Acetic anhydride

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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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
gas389.95J/mol*KN/AStull D.R., 1969 

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
99.50298.15Stull D.R., 1969Selected values were based on an approximation of heat capacities from Cp(T) values of acetic acid.
100.04300.
129.12400.
153.89500.
174.14600.
191.38700.
204.64800.
216.06900.
226.401000.

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
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C4H6O3+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
~10.0PEBock, Hirabayashi, et al., 1981LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H3O+10.14CH3COOPITraeger, McLouglin, et al., 1982LBLHLM
C2H3O+10.19 ± 0.02?PIShigorin, Filyugina, et al., 1967RDSH
C2H4O2+9.65 ± 0.02CH2=CO?PIShigorin, Filyugina, et al., 1967RDSH
C3H3O3+10.14 ± 0.02CH3PIShigorin, Filyugina, et al., 1967RDSH

Ion clustering 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: Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Sodium ion (1+) + Acetic anhydride = (Sodium ion (1+) • Acetic anhydride)

By formula: Na+ + C4H6O3 = (Na+ • C4H6O3)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
130.298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Notes

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

Stull D.R., 1969
Stull D.R., Jr., The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]

Bock, Hirabayashi, et al., 1981
Bock, H.; Hirabayashi, T.; Mohmand, S., Thermische erzeugung von alkyl- und halogenketenen, Chem. Ber., 1981, 114, 2595. [all data]

Traeger, McLouglin, et al., 1982
Traeger, J.C.; McLouglin, R.G.; Nicholson, A.J.C., Heat of formation for acetyl cation in the gas phase, J. Am. Chem. Soc., 1982, 104, 5318. [all data]

Shigorin, Filyugina, et al., 1967
Shigorin, D.N.; Filyugina, A.D.; Potapov, V.K., Role of intramolecular hydrogen bonding in the ionisation and dissociation of compounds, Zh. Fiz. Khim., 1967, 41, 2336, In original 1255. [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]


Notes

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