Heptane, 2,2,6-trimethyl-

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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil421.15KN/AMarschner and Carmody, 1951Uncertainty assigned by TRC = 3. K; TRC
Tboil421.65KN/AMarschner and Carmody, 1951Uncertainty assigned by TRC = 3. K; TRC
Tboil421.15KN/AMarschner and Carmody, 1951Uncertainty assigned by TRC = 3. K; TRC
Tboil421.35KN/AFenske, Braun, et al., 1947Uncertainty assigned by TRC = 1.5 K; TRC
Tboil422.08KN/ABrooks, Cleaton, et al., 1937Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Tfus168.15KN/ABrooks, Cleaton, et al., 1937Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Δvap11.1kcal/molN/AReid, 1972AC

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:


Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySqualane100.873.Heinzen, Soares, et al., 1999 
CapillarySqualane60.873.Chretien and Dubois, 1976 
CapillarySqualane60.873.Matukuma, 1969N2; Column length: 91.4 m; Column diameter: 0.25 mm

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillarySqualane872.Korol and Lysyuk, 1980Program: not specified

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryMethyl Silicone50.872.N/AN2; Column length: 74.6 m; Column diameter: 0.28 mm

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryOV-101873.Du and Liang, 2003Program: not specified
CapillaryPolydimethyl siloxane873.Junkes, Castanho, et al., 2003Program: not specified

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Marschner and Carmody, 1951
Marschner, R.F.; Carmody, D.R., React. of Isoalkane and Olefin Percursors Catalyzed by Sulfuric Acid, J. Am. Chem. Soc., 1951, 73, 604. [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]

Brooks, Cleaton, et al., 1937
Brooks, D.B.; Cleaton, R.B.; Carter, F.R., Paraffin Hydrocarbons Isolated from Crude Synthetic Isooctane (2,2,4-Trimethylpentane), J. Res. Natl. Bur. Stand. (U. S.), 1937, 19, 319. [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]

Heinzen, Soares, et al., 1999
Heinzen, V.E.F.; Soares, M.F.; Yunes, R.A., Semi-empirical topological method for the prediction of the chromatographic retention of cis- and trans-alkene isomers and alkanes, J. Chromatogr. A, 1999, 849, 2, 495-506, https://doi.org/10.1016/S0021-9673(99)00530-0 . [all data]

Chretien and Dubois, 1976
Chretien, J.R.; Dubois, J.-E., New Perspectives in the Prediction of Kovats Indices, J. Chromatogr., 1976, 126, 171-189, https://doi.org/10.1016/S0021-9673(01)84071-1 . [all data]

Matukuma, 1969
Matukuma, A., Retention indices of alkanes through C10 and alkenes through C8 and relation between boiling points and retention data, Gas Chromatogr., Int. Symp. Anal. Instrum. Div Instrum Soc. Amer., 1969, 7, 55-75. [all data]

Korol and Lysyuk, 1980
Korol, A.N.; Lysyuk, L.S., A New Thermodynamic Method for Calculating the Retention Indices of Isoalkanes on Squalane, Theor. Exp. Chem. (Engl. Transl.), 1980, 6, 577-584. [all data]

Du and Liang, 2003
Du, Y.; Liang, Y., Data mining for seeking accurate quantitative relationship between molecular structure and GC retention indices of alkanes by projection pursuit, Comput. Biol. Chem., 2003, 27, 3, 339-353, https://doi.org/10.1016/S1476-9271(02)00081-6 . [all data]

Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F., Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies, Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]


Notes

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