Hexane, 2,2,3-trimethyl-
- Formula: C9H20
- Molecular weight: 128.2551
- IUPAC Standard InChIKey: CBVFSZDQEHBJEQ-UHFFFAOYSA-N
- CAS Registry Number: 16747-25-4
- 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: 2,2,3-Trimethylhexane
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Condensed phase thermochemistry data
Go To: Top, Phase change 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -282.7 ± 0.92 | kJ/mol | Ccr | Good, 1969 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -6117.22 ± 0.75 | kJ/mol | Ccr | Good, 1969 | Corresponding ΔfHºliquid = -282.7 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 407.4 | K | N/A | Maretina and Petrov, 1961 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tboil | 404.85 | K | N/A | Braun, Spooner, et al., 1950 | Uncertainty assigned by TRC = 1. K; TRC |
Tboil | 406.55 | K | N/A | Schlesman, 1943 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 41.7 | kJ/mol | N/A | Reid, 1972 | See also Labbauf, Greenshields, et al., 1961.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
42.2 | 288. | IP | Osborn and Douslin, 1974 | Based on data from 238. to 303. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
238. to 303. | 4.41434 | 1592.354 | -42.627 | Osborn and Douslin, 1974 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Good, 1969
Good, W.D.,
Enthalpies of combustion and formation of 11 isomeric nonanes,
J. Chem. Eng. Data, 1969, 14, 231-235. [all data]
Maretina and Petrov, 1961
Maretina, I.A.; Petrov, A.A.,
Conjugated Systems CXXIX. Enyne Compounds XLIX. The Order of Addition of Tertiary Alkyl Halides to Propenyl-, Isopropenyl, and Vinylmethylacetylenes,
Zh. Obshch. Khim., 1961, 31, 419. [all data]
Braun, Spooner, et al., 1950
Braun, W.G.; Spooner, D.F.; Fenske, M.R.,
Raman spectra hydrocarbons and oxygenated compounds,
Anal. Chem., 1950, 22, 1074. [all data]
Schlesman, 1943
Schlesman, C.H.,
Personal Commun., Socony Vacuum Oil Co., Paulsboro, 1943. [all data]
Reid, 1972
Reid, Robert C.,
Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00,
AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637
. [all data]
Labbauf, Greenshields, et al., 1961
Labbauf, A.; Greenshields, J.B.; Rossini, F.D.,
Heats of formation, combustion, and vaporization of the 35 nonanes and 75 decanes,
J. Chem. Eng. Data, 1961, 6, 261-263. [all data]
Osborn and Douslin, 1974
Osborn, Ann G.; Douslin, Donald R.,
Vapor-pressure relations for 15 hydrocarbons,
J. Chem. Eng. Data, 1974, 19, 2, 114-117, https://doi.org/10.1021/je60061a022
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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