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Heptane

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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:
MS - José A. Martinho Simões
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

Manganese, tricarbonyl(η5-2,4-cyclopentadien-1-yl)- (solution) + Heptane (solution) = C14H21MnO2 (solution) + Carbon monoxide (solution)

By formula: C8H5MnO3 (solution) + C7H16 (solution) = C14H21MnO2 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Deltar47. ± 2.kcal/molAVGN/AAverage of 18 values; Individual data points

Chromium hexacarbonyl (solution) + Heptane (solution) = C12H16CrO5 (solution) + Carbon monoxide (solution)

By formula: C6CrO6 (solution) + C7H16 (solution) = C12H16CrO5 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Deltar27.1 ± 0.8kcal/molAVGN/AAverage of 13 values; Individual data points

C12H16CrO5 (solution) = Heptane (solution) + C5CrO5 (solution)

By formula: C12H16CrO5 (solution) = C7H16 (solution) + C5CrO5 (solution)

Quantity Value Units Method Reference Comment
Deltar9.61kcal/molN/AMorse, Parker, et al., 1989solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Cr-CO bond in Cr(CO)6, 36.81 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Cr(CO)6(solution) + n-C7H16(solution) = Cr(CO)5(n-C7H16)(solution) + CO(solution), 27.20 kcal/mol Morse, Parker, et al., 1989; MS
Deltar9.8kcal/molN/AYang, Vaida, et al., 1988solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Cr-CO bond in Cr(CO)6, 36.81 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Cr(CO)6(solution) + n-C7H16(solution) = Cr(CO)5(n-C7H16)(solution) + CO(solution), 26.98 kcal/mol Yang, Peters, et al., 1986; MS

Hydrogen + 1-Heptene = Heptane

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-29.8 ± 0.5kcal/molAVGN/AAverage of 6 values; Individual data points

C12H16MoO5 (solution) = C5MoO5 (solution) + Heptane (solution)

By formula: C12H16MoO5 (solution) = C5MoO5 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Deltar8.70kcal/molN/AMorse, Parker, et al., 1989solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Mo-CO bond in Mo(CO)6, 40.51 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Mo(CO)6(solution) + n-C7H16(solution) = Mo(CO)5(n-C7H16)(solution) + CO(solution), 31.81 kcal/mol Morse, Parker, et al., 1989; MS

C12H16O5W (solution) = C5O5W (solution) + Heptane (solution)

By formula: C12H16O5W (solution) = C5O5W (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Deltar13.4kcal/molN/AMorse, Parker, et al., 1989solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of W-CO bond in W(CO)6, 46.01 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction W(CO)6(solution) + n-C7H16(solution) = W(CO)5(n-C7H16)(solution) + CO(solution), 32.60 kcal/mol Morse, Parker, et al., 1989; MS

Molybdenum hexacarbonyl (solution) + Heptane (solution) = C12H16MoO5 (solution) + Carbon monoxide (solution)

By formula: C6MoO6 (solution) + C7H16 (solution) = C12H16MoO5 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Deltar32.3 ± 2.9kcal/molPACJohnson, Popov, et al., 1991solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation.; MS
Deltar31.8 ± 1.3kcal/molPACMorse, Parker, et al., 1989solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation; MS

Hydrogen + (Z)-3-Heptene = Heptane

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-28.32 ± 0.07kcal/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone; ALS
Deltar-28.01 ± 0.68kcal/molChydRogers and Siddiqui, 1975liquid phase; solvent: n-Hexane; ALS

Heptane = Pentane, 3-ethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-0.14 ± 0.23kcal/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization; ALS
Deltar-0.52 ± 0.27kcal/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization; ALS

Heptane = Pentane, 2,2-dimethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-3.42 ± 0.28kcal/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization; ALS
Deltar-4.45 ± 0.32kcal/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization; ALS

Heptane = Pentane, 2,3-dimethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-2.18 ± 0.26kcal/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization; ALS
Deltar-2.80 ± 0.30kcal/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization; ALS

Heptane = Pentane, 2,4-dimethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-2.54 ± 0.16kcal/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization; ALS
Deltar-3.40 ± 0.22kcal/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization; ALS

Heptane = Pentane, 3,3-dimethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-2.44 ± 0.15kcal/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization; ALS
Deltar-3.24 ± 0.21kcal/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization; ALS

