Hexane, 2,2,3,3-tetramethyl-
- Formula: C10H22
- Molecular weight: 142.2817
- IUPAC Standard InChIKey: RMQHJMMCLSJULX-UHFFFAOYSA-N
- CAS Registry Number: 13475-81-5
- 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: 2,2,3,3-Tetramethylhexane
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Phase change data
Go To: Top, Henry's Law data, Mass spectrum (electron ionization), 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 | 431.2 | K | N/A | Whitmore, Goldsmith, et al., 1950 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tboil | 433.0 | K | N/A | Fenske, Braun, et al., 1947 | Uncertainty assigned by TRC = 0.6 K; TRC |
Tboil | 433.46 | K | N/A | Howard, Mears, et al., 1947 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 219.15 | K | N/A | Anonymous, 1960 | Uncertainty assigned by TRC = 0.05 K; TRC |
Tfus | 219.15 | K | N/A | Anonymous, 1960 | Uncertainty assigned by TRC = 0.03 K; TRC |
Tfus | 219.12 | K | N/A | Howard, Mears, et al., 1947 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 623.0 ± 0.5 | K | N/A | Daubert, 1996 | |
Tc | 623.05 | K | N/A | Ambrose and Townsend, 1968 | Uncertainty assigned by TRC = 0.4 K; extrapolated bach to zero time to correct for decomposition; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 25.1 ± 0.4 | bar | N/A | Daubert, 1996 | |
Pc | 25.10 | bar | N/A | Ambrose and Townsend, 1968 | Uncertainty assigned by TRC = 0.40 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 45.2 | kJ/mol | N/A | Reid, 1972 | AC |
Henry's Law data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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 |
---|---|---|---|---|
0.00012 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. |
Mass spectrum (electron ionization)
Go To: Top, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | SHELL OIL CO., HOUSTON, TEXAS, USA |
NIST MS number | 27594 |
References
Go To: Top, Phase change data, Henry's Law data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Whitmore, Goldsmith, et al., 1950
Whitmore, F.C.; Goldsmith, D.P.J.; Cook, N.C.; Yarze, J.C.; Ecke, G.G.,
The Reaction of Mesityl Oxide with t-Butylmagnesium Chloride,
J. Am. Chem. Soc., 1950, 72, 53. [all data]
Fenske, Braun, et al., 1947
Fenske, M.R.; Braun, W.G.; Wiegand, R.V.; Quiggle, D.; McCormick, R.H.; Rank, D.H.,
Raman Spectra of Hydrocarbons,
Anal. Chem., 1947, 19, 700. [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]
Anonymous, 1960
Anonymous, R.,
, Natl. Bur. Stand. (U. S.), Tech. News Bull. 44, 1960. [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]
Notes
Go To: Top, Phase change data, Henry's Law data, Mass spectrum (electron ionization), 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 ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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