2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-dimethyl-

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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
Δfgas-133.88 ± 0.16kcal/molCcbRakus, Verevkin, et al., 1995 

Condensed 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
Δfsolid-151.54 ± 0.14kcal/molCcbRakus, Verevkin, et al., 1995 
Quantity Value Units Method Reference Comment
Δcsolid-916.70 ± 0.14kcal/molCcbRakus, Verevkin, et al., 1995Corresponding Δfsolid = -151.54 kcal/mol (simple calculation by NIST; no Washburn corrections)

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub17.66 ± 0.031kcal/molVRakus, Verevkin, et al., 1995ALS
Δsub17.7kcal/molN/ARakus, Verevkin, et al., 1995DRB
Δsub17.9kcal/molN/ARakus, Verevkin, et al., 1995AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
4.30370.2Rakus, Verevkin, et al., 1995AC

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

Ionization energy determinations

IE (eV) Method Reference Comment
9.0PECowley, Goodman, et al., 1977 
9.45PECowley, Goodman, et al., 1977Vertical value

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes

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

Rakus, Verevkin, et al., 1995
Rakus, K.; Verevkin, S.P.; Peng, W.-H.; Beckhaus, H.D.; Ruchardt, C., The anomeric effect in orthoesters - the concept of geminal pairwise interactions for the interpretation of standard enthalpies of formation, Liebigs Ann., 1995, 2059-2067. [all data]

Cowley, Goodman, et al., 1977
Cowley, A.H.; Goodman, D.W.; Kuebler, N.A.; Sanchez, M.; Verkade, J.G., Molecular photoelectron spectroscopic investigation of some caged phosphorus compounds and related acyclic species, Inorg. Chem., 1977, 16, 854. [all data]


Notes

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