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Propanenitrile, 2,2-dimethyl-

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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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
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

Quantity Value Units Method Reference Comment
Tboil370. ± 30.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus288.65KN/AButlerov, 1873Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Ttriple292.13KN/AWestrum and Ribner, 1967Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Deltavap8.96kcal/molN/AMajer and Svoboda, 1985 
Deltavap8.76kcal/molVHall and Baldt, 1971ALS
Deltavap8.75kcal/molN/AHall and Baldt, 1971DRB
Deltavap8.927 ± 0.007kcal/molVHoward and Wadso, 1970ALS
Deltavap9.03kcal/molIWestrum and Ribner, 1967, 2Based on data from 313. - 371. K.; AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
7.74379.2N/AMajer and Svoboda, 1985 
8.72328.A,IStephenson and Malanowski, 1987Based on data from 313. - 371. K. See also Westrum and Ribner, 1967, 2.; AC
8.84318.BGBaldt and Hall, 1971Based on data from 299. - 365. 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
313.37 - 378.53.930571238.154-63.416Ribner and Westrum, 1967Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.22292.1Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
0.261213.Domalski and Hearing, 1996CAL
1.86232.7
7.60292.1

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.0550213.crystaline, IIIcrystaline, IIWestrum and Ribner, 1967, 2DH
0.4570232.74crystaline, IIcrystaline, IWestrum and Ribner, 1967, 2S not equal to H/T, see article.; DH
2.220292.13crystaline, IliquidWestrum and Ribner, 1967, 2DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.258213.crystaline, IIIcrystaline, IIWestrum and Ribner, 1967, 2DH
1.86232.74crystaline, IIcrystaline, IWestrum and Ribner, 1967, 2S; DH
7.598292.13crystaline, IliquidWestrum and Ribner, 1967, 2DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


References

Go To: Top, Phase change data, Notes

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

Butlerov, 1873
Butlerov, A., Justus Liebigs Ann. Chem., 1873, 170, 151. [all data]

Westrum and Ribner, 1967
Westrum, E.F.; Ribner, A., Trimethylacetonitrile low-temperature heat capacity, vapor pressure, and chemical thermodynamics of the crystalline, liquid and gaseous phases, J. Phys. Chem., 1967, 71, 1216. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Hall and Baldt, 1971
Hall, H.K., Jr.; Baldt, J.H., Thermochemistry of strained-ring bridgehead nitriles and esters, J. Am. Chem. Soc., 1971, 93, 140-145. [all data]

Howard and Wadso, 1970
Howard, P.B.; Wadso, I., Enthalpies of vaporization of organic compounds IV. Alkyl Nitriles, Acta Chem. Scand., 1970, 24, 145. [all data]

Westrum and Ribner, 1967, 2
Westrum, E.F., Jr.; Ribner, A., Trimethylacetonitrile. Low-temperature heat capacity, vapor pressure, and chemical thermodynamics of the crystalline, liquid, and gaseous phases, J. Phys. Chem., 1967, 71, 1216-1224. [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]

Baldt and Hall, 1971
Baldt, J.H.; Hall, H.K.K., Jr., Thermochemistry of strained-ring bridgehead nitriles and esters, J. Am. Chem. Soc., 1971, 93, 140-145. [all data]

Ribner and Westrum, 1967
Ribner, A.; Westrum, E.F., Jr., Dimethylmalononitrile. Low-Temperature Heat Capacity, Vapor Pressure, Density, and Chemical Thermodynamics of the Crystalline, Liquid, and Gaseous Phases, J. Phys. Chem., 1967, 71, 5, 1208-1224, https://doi.org/10.1021/j100864a005 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]


Notes

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