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1,2-Butadiene

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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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas162.2 ± 0.59kJ/molCmProsen, Maron, et al., 1951ALS
Deltafgas165.4 ± 1.2kJ/molCcbProsen, Maron, et al., 1949ALS
Quantity Value Units Method Reference Comment
Deltacgas-2593.8 ± 0.54kJ/molCmProsen, Maron, et al., 1951Corresponding «DELTA»fgas = 162.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacgas-2597.0 ± 1.2kJ/molCcbProsen, Maron, et al., 1949Corresponding «DELTA»fgas = 165.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
35.8350.Thermodynamics Research Center, 1997Recommended values are in close agreement with those obtained from earlier statistical thermodynamics calculation [ Kilpatrick J.E., 1949].; GT
45.63100.
54.41150.
62.51200.
75.00273.15
79.48298.15
79.81300.
97.62400.
113.74500.
127.62600.
139.54700.
149.8800.
159.8900.
166.51000.
173.31100.
179.11200.
184.21300.
188.61400.
192.41500.

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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid206.19J/mol*KN/AAston and Szasz, 1947 

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
122.80290.Aston and Szasz, 1947T = 14 to 282 K.

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

C4H5- + Hydrogen cation = 1,2-Butadiene

By formula: C4H5- + H+ = C4H6

Quantity Value Units Method Reference Comment
Deltar1608. ± 8.8kJ/molG+TSN/Agas phase; Relative to dGacid(MeOH)= 375. Acid: MeCH=C=CH2; B
Quantity Value Units Method Reference Comment
Deltar1574. ± 8.4kJ/molIMREN/Agas phase; Relative to dGacid(MeOH)= 375. Acid: MeCH=C=CH2; B

1,2-Butadiene = 1,3-Butadiene

By formula: C4H6 = C4H6

Quantity Value Units Method Reference Comment
Deltar53.47 ± 0.67kJ/molCcbProsen, Maron, et al., 1949gas 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.

Prosen, Maron, et al., 1951
Prosen, E.J.; Maron, F.W.; Rossini, F.D., Heats of combustion, formation, and insomerization of ten C4 hydrocarbons, J. Res. NBS, 1951, 46, 106-112. [all data]

Prosen, Maron, et al., 1949
Prosen, E.J.; Maron, F.W.; Rossini, F.D., Heat of isomerization of the two butadienes, J. Res. NBS, 1949, 42, 269-275. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Kilpatrick J.E., 1949
Kilpatrick J.E., Heats, equilibrium constants, and free energies of formation of the C3 to C5 diolefins, styrene, and the methylstyrenes, J. Res. Nat. Bur. Stand., 1949, 42, 225-240. [all data]

Aston and Szasz, 1947
Aston, J.G.; Szasz, G.J., The thermodynamics of butadiene-1,2 from calorimetric and spectroscopic data, J. Am. Chem. Soc., 1947, 69, 3108-3114. [all data]


Notes

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