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Propanedinitrile

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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, Chris Muzny, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil493.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil491.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus305.KN/AStephenson, 1994Uncertainty assigned by TRC = 2. K; TRC
Tfus304.KN/ATrunel, 1939Uncertainty assigned by TRC = 3. K; TRC
Tfus307.6KN/AVan de Vloed, 1939Uncertainty assigned by TRC = 0.6 K; TRC
Tfus304.65KN/ABruhl, 1895Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple304.910KN/AGirdhar, Westrum, et al., 1968Crystal phase 1 phase; Uncertainty assigned by TRC = 0.06 K; TRC
Ttriple304.980KN/AGirdhar, Westrum, et al., 1968Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple304.99KN/AWestrum and Wulff, 1968Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Deltasub18.73 ± 0.23kcal/molCBeckhaus, Dogan, et al., 1990ALS
Deltasub18.7kcal/molN/ABeckhaus, Dogan, et al., 1990DRB
Deltasub18.7 ± 0.24kcal/molN/ABeckhaus, Dogan, et al., 1990Based on data from 278. - 299. K.; AC
Deltasub18.9 ± 0.2kcal/molVBoyd, Guha, et al., 1967ALS
Deltasub19.1kcal/molN/ABoyd, Guha, et al., 1967DRB

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
382.20.026Weast and Grasselli, 1989BS

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
2.56305.DSCBadea, Blanco, et al., 2007AC
2.58305.N/ADomalski and Hearing, 1996AC

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
140.crystaline, IV, Recrystaline, II, entrant phase transition; second orderWasiutynski, Olejarczyk, et al., 1987DH
303.crystaline, Icrystaline, I'Wasiutynski, Olejarczyk, et al., 1987First order transition.; DH
260.crystaline, IIIcrystaline, IIWasiutynski, Olejarczyk, et al., 1987Phase III is stable below 260 K.; DH
295.crystaline, IIcrystaline, IWasiutynski, Olejarczyk, et al., 1987Second order transition.; DH

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.5801304.99crystaline, IliquidGirdhar, Westrum, et al., 1968, 2DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
8.458304.99crystaline, IliquidGirdhar, Westrum, et al., 1968, 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.

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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, 1994
Stephenson, R.M., Mutual Solubility of Water and Nitriles, J. Chem. Eng. Data, 1994, 39, 225-7. [all data]

Trunel, 1939
Trunel, P., Electric Moments in Several Homologous Series of Organic Compounds, Ann. Chim. (Paris), 1939, 12, 110. [all data]

Van de Vloed, 1939
Van de Vloed, A., Bull. Soc. Chim. Belg., 1939, 48, 229. [all data]

Bruhl, 1895
Bruhl, J.W., Spectrochemistry of Nitrogen-Containing Compounds. I., Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1895, 16, 193. [all data]

Girdhar, Westrum, et al., 1968
Girdhar, H.L.; Westrum, E.F.; Wulff, C.A., Thermodynamic properties and third-law cycle for malononitrile., J. Chem. Eng. Data, 1968, 13, 239-42. [all data]

Westrum and Wulff, 1968
Westrum, E.F.; Wulff, C.A., Thermodynamic properties and third-law cycle for malononitrile, J. Chem. Eng. Data, 1968, 13, 239. [all data]

Beckhaus, Dogan, et al., 1990
Beckhaus, H.D.; Dogan, B.; Pakusch, J.; Verevkin, S.; Ruechardt, C., Geminal substituent effects. 4. The dependence of the inverse anomeric effect of geminal cyano groups on the structure, Chem. Ber., 1990, 123, 2153-2159. [all data]

Boyd, Guha, et al., 1967
Boyd, R.H.; Guha, K.R.; Wuthrich, R., Thermochemistry of cyanocarbons. II. The heats of combustion of pyridinium dicyanomethylide, malononitrile, and fumaronitrile, J. Phys. Chem., 1967, 71, 2187-2191. [all data]

Badea, Blanco, et al., 2007
Badea, Elena; Blanco, Ignazio; Della Gatta, Giuseppe, Fusion and solid-to-solid transitions of a homologous series of alkane-«alpha»,«omega»-dinitriles, The Journal of Chemical Thermodynamics, 2007, 39, 10, 1392-1398, https://doi.org/10.1016/j.jct.2007.03.005 . [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]

Wasiutynski, Olejarczyk, et al., 1987
Wasiutynski, T.; Olejarczyk, W.; Sciesinski, J.; Witko, W., Phase transition studies of malononitrile, J. Phys. C: Solid State Phys., 1987, 20, L65-L69. [all data]

Girdhar, Westrum, et al., 1968, 2
Girdhar, H.L.; Westrum, E.F., Jr.; Wulff, C.A., Thermodynamic properties and third-law cycle for malononitrile, J. Chem. Eng. Data, 1968, 13, 239-242. [all data]


Notes

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