2-Heptene, (E)-

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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 by: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas-17.7kcal/molN/AWiberg, Wasserman, et al., 1984Value computed using ΔfHliquid° value of -109.4±0.63 kj/mol from Wiberg, Wasserman, et al., 1984 and ΔvapH° value of 35.2 kj/mol from alkenes correlation.
Δfgas-17.5 ± 0.2kcal/molEqkWiberg, Wasserman, et al., 1984Value computed using ΔfHliquid° from Wiberg, Wasserman, et al., 1984 and ΔvapH° value of 8.68 kcal/mol from Steele and Chirico, 1993.
Δfgas-17.8kcal/molN/AGood, 1976Value computed using ΔfHliquid° value of -109.5±0.84 kj/mol from Good, 1976 and ΔvapH° value of 35.2 kj/mol from alkenes correlation.
Δfgas-17.5 ± 0.2kcal/molCcbGood, 1976Value computed using ΔfHliquid° from Good, 1976 and ΔvapH° value of 8.68 kcal/mol from Steele and Chirico, 1993.
Δfgas-18.0 ± 0.2kcal/molCmCoops, Mulder, et al., 1946Value computed using ΔfHliquid° from Coops, Mulder, et al., 1946 and ΔvapH° value of 8.68 kcal/mol from Steele and Chirico, 1993.

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 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
Δfliquid-26.15 ± 0.15kcal/molEqkWiberg, Wasserman, et al., 1984Trifluoroacetolysis, hrxn[kcal/mol]=-9.00±0.02; ALS
Δfliquid-26.18 ± 0.20kcal/molCcbGood, 1976ALS
Δfliquid-26.7 ± 0.2kcal/molCmCoops, Mulder, et al., 1946DRB
Quantity Value Units Method Reference Comment
Δcliquid-1110.38 ± 0.18kcal/molCcbGood, 1976Corresponding Δfliquid = -26.18 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-1109.87 ± 0.17kcal/molCmCoops, Mulder, et al., 1946Corresponding Δfliquid = -26.69 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

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.

Wiberg, Wasserman, et al., 1984
Wiberg, K.B.; Wasserman, D.J.; Martin, E., Enthalpies of hydration of alkenes. 2. The n-heptenes and n-pentenes, J. Phys. Chem., 1984, 88, 3684-3688. [all data]

Steele and Chirico, 1993
Steele, W.V.; Chirico, R.D., Thermodynamic properties of alkenes (mono-olefins larger than C4), J. Phys. Chem. Ref. Data, 1993, 22, 377-430. [all data]

Good, 1976
Good, W.D., The enthalpies of formation of five isomeric heptenes, J. Chem. Thermodyn., 1976, 8, 67-71. [all data]

Coops, Mulder, et al., 1946
Coops, J.; Mulder, D.; Dienske, J.W.; Smittenberg, J., The heats of combustion of a number of hydrocarbons, Rec. Trav. Chim. Pays/Bas, 1946, 65, 128. [all data]


Notes

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