1,1,1-Ethanetricarbonitrile

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas100.97 ± 0.27kcal/molCcrRakus, Verevkin, et al., 1994ALS
Δfgas102.0kcal/molN/AFrankel, Amster, et al., 1966Value computed using ΔfHsolid° value of 353.0±5.0 kj/mol from Frankel, Amster, et al., 1966 and ΔsubH° value of 73.9 kj/mol from Rakus, Verevkin, et al., 1994.; DRB

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:
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
Δsub17.66 ± 0.11kcal/molVRakus, Verevkin, et al., 1994ALS
Δsub17.7kcal/molN/ARakus, Verevkin, et al., 1994DRB

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
13.2293. to 333.BRakus, Verevkin, et al., 1994AC

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
17.7 ± 0.1313.TRakus, Verevkin, et al., 1994Based on data from 293. to 333. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
4.47367.2Rakus, Verevkin, et al., 1994AC

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.

Rakus, Verevkin, et al., 1994
Rakus, K.; Verevkin, S.P.; Beckhaus, H.-D.; Rchardt, C., Thermochemistry and thermal decomposition of alkyl-substituted tricyanomethyl compounds, Chem. Ber., 1994, 127, 2225-2234. [all data]

Frankel, Amster, et al., 1966
Frankel, M.B.; Amster, A.B.; Wilson, E.R.; McCormick, M.; McEachern, M., Jr., Synthesis and thermochemistry of tricyanomethyl and other polycyano compounds, Adv. Chem. Ser., 1966, 108-117. [all data]


Notes

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