3-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-17.5kcal/molN/AWiberg, Wasserman, et al., 1984Value computed using ΔfHliquid° value of -108.4±0.63 kj/mol from Wiberg, Wasserman, et al., 1984 and ΔvapH° value of 35.2 kj/mol from alkenes correlation.
Δfgas-17.4 ± 0.2kcal/molEqkWiberg, Wasserman, et al., 1984Value computed using ΔfHliquid° from Wiberg, Wasserman, et al., 1984 and ΔvapH° value of 8.56 kcal/mol from Steele and Chirico, 1993.
Δfgas-17.7kcal/molN/AGood, 1976Value computed using ΔfHliquid° value of -109.3±1 kj/mol from Good, 1976 and ΔvapH° value of 35.2 kj/mol from alkenes correlation.
Δfgas-17.6 ± 0.24kcal/molCcbGood, 1976Value computed using ΔfHliquid° from Good, 1976 and ΔvapH° value of 8.56 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid-25.92 ± 0.15kcal/molEqkWiberg, Wasserman, et al., 1984Trifluoroacetolysis, hrxn[kcal/mol]=-9.21±0.03
Δfliquid-26.13 ± 0.24kcal/molCcbGood, 1976 
Quantity Value Units Method Reference Comment
Δcliquid-1110.43 ± 0.22kcal/molCcbGood, 1976Corresponding Δfliquid = -26.13 kcal/mol (simple calculation by NIST; no Washburn corrections)

Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil369. ± 1.KAVGN/AAverage of 20 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus136.49KN/AStreiff, Hulme, et al., 1955Uncertainty assigned by TRC = 0.06 K; TRC
Tfus136.49KN/AStreiff, Hulme, et al., 1955Uncertainty assigned by TRC = 0.06 K; TRC
Tfus136.52KN/AStreiff, Hulme, et al., 1955Uncertainty assigned by TRC = 0.04 K; TRC
Tfus136.49KN/AAnonymous, 1952Uncertainty assigned by TRC = 0.06 K; TRC
Tfus136.52KN/AAnonymous, 1952Uncertainty assigned by TRC = 0.04 K; TRC
Quantity Value Units Method Reference Comment
Δvap8.51kcal/molN/AReid, 1972AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
8.27327.AStephenson and Malanowski, 1987Based on data from 312. to 368. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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: 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

Hydrogen + 3-Heptene, (E)- = Heptane

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Δr-27.41 ± 0.07kcal/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone

1-Heptene = 3-Heptene, (E)-

By formula: C7H14 = C7H14

Quantity Value Units Method Reference Comment
Δr-2.60 ± 0.09kcal/molEqkKabo, Andreevskii, et al., 1967gas phase; Heat of isomerization

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 compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference
8.92EIHolmes, Fingas, et al., 1981

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Notes

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]

Streiff, Hulme, et al., 1955
Streiff, A.J.; Hulme, A.R.; Cowie, P.A.; Krouskop, N.C.; Rossini, F.D., Purification, Purity, and Freezing Points of Sixty-four American Petroleum Institute Standard and Research Hydrocarbons, Anal. Chem., 1955, 27, 411. [all data]

Anonymous, 1952
Anonymous, R., , Physical Properties of Chemical Substances, Dow Chemical Co., 1952. [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Rogers and Dejroongruang, 1988
Rogers, D.W.; Dejroongruang, K., Enthalpies of hydrogenation of the n-heptenes and the methylhexenes, J. Chem. Thermodyn., 1988, 20, 675-680. [all data]

Kabo, Andreevskii, et al., 1967
Kabo, G.Ya.; Andreevskii, D.N.; Savinetskaya, G.A., Isomerization equilibrium of n-monochloroheptanes and n-heptenes, Neftekhimiya, 1967, 7, 364-368. [all data]

Holmes, Fingas, et al., 1981
Holmes, J.L.; Fingas, M.; Lossing, F.P., Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part I. Odd-electron cations, Can. J. Chem., 1981, 59, 80. [all data]


Notes

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