Butane, 2,2,3,3-tetramethyl-
- Formula: C8H18
- Molecular weight: 114.2285
- IUPAC Standard InChI: InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3
- IUPAC Standard InChIKey: OMMLUKLXGSRPHK-UHFFFAOYSA-N
- CAS Registry Number: 594-82-1
- 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: Ethane, hexamethyl-; Hexamethylethane; 2,2,3,3-Tetramethylbutane; (CH3)3CC(CH3)3; Tetramethylbutane
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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:
DRB - Donald R. Burgess, Jr.
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 | -54.06 | kcal/mol | N/A | Good, 1972 | Value computed using ΔfHsolid° value of -269.1±1.2 kj/mol from Good, 1972 and ΔsubH° value of 42.9 kj/mol from Prosen and Rossini, 1945.; DRB |
| ΔfH°gas | -53.99 ± 0.46 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas | 93.05 ± 0.30 | cal/mol*K | N/A | Scott D.W., 1952 | GT |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 31.040 | 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 |
| 41.260 | 273.15 | ||
| 44.7 ± 0.1 | 298.15 | ||
| 45.000 | 300. | ||
| 58.320 | 400. | ||
| 70.210 | 500. | ||
| 80.600 | 600. | ||
| 89.699 | 700. | ||
| 97.801 | 800. | ||
| 104.90 | 900. | ||
| 111.20 | 1000. | ||
| 116.80 | 1100. | ||
| 121.80 | 1200. | ||
| 126.00 | 1300. | ||
| 130.00 | 1400. | ||
| 134.00 | 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 |
|---|---|---|---|---|---|
| ΔfH°solid | -64.32 ± 0.28 | kcal/mol | Ccb | Good, 1972 | ALS |
| ΔfH°solid | -64.24 ± 0.46 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1302.93 ± 0.26 | kcal/mol | Ccb | Good, 1972 | Corresponding ΔfHºsolid = -64.31 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -1303.03 ± 0.44 | kcal/mol | Ccb | Prosen and Rossini, 1945 | Corresponding ΔfHºsolid = -64.21 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 65.430 | cal/mol*K | N/A | Scott, Douslin, et al., 1952 | DH |
| S°solid,1 bar | 61.40 | cal/mol*K | N/A | Parks, Huffman, et al., 1930 | Extrapolation below 90 K, 64.68 J/mol*K.; DH |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 57.271 | 301.60 | Scott, Douslin, et al., 1952 | T = 12 to 374 K. Value is unsmoothed experimental datum.; DH |
| 55.50 | 295.4 | Parks, Huffman, et al., 1930 | T = 89 to 295 K. Value is unsmoothed experimental datum.; 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.
Good, 1972
Good, W.D.,
The enthalpies of combustion and formation of n-octane and 2,2,3,3-tetramethylbutane,
J. Chem. Thermodyn., 1972, 4, 709-714. [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]
Scott D.W., 1952
Scott D.W.,
2,2,3,3-Tetramethylbutane: heat capacity, heats of transition, fusion and sublimation, vapor pressure, entropy and thermodynamic functions,
J. Am. Chem. Soc., 1952, 74, 883-887. [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]
Scott, Douslin, et al., 1952
Scott, D.W.; Douslin, D.R.; Gross, M.E.; Oliver, G.D.; Huffman, H.M.,
2,2,3,3-Tetramethylbutane: Heat capacity, heats of transition, fusion and sublimation, vapor pressure, entropy and thermodynamic functions,
J. Am. Chem. Soc., 1952, 74, 883-887. [all data]
Parks, Huffman, et al., 1930
Parks, G.S.; Huffman, H.M.; Thomas, S.B.,
Thermal data on organic compounds. VI. The heat capacities, entropies and free energies of some saturated, non-benzenoid hydrocarbons,
J. Am. Chem. Soc., 1930, 52, 1032-1041. [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,solid Constant pressure heat capacity of solid S°gas Entropy of gas at standard conditions S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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