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Acetonitrile, fluoro-


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
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil352.7KN/AAldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
9.11288.A,GSStephenson and Malanowski, 1987Based on data from 273. - 333. K. See also Redemann, Chaikin, et al., 1948 and Dykyj, 1970.; AC

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: John E. Bartmess

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Individual Reactions

C2HFN- + Hydrogen cation = Acetonitrile, fluoro-

By formula: C2HFN- + H+ = C2H2FN

Quantity Value Units Method Reference Comment
Deltar369.1 ± 2.1kcal/molG+TSTaft, 1987gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Deltar361.5 ± 2.0kcal/molIMRETaft, 1987gas phase; value altered from reference due to change in acidity scale

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:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
12.81PEMolder, Pikver, et al., 1983Vertical value; LBLHLM
12.67PEBotter, Gounelle, et al., 1977Vertical value; LLK

De-protonation reactions

C2HFN- + Hydrogen cation = Acetonitrile, fluoro-

By formula: C2HFN- + H+ = C2H2FN

Quantity Value Units Method Reference Comment
Deltar369.1 ± 2.1kcal/molG+TSTaft, 1987gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar361.5 ± 2.0kcal/molIMRETaft, 1987gas phase; value altered from reference due to change in acidity scale; B

References

Go To: Top, Phase change data, Reaction thermochemistry 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.

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]

Redemann, Chaikin, et al., 1948
Redemann, C. Ernst; Chaikin, Saul W.; Fearing, Ralph B.; Rotariu, George J.; Savit, Joseph; Hoesen, Drusilla van, The Vapor Pressures of Forty-one Fluorine-containing Organic Compounds 1, J. Am. Chem. Soc., 1948, 70, 11, 3604-3606, https://doi.org/10.1021/ja01191a017 . [all data]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Taft, 1987
Taft, R.W., The Nature and Analysis of Substitutent Electronic Effects, Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [all data]

Molder, Pikver, et al., 1983
Molder, U.H.; Pikver, R.J.; Koppel, I.A., Photoelectron spectra of molecules. 3. Nitriles, Org. React. Tartu, 1983, 20, 230. [all data]

Botter, Gounelle, et al., 1977
Botter, R.; Gounelle, Y.; Henry, Y.; Jullien, J.; Menes, F.; Solgadi, D., Photoelectron spectra of halogeno-3-propynes (XCH2«equiv»CH) and halogeno- methylcyanides (XCH2C«equiv»N) and comments on the attribution of fluorine IP, J. Electron Spectrosc. Relat. Phenom., 1977, 10, 393. [all data]


Notes

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