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n-Hexane

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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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
MS - José A. Martinho Simões

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-Hexene = n-Hexane

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Deltar-125. ± 3.kJ/molAVGN/AAverage of 8 values; Individual data points

2Hydrogen + 1,5-Hexadiene = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Deltar-252. ± 2.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS
Deltar-253.9 ± 2.7kJ/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Dioxane; ALS
Deltar-251.8 ± 1.5kJ/molChydTurner, Mallon, et al., 1973liquid phase; solvent: Glacial acetic acid; ALS
Deltar-251.2 ± 0.42kJ/molChydKistiakowsky, Ruhoff, et al., 1936gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -253.3 ± 0.63 kJ/mol; At 355 °K; ALS

Hydrogen + 2-Hexene, (E)- = n-Hexane

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Deltar-116.1 ± 0.45kJ/molChydRogers, Crooks, et al., 1987liquid phase; ALS
Deltar-481.2 ± 3.5kJ/molChydRogers and Crooks, 1983liquid phase; solvent: Hexane; ALS
Deltar-111.3 ± 1.1kJ/molChydRogers, Papadimetriou, et al., 1975liquid phase; solvent: Hexane; ALS

Hydrogen + 3-Hexene, (Z)- = n-Hexane

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Deltar-121.6 ± 0.32kJ/molChydRogers, Crooks, et al., 1987liquid phase; ALS
Deltar-119.3 ± 1.2kJ/molChydRogers, Papadimetriou, et al., 1975liquid phase; solvent: Hexane; ALS
Deltar-119.5 ± 1.2kJ/molChydRogers and Siddiqui, 1975liquid phase; solvent: n-Hexane; ALS

3-Hexene, (E)- + Hydrogen = n-Hexane

By formula: C6H12 + H2 = C6H14

Quantity Value Units Method Reference Comment
Deltar-117.9 ± 0.73kJ/molChydRogers, Crooks, et al., 1987liquid phase; ALS
Deltar-117.9 ± 0.82kJ/molChydRogers and Crooks, 1983liquid phase; solvent: Hexane; ALS
Deltar-109.8 ± 1.7kJ/molChydRogers, Papadimetriou, et al., 1975liquid phase; solvent: Hexane; ALS

Hydrogen + 2-Hexene, (Z)- = n-Hexane

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Deltar-119.5 ± 0.69kJ/molChydRogers, Crooks, et al., 1987liquid phase; ALS
Deltar-119.0 ± 0.78kJ/molChydRogers and Crooks, 1983liquid phase; solvent: Hexane; ALS
Deltar-113.2 ± 0.92kJ/molChydRogers, Papadimetriou, et al., 1975liquid phase; solvent: Hexane; ALS

3Hydrogen + 1,3,5-Hexatriene, (Z)- = n-Hexane

By formula: 3H2 + C6H8 = C6H14

Quantity Value Units Method Reference Comment
Deltar-339. ± 3.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS
Deltar-336.8 ± 1.4kJ/molChydTurner, Mallon, et al., 1973liquid phase; solvent: Glacial acetic acid; ALS

3Hydrogen + 1,3,5-Hexatriene, (E)- = n-Hexane

By formula: 3H2 + C6H8 = C6H14

Quantity Value Units Method Reference Comment
Deltar-335. ± 3.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS
Deltar-332.3 ± 0.92kJ/molChydTurner, Mallon, et al., 1973liquid phase; solvent: Glacial acetic acid; ALS

4Hydrogen + 1,5-Hexadiyne = n-Hexane

By formula: 4H2 + C6H6 = C6H14

Quantity Value Units Method Reference Comment
Deltar-582.8 ± 4.2kJ/molChydSkinner and Snelson, 1959liquid phase; solvent: Acetic acid; Reanalyzed by Cox and Pilcher, 1970, Original value = -583.2 ± 4.2 kJ/mol; ALS

2Hydrogen + cis-1,3-hexadiene = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Deltar-226. ± 1.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS

2Hydrogen + (E)-1,3-Hexadiene = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Deltar-221. ± 1.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS

2Hydrogen + (Z),(Z)-2,4-Hexadiene = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Deltar-219. ± 2.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS

2Hydrogen + 1,4-Hexadiene, (Z)- = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Deltar-244. ± 2.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS

2Hydrogen + trans-1,4-Hexadiene = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Deltar-241. ± 2.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS

2Hydrogen + 2,4-Hexadiene, (E,Z)- = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Deltar-215. ± 2.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS

2Hydrogen + 2,4-Hexadiene, (E,E)- = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Deltar-211. ± 2.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS

2Hydrogen + trans-1-propenyl-cyclopropane = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Deltar-264. ± 0.8kJ/molChydRoth, Kirmse, et al., 1982liquid phase; solvent: Isooctane; ALS

4Hydrogen + (Z)-3,5-Hexadien-1-yne = n-Hexane

By formula: 4H2 + C6H6 = C6H14

Quantity Value Units Method Reference Comment
Deltar-522. ± 2.kJ/molChydRoth, Hopf, et al., 1994liquid phase; solvent: Isooctane; ALS

C5O5W (g) + n-Hexane (g) = C11H14O5W (g)

By formula: C5O5W (g) + C6H14 (g) = C11H14O5W (g)

