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Pentane, 3,3-dimethyl-

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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.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-201.5 ± 0.92kJ/molCcbProsen and Rossini, 1945ALS
Deltafgas-205.9kJ/molN/ADavies and Gilbert, 1941Value computed using «DELTA»fHliquid° value of -239.0±1.0 kj/mol from Davies and Gilbert, 1941 and «DELTA»vapH° value of 33.1 kj/mol from Prosen and Rossini, 1945.; DRB
Quantity Value Units Method Reference Comment
gas398.02J/mol*KN/AFinke H.L., 1976GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
187.44 ± 0.37344.13Hossenlopp I.A., 1981GT
197.68 ± 0.40366.22
214.51 ± 0.43402.31
235.08 ± 0.47449.30
250.70 ± 0.50487.21

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
113.72200.Scott D.W., 1974Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, 2, Scott D.W., 1974]. This approach gives a good agreement with experimental data available for alkanes. However, large uncertainties could be expected at high temperatures.; GT
152.97273.15
165.8 ± 0.8298.15
166.69300.
215.35400.
258.45500.
295.81600.
327.61700.
355.22800.
379.49900.
400.411000.
419.241100.
435.551200.
451.871300.
464.421400.
476.981500.

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-234.6 ± 0.92kJ/molCcbProsen and Rossini, 1945ALS
Deltafliquid-239. ± 1.kJ/molCcbDavies and Gilbert, 1941ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4806.70 ± 0.79kJ/molCcbProsen and Rossini, 1945Corresponding «DELTA»fliquid = -234.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4802. ± 1.kJ/molCcbDavies and Gilbert, 1941Corresponding «DELTA»fliquid = -239.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid305.6J/mol*KN/AFinke, Messerly, et al., 1976DH
liquid293.3J/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 90 K, 60.67 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
214.8298.15Finke, Messerly, et al., 1976T = 10 to 400 K.; DH
211.7292.9Huffman, Parks, et al., 1930T = 92 to 293 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

Heptane = Pentane, 3,3-dimethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-10.2 ± 0.63kJ/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization
Deltar-13.6 ± 0.88kJ/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization

Hydrogen + 1-Pentene, 3,3-dimethyl- = Pentane, 3,3-dimethyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-122.9 ± 1.0kJ/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane

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]

Finke H.L., 1976
Finke H.L., Low-temperature thermal quantities for five alkyl-substituted pentanes, J. Chem. Thermodyn., 1976, 8, 965-983. [all data]

Hossenlopp I.A., 1981
Hossenlopp I.A., Vapor heat capacities and enthalpies of vaporization of five alkane hydrocarbons, J. Chem. Thermodyn., 1981, 13, 415-421. [all data]

Scott D.W., 1974
Scott D.W., Chemical Thermodynamic Properties of Hydrocarbons and Related Substances. Properties of the Alkane Hydrocarbons, C1 through C10 in the Ideal Gas State from 0 to 1500 K. U.S. Bureau of Mines, Bulletin 666, 1974. [all data]

Scott D.W., 1974, 2
Scott D.W., Correlation of the chemical thermodynamic properties of alkane hydrocarbons, J. Chem. Phys., 1974, 60, 3144-3165. [all data]

Finke, Messerly, et al., 1976
Finke, H.L.; Messerly, J.F.; Douslin, D.R., Low-temperature thermal quantities for five alkyl-substituted pentanes, J. Chem. Thermodynam., 1976, 8, 965-983. [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]

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]

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]


Notes

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