1-iodoacetone


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-31.2 ± 1.2kcal/molEqkSolly, Golden, et al., 1970Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -31.0 ± 1.5 kcal/mol

Reaction 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

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Individual Reactions

Acetone + Iodine = Hydrogen iodide + 1-iodoacetone

By formula: C3H6O + I2 = HI + C3H5IO

Quantity Value Units Method Reference Comment
Δr12.1 ± 1.2kcal/molEqkSolly, Golden, et al., 1970gas phase

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

Ionization energy determinations

IE (eV) Method Reference Comment
9.3PEOlivato, Guerrero, et al., 1984LBLHLM
9.53PEOlivato, Guerrero, et al., 1984Vertical 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.

Solly, Golden, et al., 1970
Solly, R.K.; Golden, D.M.; Benson, S.W., Thermochemical properties of iodoacetone. Intramolecular electrostatic interactions in polar molecules, J. Am. Chem. Soc., 1970, 92, 4653-4656. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Olivato, Guerrero, et al., 1984
Olivato, P.R.; Guerrero, S.A.; Modelli, A.; Granozzi, G.; Jones, D.; Distefano, G., Electronic interaction in heterosubstituted acetones studied by means of ultraviolet photoelectron and electron transmission spectroscopy, J. Chem. Soc. Perkin Trans. 2, 1984, 1505. [all data]


Notes

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