Benzaldehyde, 4-(dimethylamino)-

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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
Δfsolid-137.kJ/molCcbZavoianu, Contineanu, et al., 1986 
Quantity Value Units Method Reference Comment
Δcsolid-4977.kJ/molCcbZavoianu, Contineanu, et al., 1986 
Δcsolid-4976.03 ± 0.84kJ/molCcbYoung, Keith, et al., 1956Reanalyzed by Cox and Pilcher, 1970, Original value = -4974.8 ± 0.8 kJ/mol; see Dzombak, 1956

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
IE (evaluated)7.3 ± 0.1eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)924.8kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity898.3kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
7.3 ± 0.1PEEgdell, Green, et al., 1975LLK
7.36 ± 0.02PIPotapov and Iskakov, 1971LLK
7.81PEGal, Geribaldi, et al., 1985Vertical 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.

Zavoianu, Contineanu, et al., 1986
Zavoianu, D.; Contineanu, I.; Moga-Gheorghe, S.; Marchidan, D., Structure and reactivity of nitriles. Condensation reaction of phenylacetonitrile with benzaldehydes, Rev. Chim. (Bucharest), 1986, 37, 1055-1058. [all data]

Young, Keith, et al., 1956
Young, J.A.; Keith, J.E.; Stehle, P.; Dzombak, W.C.; Hunt, H., Heats of combustion of some organic nitrogen compounds, Ind. Eng. Chem., 1956, 48, 1375-1378. [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]

Dzombak, 1956
Dzombak, W.C., The heats of combustion of some amides and amines, Dissertation Abstr,, 1956, 22-23. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Egdell, Green, et al., 1975
Egdell, R.; Green, J.C.; Rao, C.N.R., Photoelectron spectra of substituted benzenes, Chem. Phys. Lett., 1975, 33, 600. [all data]

Potapov and Iskakov, 1971
Potapov, V.K.; Iskakov, L.I., Electronic structure and photoionization of aromatic amines, High Energy Chem., 1971, 5, 237, In original 264. [all data]

Gal, Geribaldi, et al., 1985
Gal, J.-F.; Geribaldi, S.; Pfister-Guillouzo, G.; Morris, D.G., Basicity of the carbonyl group. Part 12. Correlations between ionization potentials and lewis basicities in aromatic carbonyl compounds, J. Chem. Soc. Perkin Trans. 2, 1985, 103. [all data]


Notes

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