Octane

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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 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

1-Octene + Hydrogen = Octane

By formula: C8H16 + H2 = C8H18

Quantity Value Units Method Reference Comment
Δr-30. ± 2.kcal/molAVGN/AAverage of 7 values; Individual data points

Hydrogen + 4-Octene, (Z)- = Octane

By formula: H2 + C8H16 = C8H18

Quantity Value Units Method Reference Comment
Δr-28.25 ± 0.1kcal/molChydRogers, Dejroongruang, et al., 1992liquid phase; solvent: Cyclohexane
Δr-28.62 ± 0.52kcal/molChydRogers and Siddiqui, 1975liquid phase; solvent: n-Hexane
Δr-27.39 ± 0.14kcal/molChydTurner, Jarrett, et al., 1973liquid phase; solvent: Acetic acid

2Hydrogen + 4-Octyne = Octane

By formula: 2H2 + C8H14 = C8H18

Quantity Value Units Method Reference Comment
Δr-64.22 ± 0.26kcal/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane
Δr-62.80 ± 0.16kcal/molChydTurner, Jarrett, et al., 1973liquid phase; solvent: Acetic acid
Δr-62.8kcal/molChydSicher, Svoboda, et al., 1966liquid phase; solvent: Acetic acid

2Hydrogen + 1-Octyne = Octane

By formula: 2H2 + C8H14 = C8H18

Quantity Value Units Method Reference Comment
Δr-69.55 ± 0.47kcal/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Dioxane
Δr-69.15 ± 0.65kcal/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane

Octane = Pentane, 3-ethyl-3-methyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-0.73 ± 0.21kcal/molCisoProsen and Rossini, 1945liquid phase; Calculated from ΔHc

Octane = Heptane, 2-methyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-1.25 ± 0.22kcal/molCisoProsen and Rossini, 1945liquid phase; Calculated from ΔHc

Octane = Heptane, 3-methyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-0.61 ± 0.19kcal/molCisoProsen and Rossini, 1945liquid phase; Calculated from ΔHc

Octane = Heptane, 4-methyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-0.44 ± 0.19kcal/molCisoProsen and Rossini, 1945liquid phase; Calculated from ΔHc

Octane = Hexane, 3-ethyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-0.14 ± 0.17kcal/molCisoProsen and Rossini, 1945liquid phase; Calculated from ΔHc

Octane = Hexane, 2,2-dimethyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-2.89 ± 0.16kcal/molCisoProsen and Rossini, 1945liquid phase; Calculated from ΔHc

Octane = Hexane, 2,3-dimethyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-0.67 ± 0.28kcal/molCisoProsen and Rossini, 1945liquid phase; Calculated from ΔHc

Octane = Hexane, 2,4-dimethyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-1.73 ± 0.18kcal/molCisoProsen and Rossini, 1945liquid phase; Calculated from ΔHc

Octane = Hexane, 2,5-dimethyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-2.53 ± 0.28kcal/molCisoProsen and Rossini, 1945liquid phase; Calculated from ΔHc

Octane = Hexane, 3,3-dimethyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-1.85 ± 0.17kcal/molCisoProsen and Rossini, 1945liquid phase; Calculated from ΔHc

Octane = Hexane, 3,4-dimethyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-0.49 ± 0.29kcal/molCisoProsen and Rossini, 1945liquid phase; Calculated from ΔHc

Octane = Pentane, 2,2,3-trimethyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-1.70 ± 0.28kcal/molCisoProsen and Rossini, 1945liquid phase; Calculated from ΔHc

Octane = Pentane, 2,2,4-trimethyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-2.24 ± 0.25kcal/molCisoProsen and Rossini, 1945liquid phase; Calculated from ΔHc

Octane = Pentane, 2,3,3-trimethyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-0.89 ± 0.26kcal/molCisoProsen and Rossini, 1945liquid phase; Calculated from ΔHc

Octane = Pentane, 2,3,4-trimethyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-1.25 ± 0.32kcal/molCisoProsen and Rossini, 1945liquid phase; Calculated from ΔHc

Octane = Butane, 2,2,3,3-tetramethyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-4.50 ± 0.38kcal/molCisoProsen and Rossini, 1945liquid phase; Calculated from ΔHc

Octane = Pentane, 3-ethyl-2-methyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr0.05 ± 0.22kcal/molCisoProsen and Rossini, 1945liquid phase; Calculated from ΔHc

Hydrogen + 2-Octene, (E)- = Octane

By formula: H2 + C8H16 = C8H18

Quantity Value Units Method Reference Comment
Δr-27.6 ± 0.2kcal/molChydRogers, Dejroongruang, et al., 1992liquid phase; solvent: Cyclohexane

Hydrogen + 3-Octene, (Z)- = Octane

By formula: H2 + C8H16 = C8H18

Quantity Value Units Method Reference Comment
Δr-28.15 ± 0.1kcal/molChydRogers, Dejroongruang, et al., 1992liquid phase; solvent: Cyclohexane

Hydrogen + 4-Octene, (E)- = Octane

By formula: H2 + C8H16 = C8H18

Quantity Value Units Method Reference Comment
Δr-27.49 ± 0.1kcal/molChydRogers, Dejroongruang, et al., 1992liquid phase; solvent: Cyclohexane

Hydrogen + 3-Octene, (E)- = Octane

By formula: H2 + C8H16 = C8H18

Quantity Value Units Method Reference Comment
Δr-27.68 ± 0.1kcal/molChydRogers, Dejroongruang, et al., 1992liquid phase; solvent: Cyclohexane

