Butane, 2,2,3-trimethyl-
- Formula: C7H16
- Molecular weight: 100.2019
- IUPAC Standard InChI: InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3
- IUPAC Standard InChIKey: ZISSAWUMDACLOM-UHFFFAOYSA-N
- CAS Registry Number: 464-06-2
- 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: Triptan; Triptane; 2,2,3-Trimethylbutane
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | -48.96 ± 0.27 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
| ΔfH°gas | -49.21 | kcal/mol | N/A | Davies and Gilbert, 1941 | Value computed using ΔfHliquid° value of -238.0±1.0 kj/mol from Davies and Gilbert, 1941 and ΔvapH° value of 32.1 kj/mol from Prosen and Rossini, 1945.; DRB |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 26.640 | 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. Results of statistical thermodynamics calculation for 2,2,3-trimethylbutane [ Scott D.W., 1953] also agree well with experimental data at low temperatures. However, the values of S and Cp at 1500 K are 15 and 33 J/mol*K below than those given by [ Scott D.W., 1974].; GT |
| 35.961 | 273.15 | ||
| 39.02 ± 0.1 | 298.15 | ||
| 39.250 | 300. | ||
| 50.870 | 400. | ||
| 61.200 | 500. | ||
| 70.201 | 600. | ||
| 78.000 | 700. | ||
| 84.900 | 800. | ||
| 90.999 | 900. | ||
| 96.300 | 1000. | ||
| 101.00 | 1100. | ||
| 105.20 | 1200. | ||
| 109.00 | 1300. | ||
| 112.00 | 1400. | ||
| 115.00 | 1500. |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 42.739 ± 0.043 | 328.80 | Waddington G., 1947 | GT |
| 45.091 ± 0.045 | 348.85 | ||
| 47.390 ± 0.048 | 369.20 | ||
| 50.920 ± 0.050 | 400.40 | ||
| 54.541 ± 0.055 | 434.30 | ||
| 57.359 ± 0.057 | 461.80 |
References
Go To: Top, Gas phase 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]
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 D.W., 1953
Scott D.W.,
Thermodynamic functions of 2,2,3-trimethylbutane,
J. Am. Chem. Soc., 1953, 75, 2006-2007. [all data]
Waddington G., 1947
Waddington G.,
An improved flow calorimeter. Experimental vapor heat capacities and heats of vaporization of n-heptane and 2,2,3-trimethylbutane,
J. Am. Chem. Soc., 1947, 69, 22-30. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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