- Formula: C7H16
- Molecular weight: 100.2019
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: GXDHCNNESPLIKD-UHFFFAOYSA-N
- CAS Registry Number: 591-76-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 2-Methylhexane; Isoheptane
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Gas phase thermochemistry data
Go To: Top, References, Notes
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
|fH°gas||-195.0 ± 1.3||kJ/mol||Ccb||Prosen and Rossini, 1945||ALS|
|fH°gas||-196.2||kJ/mol||N/A||Davies and Gilbert, 1941||Value computed using «DELTA»fHliquid° value of -231.0±1.0 kj/mol from Davies and Gilbert, 1941 and «DELTA»vapH° value of 34.8 kj/mol from Prosen and Rossini, 1945.; DRB|
|S°gas||419.99||J/mol*K||N/A||Huffman H.M., 1961||GT|
Constant pressure heat capacity of gas
|Cp,gas (J/mol*K)||Temperature (K)||Reference||Comment|
|118.57||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|
|164.5 ± 0.2||298.15|
Go To: Top, Gas phase thermochemistry data, Notes
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]
Huffman H.M., 1961
Huffman H.M., Low temperature thermodynamic properties of six isomeric heptanes, J. Phys. Chem., 1961, 65, 495-503. [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]
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions fH°gas Enthalpy of formation of gas at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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