Hexane, 2,3,3-trimethyl-

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Condensed phase thermochemistry data

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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
Δfliquid-281.1 ± 1.0kJ/molCcrGood, 1969 
Quantity Value Units Method Reference Comment
Δcliquid-6118.81 ± 0.84kJ/molCcrGood, 1969Corresponding Δfliquid = -281.1 kJ/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

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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
Tboil410.9KN/AWeast and Grasselli, 1989BS
Tboil409.45KN/ALevina, Tantsyreva, et al., 1952Uncertainty assigned by TRC = 0.5 K; TRC
Tboil409.95KN/ABuck, Elsner, et al., 1948Uncertainty assigned by TRC = 0.4 K; TRC
Tboil410.75KN/ACline, 1939Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tfus156.35KN/AStreiff, Zimmerman, et al., 1948Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Δvap42.1kJ/molN/AReid, 1972See also Labbauf, Greenshields, et al., 1961.; AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
44.2253.AStephenson and Malanowski, 1987Based on data from 238. to 303. K.; AC
39.4303.AStephenson and Malanowski, 1987Based on data from 288. to 422. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Henry's Law data

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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) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.00017 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.

IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, IR Spectrum, 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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Mass spectrum
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Additional Data

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Due to licensing restrictions, this spectrum cannot be downloaded.

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.
NIST MS number 2641

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References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, IR Spectrum, 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.

Good, 1969
Good, W.D., Enthalpies of combustion and formation of 11 isomeric nonanes, J. Chem. Eng. Data, 1969, 14, 231-235. [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]

Levina, Tantsyreva, et al., 1952
Levina, R.Ya.; Tantsyreva, T.I.; Fainzil'berg, A.A., Synthesis of Hydrocarbons XX. Synthesis of Alkenes and Alkanes with A Quarternary Carbon Atom, Zh. Obshch. Khim., 1952, 22, 571. [all data]

Buck, Elsner, et al., 1948
Buck, F.R.; Elsner, B.B.; Forbes, E.J.; Morrell, S.H.; Smith, J.C.; Wallsgrove, E.R., The Use of Zinc Alkyls in the Preparation of Hydrocarbons with a Quaternary Carbon Atom, J. Inst. Pet., 1948, 34, 339. [all data]

Cline, 1939
Cline, E.T., The Synthesis of Type III and Type V Olefins from Dimethylbutadien- monohydrobromide, Ph.D. Dissertation, Ohio State Univ., Columbus, OH, 1939. [all data]

Streiff, Zimmerman, et al., 1948
Streiff, A.J.; Zimmerman, J.C.; Soule, L.F.; Butt, M.T.; Sedlak, V.A.; Willingham, C.B.; Rossini, F.D., Purification, Purity, and Freezing Points of 30 Hydrocarbons of the API-Standard and API-NBS Series, J. Res. Natl. Bur. Stand. (U. S.), 1948, 41, 323. [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]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]


Notes

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