2,3-Diazabicyclo[2.2.2]oct-2-ene,2-oxide

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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
Δfgas92.4 ± 1.8kJ/molCcbBystrom, 1983 

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus437.9KN/AByström, 1980Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
5.020359.2crystaline, IIIcrystaline, IIBystroem, 1980DH
8.050399.3crystaline, IIcrystaline, IBystroem, 1980DH
3.840437.9crystaline, IliquidBystroem, 1980DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
14.0359.2crystaline, IIIcrystaline, IIBystroem, 1980DH
20.2399.3crystaline, IIcrystaline, IBystroem, 1980DH
8.77437.9crystaline, IliquidBystroem, 1980DH

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
9.30 ± 0.03PEBunzli, Olsen, et al., 1977Vertical value; LLK

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.

Bystrom, 1983
Bystrom, K., Molecular mechanics studies of enthalpies of formation and strain energies of azoxyalkanes, J. Comput. Chem., 1983, 4, 308-312. [all data]

Byström, 1980
Byström, Katarina, Solid--solid phase transitions in azoxy compounds, J. Chem. Soc., Faraday Trans. 1, 1980, 76, 0, 1986, https://doi.org/10.1039/f19807601986 . [all data]

Bystroem, 1980
Bystroem, K., Solid-solid phase transitions in azoxy compounds, J. Chem. Soc., Faraday Trans., 1980, 1 76(9), 1986-1990. [all data]

Bunzli, Olsen, et al., 1977
Bunzli, J.-C.G.; Olsen, H.; Snyder, J.P., Photoelectron spectra of bicyclic azo N-oxides and azo N, N'-dioxides, J. Org. Chem., 1977, 42, 614. [all data]


Notes

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