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Heptadecane, 2-methyl-

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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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil584.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus278.KN/ATerres, Gebert, et al., 1954Uncertainty assigned by TRC = 3. K; TRC
Tfus278.KN/ALanda and Riedl, 1930Uncertainty assigned by TRC = 3. K; TRC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
451.20.020Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
67.8457.AStephenson and Malanowski, 1987Based on data from 442. - 581. K. See also Terres, Brinkmann, et al., 1959.; 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
393.0 - 579.75.718873174.568-23.541Stull, 1947Coefficents calculated by NIST from author's data.

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:


Mass spectrum (electron ionization)

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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

Spectrum

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Mass 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 Chemical Concepts
NIST MS number 164729

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Gas Chromatography

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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCross-Linked Methylsilicone1764.Khorasheh, Gray, et al., 19895. K/min; Tstart: 40. C; Tend: 300. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-51765.Zaikin and Borisov, 2002He; Column length: 30. m; Column diameter: 0.25 mm; Program: 30C => 5K/min=120C => 10C/min => 270C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS1764.Radulovic, Blagojevic, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryOV-11765.3Krkosova, Kubinec, et al., 2007100. m/0.32 mm/0.25 «mu»m, Helium, 5. K/min, 310. C @ 5. min; Tstart: 30. C
CapillaryDB-11766.Katritzky, Chen, et al., 200030. m/0.32 mm/0.25 «mu»m; Tstart: 60. C; Tend: 320. C
CapillaryDB-51765.Köster, Volkman, et al., 199930. m/0.25 mm/0.25 «mu»m, 60. C @ 2. min, 3. K/min, 305. C @ 50. min

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

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane1766.Junkes, Castanho, et al., 2003Program: not specified
CapillarySqualane1760.Petrov, 1984Program: not specified

References

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

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]

Terres, Gebert, et al., 1954
Terres, E.; Gebert, F.; Fischer, D.; Modak, G., Brennst.-Chem., 1954, 35, 263-9. [all data]

Landa and Riedl, 1930
Landa, S.; Riedl, R., Synthesis of some higher isoparaffins, Collect. Czech. Chem. Commun., 1930, 2, 520. [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]

Terres, Brinkmann, et al., 1959
Terres, E.; Brinkmann, L.; Fischer, D.; Hüllstrung, D.; Loz, W.; Weisbrod, G., Brennst.-Chem., 1959, 40, 279. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Khorasheh, Gray, et al., 1989
Khorasheh, F.; Gray, M.R.; Selucky, M.L., Correlation for Kováts retention index of C9-C26 monoalkyl and polymethyl alkanes and alkenes, J. Chromatogr., 1989, 481, 1-16, https://doi.org/10.1016/S0021-9673(01)96747-0 . [all data]

Zaikin and Borisov, 2002
Zaikin, V.G.; Borisov, R.S., Chromatographic-mass spectrometric analysis of Fishcer-Tropsch synthesis products, J. Anal. Chem. USSR (Engl. Transl.), 2002, 57, 6, 544-551. [all data]

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

Krkosova, Kubinec, et al., 2007
Krkosova, Z.; Kubinec, R.; Addova, G.; Jurdakova, H.; Blasko, J.; Ostrovsky, I.; Sojak, L., Gas chromatographic - mass spectrometric characterization of monomethylalkanes from fuel diesel, Petroleum Coal, 2007, 49, 3, 51-62. [all data]

Katritzky, Chen, et al., 2000
Katritzky, A.R.; Chen, K.; Maran, U.; Carlson, D.A., QSPR Correlation and predictions of GC retention indexes for methyl-branched hydrocarbons produced by insects, Anal. Chem., 2000, 72, 1, 101-109, https://doi.org/10.1021/ac990800w . [all data]

Köster, Volkman, et al., 1999
Köster, J.; Volkman, J.K.; Rullkötter, J.; Scholz-Böttcher, B.M.; Rethmeier, J.; Fishcer, U., Mono-, di- and trimethyl-branched alkanes in cultures of the filamentous cyanobacterium Calothrix scopulorum, Org. Geochem., 1999, 30, 11, 1367-1379, https://doi.org/10.1016/S0146-6380(99)00110-2 . [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]

Petrov, 1984
Petrov, A.A., Hydrocarbons of petroleum, Nauka (publishing house), Moscow, 1984, 263. [all data]


Notes

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References