Hexane, 2-methyl-
- Formula: C7H16
- Molecular weight: 100.2019
- 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
The 3d structure may be viewed using Java or Javascript. - Other names: 2-Methylhexane; Isoheptane
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Condensed phase thermochemistry data
Go To: Top, 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°liquid | -229.8 ± 1.3 | kJ/mol | Ccb | Prosen and Rossini, 1945 | ALS |
ΔfH°liquid | -231. ± 1. | kJ/mol | Ccb | Davies and Gilbert, 1941 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -4811.5 ± 1.2 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Corresponding ΔfHºliquid = -229.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -4810. ± 1. | kJ/mol | Ccb | Davies and Gilbert, 1941 | Corresponding ΔfHºliquid = -231.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 323.34 | J/mol*K | N/A | Huffman, Gross, et al., 1961 | DH |
S°liquid | 315.1 | J/mol*K | N/A | Huffman, Parks, et al., 1930 | Extrapolation below 90 K, 70.12 J/mol*K. Based on previously published specific heat data, 30PAR/HUF.; DH |
S°liquid | 314.6 | J/mol*K | N/A | Parks, Huffman, et al., 1930 | Extrapolation below 90 K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
222.92 | 298.15 | Huffman, Gross, et al., 1961 | T = 10 to 300 K.; DH |
219.2 | 292.4 | Parks, Huffman, et al., 1930 | T = 86 to 293 K. Value is unsmoothed experimental datum.; DH |
References
Go To: Top, 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.
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, Gross, et al., 1961
Huffman, H.M.; Gross, M.E.; Scott, D.W.; McCullough, I.P.,
Low temperature thermodynamic properties of six isomeric heptanes,
J. Phys. Chem., 1961, 65, 495-503. [all data]
Huffman, Parks, et al., 1930
Huffman, H.M.; Parks, G.S.; Thomas, S.B.,
Thermal data on organic compounds. VIII. The heat capacities, entropies and free energies of the isomeric heptanes,
J. Am. Chem. Soc., 1930, 52, 3241-3251. [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, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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