Heptane = Butane, 2,2,3-trimethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-3.00 ± 0.22kcal/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization; ALS
Deltar-4.17 ± 0.27kcal/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization; ALS

Tungsten hexacarbonyl (solution) + Heptane (solution) = C12H16O5W (solution) + Carbon monoxide (solution)

By formula: C6O6W (solution) + C7H16 (solution) = C12H16O5W (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Deltar32.60 ± 0.41kcal/molPACMorse, Parker, et al., 1989solvent: Heptane; The reaction enthalpy relies on 0.72 for the quantum yield of CO dissociation; MS

Benzenechromiumtricarbonyl (solution) + Heptane (solution) = C15H22CrO2 (solution) + Carbon monoxide (solution)

By formula: C9H6CrO3 (solution) + C7H16 (solution) = C15H22CrO2 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Deltar32.79 ± 0.31kcal/molPACBurkey, 1990solvent: Heptane; The reaction enthalpy relies on 0.72 for the quantum yield of CO dissociation; MS

Vanadium, tetracarbonyl(η5-2,4-cyclopentadien-1-yl)- (solution) + Heptane (solution) = C15H21O3V (solution) + Carbon monoxide (solution)

By formula: C9H5O4V (solution) + C7H16 (solution) = C15H21O3V (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Deltar25.6 ± 3.1kcal/molPACJohnson, Popov, et al., 1991solvent: Heptane; The reaction enthalpy relies on 0.80 for the quantum yield of CO dissociation.; MS

C12H16CrO5 (solution) + 1,3-Diazine (solution) = Heptane (solution) + C10H5CrNO5 (solution)

By formula: C12H16CrO5 (solution) + C4H4N2 (solution) = C7H16 (solution) + C10H5CrNO5 (solution)

Quantity Value Units Method Reference Comment
Deltar-20.1 ± 0.41kcal/molPACYang, Vaida, et al., 1988solvent: Heptane; MS

Hydrogen + 2-Heptene, (E)- = Heptane

By formula: H2 + C7H14 = C7H16

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

Hydrogen + 3-Heptene, (E)- = Heptane

By formula: H2 + C7H14 = C7H16

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

C14H21MnO2 (solution) + Tetrahydrofuran (solution) = C11H13MnO3 (solution) + Heptane (solution)

By formula: C14H21MnO2 (solution) + C4H8O (solution) = C11H13MnO3 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Deltar-16.1 ± 1.4kcal/molPACKlassen, Selke, et al., 1990solvent: Heptane; MS

Hydrogen + (Z)-2-Heptene = Heptane

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-27.63 ± 0.1kcal/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone; ALS

C12H16CrO5 (solution) + Tetrahydrofuran (solution) = C9H8CrO6 (solution) + Heptane (solution)

By formula: C12H16CrO5 (solution) + C4H8O (solution) = C9H8CrO6 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Deltar-12.4 ± 1.2kcal/molPACYang, Peters, et al., 1986solvent: Heptane; MS

C12H16CrO5 (solution) + Acetone (solution) = Heptane (solution) + C8H6CrO6 (solution)

By formula: C12H16CrO5 (solution) + C3H6O (solution) = C7H16 (solution) + C8H6CrO6 (solution)

Quantity Value Units Method Reference Comment
Deltar-13.5 ± 1.2kcal/molPACYang, Peters, et al., 1986solvent: Heptane; MS

C12H16CrO5 (solution) + Tributylamine (solution) = C17H27CrNO5 (solution) + Heptane (solution)

By formula: C12H16CrO5 (solution) + C12H27N (solution) = C17H27CrNO5 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Deltar-12.2 ± 1.2kcal/molPACYang, Peters, et al., 1986solvent: Heptane; MS

C12H16CrO5 (solution) + 1-Hexene (solution) = C11H12CrO5 (solution) + Heptane (solution)

By formula: C12H16CrO5 (solution) + C6H12 (solution) = C11H12CrO5 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Deltar-12.2 ± 1.2kcal/molPACYang, Peters, et al., 1986solvent: Heptane; MS

C14H21MnO2 (solution) + Acetone (solution) = C10H11MnO3 (solution) + Heptane (solution)

By formula: C14H21MnO2 (solution) + C3H6O (solution) = C10H11MnO3 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Deltar-17.4 ± 1.0kcal/molPACKlassen, Selke, et al., 1990solvent: Heptane; MS

