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Propanal, 2-methyl-

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas-215.8 ± 1.5kJ/molCmWiberg, Crocker, et al., 1991ALS
Deltafgas-216.4kJ/molN/AGubareva and Gerasimov, 1990Value computed using «DELTA»fHliquid° value of -247.9±0.7 kj/mol from Gubareva and Gerasimov, 1990 and «DELTA»vapH° value of 31.5 kj/mol from Connett, 1975.; DRB
Deltafgas-215.7 ± 1.3kJ/molEqkConnett, 1975Heat of dehydrogenation; ALS
Deltafgas-218.kJ/molCcbTjebbes, 1962ALS

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-247.3 ± 0.92kJ/molCmWiberg, Crocker, et al., 1991 
Deltafliquid-247.9 ± 0.7kJ/molCcbGubareva and Gerasimov, 1990 
Deltafliquid-247.2 ± 1.3kJ/molEqkConnett, 1975Heat of dehydrogenation
Deltafliquid-250.2 ± 0.75kJ/molCcbTjebbes, 1962 
Quantity Value Units Method Reference Comment
Deltacliquid-2469.4 ± 0.7kJ/molCcbGubareva and Gerasimov, 1990Corresponding «DELTA»fliquid = -248.0 kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-2467.2 ± 0.75kJ/molCcbTjebbes, 1962Corresponding «DELTA»fliquid = -250.2 kJ/mol (simple calculation by NIST; no Washburn corrections)

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 as indicated in comments:
B - John E. Bartmess
ALS - 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

C4H7O- + Hydrogen cation = Propanal, 2-methyl-

By formula: C4H7O- + H+ = C4H8O

Quantity Value Units Method Reference Comment
Deltar1535. ± 13.kJ/molD-EAAlconcel, Deyerl, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Deltar1504. ± 13.kJ/molH-TSAlconcel, Deyerl, et al., 2001gas phase; B

Hydrogen + Propanal, 2-methyl- = 1-Propanol, 2-methyl-

By formula: H2 + C4H8O = C4H10O

Quantity Value Units Method Reference Comment
Deltar-87.4 ± 0.3kJ/molCmWiberg, Crocker, et al., 1991liquid phase; ALS
Deltar-68.1 ± 0.9kJ/molEqkConnett, 1975gas phase; Heat of dehydrogenation; ALS

(CAS Reg. No. 35730-34-8 bullet 4294967295Propanal, 2-methyl-) + Propanal, 2-methyl- = CAS Reg. No. 35730-34-8

By formula: (CAS Reg. No. 35730-34-8 bullet 4294967295C4H8O) + C4H8O = CAS Reg. No. 35730-34-8

Quantity Value Units Method Reference Comment
Deltar176. ± 9.2kJ/molN/ABartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

1-Propanol, 2-methyl- = Hydrogen + Propanal, 2-methyl-

By formula: C4H10O = H2 + C4H8O

Quantity Value Units Method Reference Comment
Deltar68.1 ± 0.9kJ/molEqkConnett, 1975gas phase; Heat of dehydrogenation; ALS

Propane, 1,1-dimethoxy-2-methyl- + Water = 2Methyl Alcohol + Propanal, 2-methyl-

By formula: C6H14O2 + H2O = 2CH4O + C4H8O

Quantity Value Units Method Reference Comment
Deltar36.39 ± 0.067kJ/molEqkWiberg and Squires, 1981liquid phase; ALS

Water + Propanal, 2-methyl- = 1,1-Propanediol, 2-methyl-

By formula: H2O + C4H8O = C4H10O2

Quantity Value Units Method Reference Comment
Deltar-23.kJ/molEqkGreen and Hine, 1973liquid phase; ALS

3Propanal, 2-methyl- = 1,3,5-Trioxane, 2,4,6-tripropyl-

By formula: 3C4H8O = C12H24O3

Quantity Value Units Method Reference Comment
Deltar-28.47kJ/molEqkOgorodnikov, Katsnel'son, et al., 1990liquid phase; PMR; ALS

Isobutylene epoxide = Propanal, 2-methyl-

By formula: C4H8O = C4H8O

Quantity Value Units Method Reference Comment
Deltar-86.19kJ/molKinFarberov, Bondarenko, et al., 1984liquid phase; ALS

References

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

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

Wiberg, Crocker, et al., 1991
Wiberg, K.B.; Crocker, L.S.; Morgan, K.M., Thermochemical studies of carbonyl compounds. 5. Enthalpies of reduction of carbonyl groups, J. Am. Chem. Soc., 1991, 113, 3447-3450. [all data]

Gubareva and Gerasimov, 1990
Gubareva, A.I.; Gerasimov, P.A., Physicochemical properties of isobutyraldehyde, J. Appl. Chem. USSR, 1990, 63, 844-846. [all data]

Connett, 1975
Connett, J.E., Chemical equilibria 6. Measurement of equilibrium constants for the dehydrogenation of 2-methylpropan-1-ol by a vapour-flow technique, J. Chem. Thermodyn., 1975, 7, 1159-1162. [all data]

Tjebbes, 1962
Tjebbes, J., Heats of combustion of propanal and 2-methyl propanal, Acta Chem. Scand., 1962, 16, 953-857. [all data]

Alconcel, Deyerl, et al., 2001
Alconcel, L.S.; Deyerl, H.J.; Continetti, R.E., Effects of alkyl substitution on the energetics of enolate anions and radicals, J. Am. Chem. Soc., 2001, 123, 50, 12675-12681, https://doi.org/10.1021/ja0120431 . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Wiberg and Squires, 1981
Wiberg, K.B.; Squires, R.R., Thermochemical studies of carbonyl reactions. 2. Steric effects in acetal and ketal hydrolysis, J. Am. Chem. Soc., 1981, 103, 4473-4478. [all data]

Green and Hine, 1973
Green, L.R.; Hine, J., Isobutyraldehyde. The kinetics of acid- and base-catalyzed equilibrations in water, J. Org. Chem., 1973, 38, 2801-28. [all data]

Ogorodnikov, Katsnel'son, et al., 1990
Ogorodnikov, A.L.; Katsnel'son, M.G.; Pinson, V.V.; Levin, Yu.V., Study of thermodynamic characteristics of a butyraldehyde-cyclic trimer system, Zh. Prikl. Khim. (Leningrad), 1990, 63, 1340-1343. [all data]

Farberov, Bondarenko, et al., 1984
Farberov, M.I.; Bondarenko, A.V.; Tsilyurik, T.V.; Srednev, S.S.; Shutova, I.A., Epoxidation of isobutene with organic hydroperoxides, and certain syntheses on this basis, J. Anal. Chem. USSR, 1984, 57, 1915-1919. [all data]


Notes

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