Methacrolein

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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

C4H5O- + Hydrogen cation = Methacrolein

By formula: C4H5O- + H+ = C4H6O

Quantity Value Units Method Reference Comment
Δr1576. ± 13.kJ/molG+TSKleingeld and Nibbering, 1984gas phase; Acid: 2-methylpropenal. Reprotonation to dimethyl ketene? G3MP2B3 calculations indicate a dHacid of 396 kcal/mol
Quantity Value Units Method Reference Comment
Δr1544. ± 13.kJ/molIMRBKleingeld and Nibbering, 1984gas phase; Acid: 2-methylpropenal. Reprotonation to dimethyl ketene? G3MP2B3 calculations indicate a dHacid of 396 kcal/mol

C4H5O- + Hydrogen cation = Methacrolein

By formula: C4H5O- + H+ = C4H6O

Quantity Value Units Method Reference Comment
Δr1578. ± 13.kJ/molG+TSBartmess and Burnham, 1984gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr1549. ± 13.kJ/molIMRBBartmess and Burnham, 1984gas phase; value altered from reference due to change in acidity scale
Δr1544. ± 13.kJ/molIMRBKleingeld and Nibbering, 1984gas phase

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.

Kleingeld and Nibbering, 1984
Kleingeld, J.C.; Nibbering, N.M.M., Negative Ion/Molecule Cycloaddition Reactions of 2-Methylpropenal in the Gas Phase, Recl. Trav. Chim. Pays-Bas, 1984, 103, 3, 87, https://doi.org/10.1002/recl.19841030303 . [all data]

Bartmess and Burnham, 1984
Bartmess, J.E.; Burnham, R., Effect of central substituents on the gas phase acidities of propenes, J. Org. Chem., 1984, 49, 1382. [all data]


Notes

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