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Hexane, 3-methyl-

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

Quantity Value Units Method Reference Comment
Deltafgas-192.3 ± 1.3kJ/molCcbProsen and Rossini, 1945ALS
Deltafgas-192.9kJ/molN/ADavies and Gilbert, 1941Value computed using «DELTA»fHliquid° value of -228.0±1.0 kj/mol from Davies and Gilbert, 1941 and «DELTA»vapH° value of 35.1 kj/mol from Prosen and Rossini, 1945.; DRB

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-227.4 ± 1.3kJ/molCcbProsen and Rossini, 1945ALS
Deltafliquid-228. ± 1.kJ/molCcbDavies and Gilbert, 1941ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4813.9 ± 1.2kJ/molCcbProsen and Rossini, 1945Corresponding «DELTA»fliquid = -227.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4813. ± 1.kJ/molCcbDavies and Gilbert, 1941Corresponding «DELTA»fliquid = -228.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid309.6J/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 70 K, 70.71 J/mol*K. Forms glass at low temperatures. Value includes estimated zero point entropy of 17 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
216.7289.2Parks, Thomas, et al., 1936T = 71 to 290 K. Glass at lower temperatures. Value is unsmoothed experimental datum.; DH
214.2289.2Huffman, Parks, et al., 1930T = 71 to 289 K. Value is unsmoothed experimental datum.; DH

Reaction thermochemistry data

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

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

2-Hexene, 3-methyl-, (Z)- + Hydrogen = Hexane, 3-methyl-

By formula: C7H14 + H2 = C7H16

Quantity Value Units Method Reference Comment
Deltar-107.4 ± 0.6kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone

Hydrogen + 1-Pentene, 2-ethyl- = Hexane, 3-methyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-114.6 ± 1.1kJ/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane

Hydrogen + 1-Hexene, 3-methyl- = Hexane, 3-methyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-124.5 ± 0.4kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone

Hydrogen + 1-Hexene, 4-methyl- = Hexane, 3-methyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-122.7 ± 0.3kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone

Hydrogen + (Z)-4-Methyl-2-hexene = Hexane, 3-methyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-115.6 ± 0.3kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone

Hydrogen + 2-Hexene, 4-methyl-, (E)- = Hexane, 3-methyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-111.2 ± 0.4kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone

Hydrogen + 3-Hexene, 3-methyl-, (Z)- = Hexane, 3-methyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-110.6 ± 0.4kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone

Hydrogen + 3-Hexene, 3-methyl-, (E)- = Hexane, 3-methyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-109.4 ± 0.4kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone

Hexane, 2-methyl- = Hexane, 3-methyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-0.10 ± 0.21kJ/molEqkRoganov, Kabo, et al., 1972gas phase; At 368 K

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.

Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D., Heats of combustion and formation of the paraffin hydrocarbons at 25° C, J. Res. NBS, 1945, 263-267. [all data]

Davies and Gilbert, 1941
Davies, G.F.; Gilbert, E.C., Heats of combustion and formation of the nine isomeric heptanes in the liquid state, J. Am. Chem. Soc., 1941, 63, 2730-2732. [all data]

Huffman, Parks, et al., 1930
Huffman, H.M.; Parks, G.S.; Thomas, S.B., Thermal data on organic compounds. VIII. The heat capacities, entropies and free energies of the isomeric heptanes, J. Am. Chem. Soc., 1930, 52, 3241-3251. [all data]

Parks, Thomas, et al., 1936
Parks, G.S.; Thomas, S.B.; Light, D.W., XII. Some new heat capacity data for organic glasses. The entropy and free energy of DL-lactic acid, J. Chem. Phys., 1936, 4, 64-69. [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 Dejroongruang, 1989
Rogers, D.W.; Dejroongruang, K., Enthalpies of hydrogenation of the dimethylpentenes, ethylpentenes, methylbutene, and trimethylbutene, J. Chem. Thermodyn., 1989, 21, 1115-1120. [all data]

Roganov, Kabo, et al., 1972
Roganov, G.N.; Kabo, G.Ya.; Andreevskii, D.N., Thermodynamics of the isomerization of methylpentanes and methylheptanes, Neftekhimiya, 1972, 12, 495-500. [all data]


Notes

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