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

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
Tboil371. ± 2.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus163.64KN/AStreiff, Hulme, et al., 1955Uncertainty assigned by TRC = 0.02 K; TRC
Tfus163.64KN/AStreiff, Hulme, et al., 1955Uncertainty assigned by TRC = 0.02 K; TRC
Tfus163.67KN/AStreiff, Hulme, et al., 1955Uncertainty assigned by TRC = 0.01 K; TRC
Tfus163.640KN/AAnonymous, 1951Uncertainty assigned by TRC = 0.06 K; TRC
Tfus163.670KN/AAnonymous, 1951Uncertainty assigned by TRC = 0.04 K; TRC
Quantity Value Units Method Reference Comment
Δvap8.60kcal/molN/AReid, 1972AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
8.44329.AStephenson and Malanowski, 1987Based on data from 314. to 373. K.; AC
8.27346.N/AEisen and Orav, 1970Based on data from 331. to 370. 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 + 2-Heptene, (E)- = Heptane

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Δr-27.3 ± 0.1kcal/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone

(Z)-2-Heptene = 2-Heptene, (E)-

By formula: C7H14 = C7H14

Quantity Value Units Method Reference Comment
Δr-1.kcal/molCisoStrohmeier and Rehder-Stirnweiss, 1970liquid phase; Isomerization over RhH(CO)(PPh3)3

1-Heptene = 2-Heptene, (E)-

By formula: C7H14 = C7H14

Quantity Value Units Method Reference Comment
Δr-2.39 ± 0.05kcal/molEqkKabo, Andreevskii, et al., 1967gas phase; Heat of isomerization

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference
0.0024 LN/A
0.0025 VN/A

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-3427
NIST MS number 227870

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Mass spectrum (electron ionization), 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]

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]

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, 1951
Anonymous, R., , Sunbury Rep. No. 4199, Anglo-Iranian Oil Co., 1951. [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]

Eisen and Orav, 1970
Eisen, O.; Orav, A., Eesti NSV Tead. Akad. Toim. Keem. Geol., 1970, 19, 3, 202. [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]

Strohmeier and Rehder-Stirnweiss, 1970
Strohmeier, W.; Rehder-Stirnweiss, W., Isomerization of heptene over RhH(CO)(PPh3)3, J. Organomet. Chem., 1970, 22, 27-28. [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]


Notes

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