2Hydrogen + 3-Octyne = Octane

By formula: 2H2 + C8H14 = C8H18

Quantity Value Units Method Reference Comment
Δr-64.80 ± 0.19kcal/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane

Hydrogen + 2-Octene, (Z)- = Octane

By formula: H2 + C8H16 = C8H18

Quantity Value Units Method Reference Comment
Δr-28.54 ± 0.26kcal/molChydRogers, Dejroongruang, et al., 1992liquid phase; solvent: Cyclohexane

2Hydrogen + 2-Octyne = Octane

By formula: 2H2 + C8H14 = C8H18

Quantity Value Units Method Reference Comment
Δr-65.10 ± 0.11kcal/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane

4Hydrogen + 1,7-Octadiyne = Octane

By formula: 4H2 + C8H10 = C8H18

Quantity Value Units Method Reference Comment
Δr-139.7 ± 1.2kcal/molChydFlitcroft, Skinner, et al., 1957liquid phase

3Hydrogen + 1-Octen-3-yne = Octane

By formula: 3H2 + C8H12 = C8H18

Quantity Value Units Method Reference Comment
Δr-93.4 ± 1.5kcal/molChydFlitcroft and Skinner, 1958liquid phase

4Hydrogen + Octa-1,2,6,7-teraene = Octane

By formula: 4H2 + C8H10 = C8H18

Quantity Value Units Method Reference Comment
Δr-138.0kcal/molChydRoth, Scholz, et al., 1982liquid phase

Octane = Hydrogen + 2-Octene, (E)-

By formula: C8H18 = H2 + C8H16

Quantity Value Units Method Reference Comment
Δr27.192kcal/molEqkEliseev, 1986liquid phase

Octane = Hydrogen + 3-Octene, (Z)-

By formula: C8H18 = H2 + C8H16

Quantity Value Units Method Reference Comment
Δr28.260kcal/molEqkEliseev, 1986liquid phase

Octane = Hydrogen + 3-Octene, (E)-

By formula: C8H18 = H2 + C8H16

Quantity Value Units Method Reference Comment
Δr27.261kcal/molEqkEliseev, 1986liquid phase

Octane = Hydrogen + 4-Octene, (E)-

By formula: C8H18 = H2 + C8H16

Quantity Value Units Method Reference Comment
Δr27.261kcal/molEqkEliseev, 1986liquid phase

Octane = Hydrogen + 2-Octene, (Z)-

By formula: C8H18 = H2 + C8H16

Quantity Value Units Method Reference Comment
Δr28.191kcal/molEqkEliseev, 1986liquid phase

Octane = Hydrogen + 4-Octene, (Z)-

By formula: C8H18 = H2 + C8H16

Quantity Value Units Method Reference Comment
Δr28.260kcal/molEqkEliseev, 1986liquid phase

Octane = 1-Octene + Hydrogen

By formula: C8H18 = C8H16 + H2

Quantity Value Units Method Reference Comment
Δr30.000kcal/molEqkEliseev, 1986liquid phase

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.

Rogers, Dejroongruang, et al., 1992
Rogers, D.W.; Dejroongruang, K.; Samuel, S.D.; Fang, W.; Zhao, Y., Enthalpies of hydrogenation of the octenes and the methylheptenes, J. Chem. Thermodyn., 1992, 24, 561-565. [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]

Turner, Jarrett, et al., 1973
Turner, R.B.; Jarrett, A.D.; Goebel, P.; Mallon, B.J., Heats of hydrogenation. 9. Cyclic acetylenes and some miscellaneous olefins, J. Am. Chem. Soc., 1973, 95, 790-792. [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]

Sicher, Svoboda, et al., 1966
Sicher, J.; Svoboda, M.; Zavada, J.; Turner, R.B.; Goebel, P., Sterochemical studies - XXXVI. An approach to conformational analysis of medium ring compounds. Unsaturated ten-membered ring derivates, Tetrahedron, 1966, 22, 659-671. [all data]

Molnar, Rachford, et al., 1984
Molnar, A.; Rachford, R.; Smith, G.V.; Liu, R., Heats of hydrogenation by a simple and rapid flow calorimetric method, Appl. Catal., 1984, 9, 219-223. [all data]

Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D., Heats of isomerization of the 18 octanes, J. Res. NBS, 1945, 34, 163-174. [all data]

Flitcroft, Skinner, et al., 1957
Flitcroft, T.; Skinner, H.A.; Whiting, M.C., Heats of hydrogenation Part 1.-Dodeca-3:9 and -5:7 Diynes, Trans. Faraday Soc., 1957, 53, 784-790. [all data]

Flitcroft and Skinner, 1958
Flitcroft, T.L.; Skinner, H.A., Heats of hydrogenation Part 2.-Acetylene derivatives, Trans. Faraday Soc., 1958, 54, 47-53. [all data]

Roth, Scholz, et al., 1982
Roth, W.R.; Scholz, B.P.; Breuckmann, R.; Jelich, K.; Lennartz, H.W., Thermolysis of 1,2,6,7-octatetraene, Chem. Ber., 1982, 115, 1934-1946. [all data]

Eliseev, 1986
Eliseev, N.A., Thermodynamic calculation of the equilibrium composition of isomeric octenes in dehydrogenation of n-octane, Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1986, 29, 26-29. [all data]


Notes

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