Methanone, phenyl[2,4,6-tris(methylethyl)phenyl]-

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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-45. ± 2.kcal/molCcbInagaki, Murata, et al., 1982 

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-72.80 ± 0.81kcal/molCcbInagaki, Murata, et al., 1982 
Quantity Value Units Method Reference Comment
Δcsolid-2952.75 ± 0.43kcal/molCcbInagaki, Murata, et al., 1982Corresponding Δfsolid = -72.78 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
Δsub28. ± 2.kcal/molVInagaki, Murata, et al., 1982ALS
Δsub27.63kcal/molN/AInagaki, Murata, et al., 1982DRB
Δsub28. ± 2.kcal/molCInagaki, Murata, et al., 1982, 2Based on data from 353. to 364. K.; AC

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
7.9PECentineo, Fragala, et al., 1978LLK
8.18PECentineo, Fragala, et al., 1978Vertical 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.

Inagaki, Murata, et al., 1982
Inagaki, S.; Murata, S.; Sakiyama, M.; Ito, Y.; Umihara, Y.; Hijiya, T.; Matsura, T., Bull. Chem. Soc. Jpn., 1982, 55, 2803. [all data]

Inagaki, Murata, et al., 1982, 2
Inagaki, Sadayasu; Murata, Shigeo; Sakiyama, Minoru; Ito, Yoshikatsu; Umehara, Yasutoshi; Hijiya, Toyoto; Matsuura, Teruo, Thermochemical studies on 2,4,6-triisopropylbenzophenone and its photo-isomer, 3',5'-diisopropyl-4,4-dimethyl-3-phenyl-1,2-benzocyclobuten-3-ol. Evaluation of magnitude of light energy stored in the latter molecule., Bull. Chem. Soc. Jpn., 1982, 55, 9, 2803-2807, https://doi.org/10.1246/bcsj.55.2803 . [all data]

Centineo, Fragala, et al., 1978
Centineo, G.; Fragala, I.; Bruno, G.; Spampinato, S., Photoelectron spectroscopy of benzophenone, acetophenone and their ortho-alkyl derivatives, J. Mol. Struct., 1978, 44, 203. [all data]


Notes

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