Pentane, 2,2,4,4-tetramethyl-
- Formula: C9H20
- Molecular weight: 128.2551
- IUPAC Standard InChI: InChI=1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3
- IUPAC Standard InChIKey: GUMULFRCHLJNDY-UHFFFAOYSA-N
- CAS Registry Number: 1070-87-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Di-tert-Butylmethane; 2,2,4,4-Tetramethylpentane
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Gas phase thermochemistry data
Go To: Top, 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 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 |
|---|---|---|---|---|---|
| ΔfH°gas | -241.5 ± 1.5 | kJ/mol | Cm | Fuchs and Peacock, 1979 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas | 430.16 | J/mol*K | N/A | Finke H.L., 1976 | GT |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 153.72 | 200. | Scott D.W., 1974 | Recommended 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 |
| 198.95 | 273.15 | ||
| 214.6 ± 0.7 | 298.15 | ||
| 215.77 | 300. | ||
| 276.56 | 400. | ||
| 331.21 | 500. | ||
| 379.07 | 600. | ||
| 420.49 | 700. | ||
| 456.47 | 800. | ||
| 488.69 | 900. | ||
| 516.72 | 1000. | ||
| 541.41 | 1100. | ||
| 563.58 | 1200. | ||
| 581.58 | 1300. | ||
| 602.50 | 1400. | ||
| 619.23 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas 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 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 |
|---|---|---|---|---|---|
| ΔcH°liquid | -6117.8 | kJ/mol | Ccb | Shtekher, Skuratov, et al., 1959 | Corresponding ΔfHºliquid = -282. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -6118.7 | kJ/mol | Ccb | Skuratov, Kozina, et al., 1958 | Corresponding ΔfHºliquid = -281. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -6119.9 ± 1.3 | kJ/mol | Ccb | Johnson, Prosen, et al., 1947 | Corresponding ΔfHºliquid = -280.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 331.8 | J/mol*K | N/A | Finke, Messerly, et al., 1976 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 266.3 | 298.15 | Finke, Messerly, et al., 1976 | T = 10 to 400 K.; DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fuchs and Peacock, 1979
Fuchs, R.; Peacock, L.A.,
Heats of vaporization and gaseous heats of formation of some five- and six-membered ring alkenes,
Can. J. Chem., 1979, 57, 2302-2304. [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]
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]
Shtekher, Skuratov, et al., 1959
Shtekher, S.M.; Skuratov, S.M.; Daukshas, V.K.; Levina, R.Ya.,
Heats of combustion of some branched alkanes,
Dokl. Akad. Nauk SSSR, 1959, 127, 812-814. [all data]
Skuratov, Kozina, et al., 1958
Skuratov, S.M.; Kozina, M.P.; Shtocher, S.M.; Prevalova, N.M.; Kamkina, L.S.; Zuko, V.D.,
Heats of combustion of cyclic compounds,
Bull. Chem. Thermodyn., 1958, 1, 21. [all data]
Johnson, Prosen, et al., 1947
Johnson, W.H.; Prosen, E.J.; Rossini, F.D.,
Heats of combustion and isomerization of six nonanes,
J. Res. NBS, 1947, 38, 419-422. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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