Hexane, 2,2,5,5-tetramethyl-
- Formula: C10H22
- Molecular weight: 142.2817
- IUPAC Standard InChIKey: HXQDUXXBVMMIKL-UHFFFAOYSA-N
- CAS Registry Number: 1071-81-4
- 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: Bineopentyl; 2,2,5,5-Tetramethylhexane
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law 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°gas | -68.0 | kcal/mol | Ccb | Doering, Roth, et al., 1989 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law 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:
BS - Robert L. Brown and Stephen E. Stein
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 | 410.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 409.65 | K | N/A | Darwent and Steacie, 1949 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tboil | 410.6 | K | N/A | Howard, Mears, et al., 1947 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 258. ± 10. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 581.4 ± 0.5 | K | N/A | Daubert, 1996 | |
Tc | 581.45 | K | N/A | Ambrose and Townsend, 1968 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 21.6 ± 0.4 | atm | N/A | Daubert, 1996 | |
Pc | 21.57 | atm | N/A | Ambrose and Townsend, 1968 | Uncertainty assigned by TRC = 0.099 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10.4 | kcal/mol | N/A | Reid, 1972 | AC |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: H2 + C10H20 = C10H22
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -37.7 | kcal/mol | Chyd | Doering, Roth, et al., 1989 | liquid phase |
ΔrH° | -36.2 | kcal/mol | Chyd | Turner, Nettleton, et al., 1958 | liquid phase; solvent: Acetic acid |
By formula: H2 + C10H20 = C10H22
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.1 | kcal/mol | Chyd | Doering, Roth, et al., 1989 | liquid phase |
ΔrH° | -26.9 | kcal/mol | Chyd | Turner, Nettleton, et al., 1958 | liquid phase; solvent: Acetic acid |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction 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 by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.00018 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Doering, Roth, et al., 1989
Doering, W.E.; Roth, W.R.; Bauer, F.; Breuckmann, R.; Ebbrecht, T.; Herbold, M.; Schmidt, R.; Lennartz, H-W.; Lenoir, D.; Boese, R.,
Rotational barriers of strained olefines,
Chem. Ber., 1989, 122, 1263-1266. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Darwent and Steacie, 1949
Darwent, B.D.; Steacie, E.W.R.,
Can. J. Res., Sect. B, 1949, 27, 181. [all data]
Howard, Mears, et al., 1947
Howard, F.L.; Mears, T.W.; Fookson, A.; Pomerantz, P.; Brooks, D.B.,
Preparation and physical properties of several aliphatic hydrocarbons and intermediates,
J. Res. Natl. Bur. Stand. (U. S.), 1947, 38, 365. [all data]
Daubert, 1996
Daubert, T.E.,
Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes,
J. Chem. Eng. Data, 1996, 41, 365-372. [all data]
Ambrose and Townsend, 1968
Ambrose, D.; Townsend, R.,
Critical Temperatures and Pressures of Some Alkanes,
Trans. Faraday Soc., 1968, 64, 2622. [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]
Turner, Nettleton, et al., 1958
Turner, R.B.; Nettleton, J.E.; Perelman,
Heats of Hydrogenation. VI. Heats of hydrogenation of some substituted ethylenes,
J. Am. Chem. Soc., 1958, 80, 1430-1433. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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