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Acetyl iodide

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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
Deltafgas-29.88 ± 0.85kcal/molCmDevore and O'Neal, 1969Reanalyzed by Cox and Pilcher, 1970, Original value = -30.92 ± 0.39 kcal/mol; Heat of hydrolysis
Deltafgas-30.3 ± 0.5kcal/molEqkWalsh and Benson, 1966 
Deltafgas-31.8kcal/molCmCarson and Skinner, 1949Heat of hydrolysis

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
Deltafliquid-38.79 ± 0.21kcal/molCmDevore and O'Neal, 1969Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -39.21 ± 0.05 kcal/mol; Heat of hydrolysis
Deltafliquid-39.75 ± 0.04kcal/molEqkWalsh and Benson, 1966 
Deltafliquid-39.75 ± 0.07kcal/molCmCarson and Skinner, 1949Heat of hydrolysis

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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil381.2KN/AWeast and Grasselli, 1989BS
Tboil381.KN/AAmerican Tokyo Kasei, 1988BS
Tboil381.KN/ABuckingham and Donaghy, 1982BS
Tboil378.KN/AYamase, 1961Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Deltavap9.20 ± 0.80kcal/molVDevore and O'Neal, 1969Reanalyzed by Cox and Pilcher, 1970, Original value = 8.29 ± 0.12 kcal/mol; Heat of hydrolysis; ALS
Deltavap7.9kcal/molECarson and Skinner, 1949Heat of hydrolysis; ALS

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
309.20.066Weast and Grasselli, 1989BS
309.0.066Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
8.87289.AStephenson and Malanowski, 1987Based on data from 276. - 302. K. See also Devore and O'Neal, 1969.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
276.63 - 301.40.99588285.338-177.532Devore and O'Neal, 1969Coefficents calculated by NIST from author's data.

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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes

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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Acetyl iodide + Water = Hydrogen iodide + Acetic acid

By formula: C2H3IO + H2O = HI + C2H4O2

Quantity Value Units Method Reference Comment
Deltar-22.46kcal/molCmDevore and O'Neal, 1969liquid phase; Heat of hydrolysis
Deltar-21.59kcal/molCmCarson and Skinner, 1949liquid phase; Heat of hydrolysis

Acetaldehyde + Iodine = Hydrogen iodide + Acetyl iodide

By formula: C2H4O + I2 = HI + C2H3IO

Quantity Value Units Method Reference Comment
Deltar0.7 ± 0.5kcal/molEqkWalsh and Benson, 1966gas phase

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References, Notes

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

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-IW-5817
NIST MS number 230508

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Notes

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

Devore and O'Neal, 1969
Devore, J.A.; O'Neal, H.E., Heats of formation of the acetyl halides and of the acetyl radical, J. Phys. Chem., 1969, 73, 2644-2648. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Walsh and Benson, 1966
Walsh, R.; Benson, S.W., The heats of formation of acetyl iodide and the acetyl radical, J. Phys. Chem., 1966, 70, 3751-3753. [all data]

Carson and Skinner, 1949
Carson, A.S.; Skinner, H.A., 201. Carbon-halogen bond energies in the acetyl halides, J. Chem. Soc., 1949, 936-939. [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]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

American Tokyo Kasei, 1988
American Tokyo Kasei, TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Yamase, 1961
Yamase, Y., Friedel-Crafts Acylation II. Relative Reactivity for Some Acyl Halides, Bull. Chem. Soc. Jpn., 1961, 34, 480-84. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References