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Neopentane

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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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-40.14 ± 0.15kcal/molCcbGood, 1970ALS
Deltafgas-40.27 ± 0.24kcal/molCmPilcher and Chadwick, 1967ALS
Deltafgas-39.67 ± 0.25kcal/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Deltacgas-839.88 ± 0.23kcal/molCmPilcher and Chadwick, 1967Corresponding «DELTA»fgas = -40.27 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
28.877 ± 0.060298.15Hossenlopp I.A., 1981GT
30.970 ± 0.062323.15
33.081 ± 0.067348.15
35.148 ± 0.069373.15
37.156 ± 0.074398.15
39.082 ± 0.076423.15
40.980 ± 0.081448.15
42.770 ± 0.086473.15
44.555 ± 0.088498.15
46.219 ± 0.093523.15

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
19.25200.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 better agreement with experimental data than the statistical thermodynamics calculation [ Pitzer K.S., 1946].; GT
26.680273.15
28.879 ± 0.060298.15
29.051300.
37.280400.
44.689500.
51.300600.
57.101700.
62.400800.
67.000900.
71.2001000.
74.9001100.
78.2001200.
80.9991300.
84.0011400.
85.9991500.

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-45.49 ± 0.15kcal/molCcbGood, 1970ALS
Deltafliquid-44.98 ± 0.25kcal/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Deltacliquid-834.71 ± 0.14kcal/molCcbGood, 1970Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -834.66 ± 0.12 kcal/mol; Corresponding «DELTA»fliquid = -45.44 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-835.18 ± 0.24kcal/molCcbProsen and Rossini, 1945Corresponding «DELTA»fliquid = -44.97 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid51.819cal/mol*KN/AEnokida, Shinoda, et al., 1969At normal boiling point.; DH
liquid52.29cal/mol*KN/AAston and Messerly, 1936DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
36.589259.93Enokida, Shinoda, et al., 1969T = 4 to 260 K. Value is unsmoothed experimental datum.; DH
39.171278.92Aston and Messerly, 1936T = 13 to 283 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 as indicated in comments:
B - John E. Bartmess
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

C5H11- + Hydrogen cation = Neopentane

By formula: C5H11- + H+ = C5H12

Quantity Value Units Method Reference Comment
Deltar408.9 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase; B
Deltar411. ± 10.kcal/molCIDTGraul and Squires, 1990gas phase; B
Quantity Value Units Method Reference Comment
Deltar400.1 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase; B

C10H22Mg (cr) + Hydrogen (g) + Bromine (l) = 2Neopentane (l) + Br2Mg (cr)

By formula: C10H22Mg (cr) + H2 (g) + Br2 (l) = 2C5H12 (l) + Br2Mg (cr)

Quantity Value Units Method Reference Comment
Deltar-160.0 ± 1.6kcal/molRSCAkkerman, Schat, et al., 1983MS

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.

Good, 1970
Good, W.D., The enthalpies of combustion and formation of the isomeric pentanes, J. Chem. Thermodyn., 1970, 2, 237-244. [all data]

Pilcher and Chadwick, 1967
Pilcher, G.; Chadwick, J.D.M., Measurements of heats of combustion by flame calorimetry. Part 4.-n-Pentane, isopentane, neopentane, Trans. Faraday Soc., 1967, 63, 2357-2361. [all data]

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]

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]

Pitzer K.S., 1946
Pitzer K.S., The entropies and related properties of branched paraffin hydrocarbons, Chem. Rev., 1946, 39, 435-447. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Enokida, Shinoda, et al., 1969
Enokida, H.; Shinoda, T.; Mashiko, Y., Thermodynamic properties of neopentane from 4K to the melting point and comparison with spectroscopic data, Bull. Chem. Soc. Japan, 1969, 42, 84-91. [all data]

Aston and Messerly, 1936
Aston, J.G.; Messerly, G.H., Heat capacities and entropies of organic compounds. II. Thermal and vapor pressure data for tetramethylmethane from 13.22°K to the boiling point. The entropy from its Raman spectrum, J. Am. Chem. Soc., 1936, 58, 2354-2361. [all data]

DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R., The Gas Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003 . [all data]

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]

Akkerman, Schat, et al., 1983
Akkerman, O.S.; Schat, G.; Evers, E.A.I.M.; Bickelhaupt, F., Recl. Trav. Chim. Pays-Bas, 1983, 102, 109. [all data]


Notes

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