Fumaronitrile

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Gas 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

Quantity Value Units Method Reference Comment
Δfgas81.3 ± 0.6kcal/molCcbBoyd, Guha, et al., 1967 

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil459.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus369.KN/ABader, Buckley, et al., 1957Uncertainty assigned by TRC = 3. K; TRC
Tfus369.2KN/Ade Wolf and Van de Straete, 1935Uncertainty assigned by TRC = 0.8 K; TRC
Quantity Value Units Method Reference Comment
Δsub16.4kcal/molN/ADe Wit, Van Miltenburg, et al., 1983AC
Δsub17.2 ± 0.2kcal/molVBoyd, Guha, et al., 1967ALS
Δsub17.2kcal/molN/ABoyd, Guha, et al., 1967DRB

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
16.6260.TE,MEDe Wit, Van Miltenburg, et al., 1983Based on data from 250. to 269. K.; AC
17. ± 0.2263.MEBoyd, Guha, et al., 1967Based on data from 245. to 281. K. See also Cox and Pilcher, 1970.; AC

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:


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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
1.249 ± 0.087TDEqChowdhury and Kebarle, 1986ΔGea(523 K) = -28.4 kcal/mol; ΔSea = -1.0 eu.; B
0.79 ± 0.10SIFarragher and Page, 1967The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
11.16 ± 0.03PIKotov and Potapov, 1972LLK
11.15PEBock and Stafast, 1972LLK
11.3PEBieri, Asbrink, et al., 1982Vertical value; LBLHLM

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.

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]

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]

Bader, Buckley, et al., 1957
Bader, A.R.; Buckley, R.P.; Leavitt, F.; Szwarc, M., J. Am. Chem. Soc., 1957, 79, 5621. [all data]

de Wolf and Van de Straete, 1935
de Wolf, J.; Van de Straete, L., Maleonitrile and Fumaronitrole, Bull. Cl. Sci., Acad. R. Belg., 1935, 21, 216. [all data]

De Wit, Van Miltenburg, et al., 1983
De Wit, H.G.M.; Van Miltenburg, J.C.; De Kruif, C.G., Thermodynamic properties of molecular organic crystals containing nitrogen, oxygen, and sulphur 1. Vapour pressures and enthalpies of sublimation, The Journal of Chemical Thermodynamics, 1983, 15, 7, 651-663, https://doi.org/10.1016/0021-9614(83)90079-4 . [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

Chowdhury and Kebarle, 1986
Chowdhury, S.; Kebarle, P., Electron affinities of di- and tetracyanoethylene and cyanobenzenes based on measurements of gas-phase electron transfer equilibria, J. Am. Chem. Soc., 1986, 108, 5453. [all data]

Farragher and Page, 1967
Farragher, A.L.; Page, F.M., Experimental Determination of Electron Affinities. Part 11. - Electron Capture by Some Cyanocarbons and Related Compounds, Trans. Farad. Soc., 1967, 63, 2369, https://doi.org/10.1039/tf9676302369 . [all data]

Kotov and Potapov, 1972
Kotov, B.V.; Potapov, V.K., Ionization potentials of strong organic electron acceptors, Khim. Vys. Energ., 1972, 6, 375. [all data]

Bock and Stafast, 1972
Bock, H.; Stafast, H., Photoelektronenspektren und molekuleigenschaften, IX. Die π-Systeme der cis- und trans-dicyan-athylene, Chem. Ber., 1972, 105, 1158. [all data]

Bieri, Asbrink, et al., 1982
Bieri, G.; Asbrink, L.; Von Niessen, W., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1982, 27, 129. [all data]


Notes

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