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
Δfgas-48.17 ± 0.22kcal/molCcbProsen and Rossini, 1945ALS
Δfgas-49.21kcal/molN/ADavies and Gilbert, 1941Value computed using ΔfHliquid° value of -239.0±1.0 kj/mol from Davies and Gilbert, 1941 and ΔvapH° value of 33.1 kj/mol from Prosen and Rossini, 1945.; DRB
Quantity Value Units Method Reference Comment
gas95.129cal/mol*KN/AFinke H.L., 1976GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
44.799 ± 0.088344.13Hossenlopp I.A., 1981GT
47.247 ± 0.096366.22
51.27 ± 0.10402.31
56.19 ± 0.11449.30
59.92 ± 0.12487.21

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
27.180200.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
36.561273.15
39.6 ± 0.2298.15
39.840300.
51.470400.
61.771500.
70.700600.
78.301700.
84.900800.
90.700900.
95.7001000.
100.201100.
104.101200.
108.001300.
111.001400.
114.001500.

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
Δfliquid-56.07 ± 0.22kcal/molCcbProsen and Rossini, 1945ALS
Δfliquid-57.0 ± 0.3kcal/molCcbDavies and Gilbert, 1941ALS
Quantity Value Units Method Reference Comment
Δcliquid-1148.83 ± 0.19kcal/molCcbProsen and Rossini, 1945Corresponding Δfliquid = -56.05 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-1147.7 ± 0.3kcal/molCcbDavies and Gilbert, 1941Corresponding Δfliquid = -57.14 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid73.04cal/mol*KN/AFinke, Messerly, et al., 1976DH
liquid70.10cal/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 90 K, 60.67 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
51.34298.15Finke, Messerly, et al., 1976T = 10 to 400 K.; DH
50.60292.9Huffman, 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
Δr-2.44 ± 0.15kcal/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization
Δr-3.24 ± 0.21kcal/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
Δr-29.37 ± 0.24kcal/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane

References

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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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