; 2-Cyanoethyl alcohol; 2-Hydroxycyanoethane; 3-Hydroxypropanenitrile; 3-Hydroxypropionitrile; 3-Hydroxyacrylonitrile; beta-Hpn3; Hydroxypropanenitrile; Propionitrile, 3-hydroxy-; USAF RH-7; beta-Hpn; 2-Hydroxyethylkyanid; 2-Hydroxyethyl cyanide; 2-Cyano-1-ethanol; NSC 2598; 1-Cyano-2-hydroxyethane; 3-hydroxypropiononitrile
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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
AC - William E. Acree, Jr., James S. Chickos

Reduced pressure boiling point

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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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 and Joel F. Liebman

View reactions leading to C₃H₅NO⁺ (ion structure unspecified)

Appearance energy determinations

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• LIQUID (NEAT); PERKIN-ELMER 21 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas

References

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

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]

Roux, Notario, et al., 2007
Roux, María Victoria; Notario, Rafael; Vélez, Ederley; Temprado, Manuel; Guerrero, Andrés; Verevkin, Sergey P.; Quijano, Jairo; Gaviria, Jair, Experimental and computational thermochemical study of 3-hydroxypropanenitrile, The Journal of Chemical Thermodynamics, 2007, 39, 10, 1377-1383, https://doi.org/10.1016/j.jct.2007.03.011 . [all data]

Frinton Laboratories Inc., 1986
Frinton Laboratories Inc., Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Holmes, Lossing, et al., 1993
Holmes, J.L.; Lossing, F.P.; Mayer, P.M., The effects of methyl substitution on the structure and thermochemistry of the cyanomethyl radical and cation, Chem. Phys. Lett., 1993, 212, 134. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  Tboil	Boiling point
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

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