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1-Heptene

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

Quantity Value Units Method Reference Comment
Deltafgas-63.0kJ/molN/AWiberg, Wasserman, et al., 1984Value computed using «DELTA»fHliquid° value of -97.7±0.6 kj/mol from Wiberg, Wasserman, et al., 1984 and «DELTA»vapH° value of 34.7 kj/mol from Rockenfeller and Rossini, 1961.; DRB
Deltafgas-63.7kJ/molN/AGood, 1976Value computed using «DELTA»fHliquid° value of -98.4±0.9 kj/mol from Good, 1976 and «DELTA»vapH° value of 34.7 kj/mol from Rockenfeller and Rossini, 1961.; DRB
Deltafgas-62.30kJ/molCcbRockenfeller and Rossini, 1961ALS

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-97.70 ± 0.63kJ/molEqkWiberg, Wasserman, et al., 1984Trifluoroacetolysis, hrxn[kcal/mol]=-11.808±0.015; ALS
Deltafliquid-98.37 ± 0.88kJ/molCcbGood, 1976ALS
Deltafliquid-97.0 ± 1.2kJ/molCcbRockenfeller and Rossini, 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -97.95 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4657.00 ± 0.75kJ/molCcbGood, 1976Corresponding «DELTA»fliquid = -98.37 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4658.3 ± 1.2kJ/molCcbRockenfeller and Rossini, 1961Corresponding «DELTA»fliquid = -97.03 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4650.98 ± 0.79kJ/molCcbCoops, Mulder, et al., 1947Reanalyzed by Cox and Pilcher, 1970, Original value = -4642. ± 4. kJ/mol; See Coops, Mulder, et al., 1946; Corresponding «DELTA»fliquid = -104.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid327.65J/mol*KN/AMcCullough, Finke, et al., 1957DH
liquid328.9J/mol*KN/AParks, Todd, et al., 1936Extrapolation below 80 K, 58.58 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
211.79298.15McCullough, Finke, et al., 1957T = 11 to 360 K.; DH
212.84295.1Parks, Todd, et al., 1936T = 80 to 295 K. Value is unsmoothed experimental datum.; DH

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 + 1-Heptene = Heptane

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-125. ± 2.kJ/molAVGN/AAverage of 6 values; Individual data points

2-Heptanol = 1-Heptene + Water

By formula: C7H16O = C7H14 + H2O

Quantity Value Units Method Reference Comment
Deltar33.4 ± 0.2kJ/molCmWiberg, Wasserman, et al., 1984liquid phase; Heat of hydration

3-Heptanol = 1-Heptene + Water

By formula: C7H16O = C7H14 + H2O

Quantity Value Units Method Reference Comment
Deltar33.2 ± 0.2kJ/molCmWiberg, Wasserman, et al., 1984liquid phase; Heat of hydration

4-Heptanol = 1-Heptene + Water

By formula: C7H16O = C7H14 + H2O

Quantity Value Units Method Reference Comment
Deltar32.8 ± 0.2kJ/molCmWiberg, Wasserman, et al., 1984liquid phase; Heat of hydration

1-Heptene + Bromine = C7H14Br2

By formula: C7H14 + Br2 = C7H14Br2

Quantity Value Units Method Reference Comment
Deltar-126.5kJ/molCmLister, 1941gas phase; Heat of bromination at 300 K

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

By formula: C7H14 = C7H14

Quantity Value Units Method Reference Comment
Deltar-10.9 ± 0.4kJ/molEqkKabo, Andreevskii, et al., 1967gas phase; Heat of isomerization

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

By formula: C7H14 = C7H14

Quantity Value Units Method Reference Comment
Deltar-10. ± 0.2kJ/molEqkKabo, Andreevskii, et al., 1967gas phase; Heat of isomerization

1-Heptene = (Z)-3-Heptene

By formula: C7H14 = C7H14

Quantity Value Units Method Reference Comment
Deltar-7.6 ± 1.1kJ/molEqkKabo, Andreevskii, et al., 1967gas phase; Heat of isomerization

1-Heptene = (Z)-2-Heptene

By formula: C7H14 = C7H14

Quantity Value Units Method Reference Comment
Deltar-7.6 ± 0.1kJ/molEqkKabo, Andreevskii, et al., 1967gas phase; Heat of isomerization

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, 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]

Rockenfeller and Rossini, 1961
Rockenfeller, J.D.; Rossini, F.D., Heats of combustion, isomerization, and formation of selected C7, C8, and C10 monoolefin hydrocarbons, J. Phys. Chem., 1961, 65, 267-272. [all data]

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

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Coops, Mulder, et al., 1947
Coops, J.; Mulder, D.; Dienske, J.W.; Smittenberg, J., Researches on heat of combustion IV. Technique for the determination of the heats of combustion of volatile liquids, Recl. Trav. Chim. Pays-Bas, 1947, 66, 153-160. [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]

McCullough, Finke, et al., 1957
McCullough, J.P.; Finke, H.L.; Gross, M.E.; Messerly, J.F.; Waddington, G., Low temperature calorimetric studies of seven 1-olefins: effect of orientational disorder in the solid state, J. Phys. Chem., 1957, 61, 289-301. [all data]

Parks, Todd, et al., 1936
Parks, G.S.; Todd, S.S.; Shomate, C.H., Thermal data on organic compounds. XVII. Some heat capacity, entropy and free energy data for five higher olefins, J. Am. Chem. Soc., 1936, 58, 2505-2508. [all data]

Lister, 1941
Lister, M.W., Heats of organic reactions. X. Heats of bromination of cyclic olefins, J. Am. Chem. Soc., 1941, 63, 143-149. [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

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