Propanenitrile, 3-hydroxy-

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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

Quantity Value Units Method Reference Comment
Tboil501.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Δvap14.9 ± 0.1kcal/molGSRoux, Notario, et al., 2007Based on data from 306. to 361. K.; AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
379. to 381.0.014Frinton Laboratories Inc., 1986BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
12.8346.AStephenson and Malanowski, 1987Based on data from 331. to 494. K.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
331.9 to 494.6.443063396.53632.595Stull, 1947Coefficents calculated by NIST from author's data.

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

Ion AE (eV) Other Products MethodReferenceComment
CH3O+10.84 ± 0.02C2H2NEIHolmes, Lossing, et al., 1993 

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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