Quantity Value Units Method Reference Comment
Deltar-45. ± 13.kJ/molEqGBrown, Ishikawa, et al., 1990Temperature range: ca. 300-350 K; MS

2Hydrogen + 1-Hexyne = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Deltar-289.4 ± 0.46kJ/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane; ALS

2Hydrogen + 3-Hexyne = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Deltar-272.4 ± 1.2kJ/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane; ALS

2Hydrogen + 2-Hexyne = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Deltar-275. ± 2.kJ/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane; ALS

n-Hexane = Pentane, 2-methyl-

By formula: C6H14 = C6H14

Quantity Value Units Method Reference Comment
Deltar-5.44 ± 0.88kJ/molCisoProsen and Rossini, 1941liquid phase; Calculated from «DELTA»Hc; ALS

n-Hexane = Pentane, 3-methyl-

By formula: C6H14 = C6H14

Quantity Value Units Method Reference Comment
Deltar-3.2 ± 0.79kJ/molCisoProsen and Rossini, 1941liquid phase; Calculated from «DELTA»Hc; ALS

n-Hexane = Butane, 2,3-dimethyl-

By formula: C6H14 = C6H14

Quantity Value Units Method Reference Comment
Deltar-8.20 ± 0.84kJ/molCisoProsen and Rossini, 1941liquid phase; Calculated from «DELTA»Hc; ALS

n-Hexane = Butane, 2,2-dimethyl-

By formula: C6H14 = C6H14

Quantity Value Units Method Reference Comment
Deltar-14.6 ± 0.75kJ/molCisoProsen and Rossini, 1941liquid phase; Calculated from «DELTA»Hc; ALS

5Hydrogen + (E)-Hexa-1,5-diyne-3-ene = n-Hexane

By formula: 5H2 + C6H4 = C6H14

Quantity Value Units Method Reference Comment
Deltar-705. ± 2.kJ/molChydRoth, Adamczak, et al., 1991liquid phase; ALS

5Hydrogen + (Z)-Hexa-1,5-diyne-3-ene = n-Hexane

By formula: 5H2 + C6H4 = C6H14

Quantity Value Units Method Reference Comment
Deltar-709. ± 2.kJ/molChydRoth, Adamczak, et al., 1991liquid phase; ALS

3Hydrogen + C6H8 = n-Hexane

By formula: 3H2 + C6H8 = C6H14

Quantity Value Units Method Reference Comment
Deltar-432. ± 1.kJ/molChydRoth, Adamczak, et al., 1991liquid phase; 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.

Fang and Rogers, 1992
Fang, W.; Rogers, D.W., Enthalpy of hydrogenation of the hexadienes and cis- and trans-1,3,5-hexatriene, J. Org. Chem., 1992, 57, 2294-2297. [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]

Turner, Mallon, et al., 1973
Turner, R.B.; Mallon, B.J.; Tichy, M.; Doering, W.v.E.; Roth, W.R.; Schroder, G., Heats of hydrogenation. X. Conjugative interaction in cyclic dienes and trienes, J. Am. Chem. Soc., 1973, 95, 8605-8610. [all data]

Kistiakowsky, Ruhoff, et al., 1936
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E., Heats of organic reactions. IV. Hydrogenation of some dienes and of benzene, J. Am. Chem. Soc., 1936, 58, 146-153. [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]

Rogers, Crooks, et al., 1987
Rogers, D.W.; Crooks, E.; Dejroongruang, K., Enthalpies of hydrogenation of the hexenes, J. Chem. Thermodyn., 1987, 19, 1209-1215. [all data]

Rogers and Crooks, 1983
Rogers, D.W.; Crooks, E.L., Enthalpies of hydrogenation of the isomers of n-hexene, J. Chem. Thermodyn., 1983, 15, 1087-1092. [all data]

Rogers, Papadimetriou, et al., 1975
Rogers, D.W.; Papadimetriou, P.M.; Siddiqui, N.A., An improved hydrogen microcalorimeter for use with large molecules, Mikrochim. Acta, 1975, 2, 389-400. [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]

Skinner and Snelson, 1959
Skinner, H.A.; Snelson, A., Heats of hydrogenation Part 3., Trans. Faraday Soc., 1959, 55, 405-407. [all data]

Roth, Kirmse, et al., 1982
Roth, W.R.; Kirmse, W.; Hoffmann, W.; Lennartz, H.W., Heats of hydrogenation. III. Effect of fluoro substituents on the thermal rearrangement of cyclopropane systems, Chem. Ber., 1982, 115, 2508-2515. [all data]

Roth, Hopf, et al., 1994
Roth, W.R.; Hopf, H.; Horn, C., Propargyl-Stabilisierungsenergie, Chem. Ber., 1994, 127, 1781-1795. [all data]

Brown, Ishikawa, et al., 1990
Brown, C.E.; Ishikawa, Y.; Hackett, P.A.; Rayner, D.M., J. Am. Chem. Soc., 1990, 112, 2530. [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]

Prosen and Rossini, 1941
Prosen, E.J.R.; Rossini, F.D., Heats of isomerization of the five hexanes, J. Res. NBS, 1941, 27, 289-310. [all data]

Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [all data]


Notes

Go To: Top, Reaction thermochemistry data, References