C14H21MnO2 (solution) + Methylene chloride (solution) = C8H7Cl2MnO2 (solution) + Heptane (solution)

By formula: C14H21MnO2 (solution) + CH2Cl2 (solution) = C8H7Cl2MnO2 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Deltar-9.0 ± 1.0kcal/molPACYang and Yang, 1992solvent: Heptane; MS

C14H21MnO2 (solution) + Methane, dibromo- (solution) = C8H7Br2MnO2 (solution) + Heptane (solution)

By formula: C14H21MnO2 (solution) + CH2Br2 (solution) = C8H7Br2MnO2 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Deltar-12.2 ± 1.2kcal/molPACYang and Yang, 1992solvent: Heptane; MS

C12H16CrO5 (solution) + Ethanol (solution) = C7H5CrO6 (solution) + Heptane (solution)

By formula: C12H16CrO5 (solution) + C2H6O (solution) = C7H5CrO6 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Deltar-13.8 ± 1.2kcal/molPACYang, Peters, et al., 1986solvent: Heptane; MS

C12H16CrO5 (solution) + Acetonitrile (solution) = C8H6CrNO5 (solution) + Heptane (solution)

By formula: C12H16CrO5 (solution) + C2H3N (solution) = C8H6CrNO5 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Deltar-18.2 ± 1.2kcal/molPACYang, Peters, et al., 1986solvent: Heptane; MS

2-Heptyne + 2Hydrogen = Heptane

By formula: C7H12 + 2H2 = C7H16

Quantity Value Units Method Reference Comment
Deltar-65.11 ± 0.31kcal/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane; ALS

2Hydrogen + 3-Heptyne = Heptane

By formula: 2H2 + C7H12 = C7H16

Quantity Value Units Method Reference Comment
Deltar-64.63 ± 0.36kcal/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane; ALS

2Hydrogen + 1-Heptyne = Heptane

By formula: 2H2 + C7H12 = C7H16

Quantity Value Units Method Reference Comment
Deltar-69.65 ± 0.39kcal/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane; ALS

References

Go To: Top, Reaction thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Morse, Parker, et al., 1989
Morse, J.M., Jr.; Parker, G.H.; Burkey, T.J., Organometallics, 1989, 8, 2471. [all data]

Lewis, Golden, et al., 1984
Lewis, K.E.; Golden, D.M.; Smith, G.P., Organometallic bond dissociation energies: Laser pyrolysis of Fe(CO)5, Cr(CO)6, Mo(CO)6, and W(CO)6, J. Am. Chem. Soc., 1984, 106, 3905. [all data]

Yang, Vaida, et al., 1988
Yang, G.K.; Vaida, V.; Peters, K.S., Polyhedron, 1988, 7, 1619. [all data]

Yang, Peters, et al., 1986
Yang, G.K.; Peters, K.S.; Vaida, V., Chem. Phys. Lett., 1986, 125, 566. [all data]

Johnson, Popov, et al., 1991
Johnson, F.P.A.; Popov, V.K.; George, M.W.; Bagratashvili, V.N.; Poliakoff, M.; Turner, J.J., Mendeleev Commun., 1991, 145.. [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]

Rogers and Siddiqui, 1975
Rogers, D.W.; Siddiqui, N.A., Heats of hydrogenation of large molecules. I. Esters of unsaturated fatty acids, J. Phys. Chem., 1975, 79, 574-577. [all data]

Prosen and Rossini, 1941
Prosen, E.J.R.; Rossini, F.D., Heats of isomerization of the nine heptanes, J. Res. NBS, 1941, 27, 519-528. [all data]

Burkey, 1990
Burkey, T.J., J. Am. Chem. Soc., 1990, 112, 8329. [all data]

Klassen, Selke, et al., 1990
Klassen, J.K.; Selke, M.; Sorensen, A.A.; Yang, G.K., J. Am. Chem. Soc., 1990, 112, 1267. [all data]

Yang and Yang, 1992
Yang, P.-F.; Yang, K.G., J. Am. Chem. Soc., 1992, 114, 6937. [all data]

Rogers, Dagdagan, et al., 1979
Rogers, D.W.; Dagdagan, O.A.; Allinger, N.L., Heats of hydrogenation and formation of linear alkynes and a molecular mechanics interpretation, J. Am. Chem. Soc., 1979, 101, 671-676. [all data]


Notes

Go To: Top, Reaction thermochemistry data, References