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Heptadecane, 3-methyl-

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Phase change data

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, 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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus267.0KN/ATerres, Gebert, et al., 1954Uncertainty assigned by TRC = 2. K; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
65.6456.AStephenson and Malanowski, 1987Based on data from 441. - 583. K. See also Terres, Brinkmann, et al., 1959.; 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:


Mass spectrum (electron ionization)

Go To: Top, Phase change data, Gas Chromatography, 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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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 192245

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101180.1772.Kusmierz, Malinski, et al., 1985Column length: 22. m; Column diameter: 0.3 mm
CapillaryApiezon L180.1768.4Kusmierz, Malinski, et al., 1985He; Column length: 20. m; Column diameter: 0.3 mm
CapillarySE-52180.1771.2Kusmierz, Malinski, et al., 1985He; Column length: 40. m; Column diameter: 0.3 mm

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1771.Kenig, Simons, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Program: 60C(1.5min) => 20C/min => 130C => 4C/min => 315C (90min)

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M150.1769.2Kusmierz, Malinski, et al., 1985He; Column length: 30. m; Column diameter: 0.25 mm

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

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Column type Active phase I Reference Comment
CapillaryCross-Linked Methylsilicone1774.Khorasheh, Gray, et al., 19895. K/min; Tstart: 40. C; Tend: 300. C
CapillaryDB-11775.Khorasheh, Gray, et al., 198935. C @ 3. min, 3. K/min; 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-51772.Zaikin and Borisov, 2002He; Column length: 30. m; Column diameter: 0.25 mm; Program: 30C => 5K/min=120C => 10C/min => 270C

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

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Column type Active phase I Reference Comment
CapillaryDB-Wax1754.Shiratsuchi, Shimoda, et al., 199460. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-11773.2Krkosova, Kubinec, et al., 2007100. m/0.32 mm/0.25 «mu»m, Helium, 5. K/min, 310. C @ 5. min; Tstart: 30. C
CapillaryDB-11774.Katritzky, Chen, et al., 200030. m/0.32 mm/0.25 «mu»m; Tstart: 60. C; Tend: 320. C
CapillaryDB-51770.Köster, Volkman, et al., 199930. m/0.25 mm/0.25 «mu»m, 60. C @ 2. min, 3. K/min, 305. C @ 50. min
CapillaryOV-11765.Ramaroson-Raonizafinimanana, Gaydou, et al., 199725. m/0.31 mm/0.15 «mu»m, H2, 3. K/min; Tstart: 70. C; Tend: 220. C

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

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane1774.Junkes, Castanho, et al., 2003Program: not specified
CapillarySqualane1767.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.

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

Kusmierz, Malinski, et al., 1985
Kusmierz, J.; Malinski, E.; Czerwiec, W.; Szafranek, J., Kováts retention indices of high-molecular-weight monomethyl-, cyclopentyl-, cyclohexyl- and phenylalkanes, J. Chromatogr., 1985, 331, 219-228, https://doi.org/10.1016/0021-9673(85)80027-3 . [all data]

Kenig, Simons, et al., 2005
Kenig, F.; Simons, D.-J.H.; Crich, D.; Cowen, J.P.; Ventura, G.T.; Rehbein-Khalily, T., Structure and distribution of branched aliphatic alkanes with quaternary carbon atoms in Cenomanian and Turonian black shales of Pasquia Hills (Saskatchewan, Canada), Org. Geochem., 2005, 36, 1, 117-138, https://doi.org/10.1016/j.orggeochem.2004.06.014 . [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]

Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y., Volatile flavor compounds in spray-dried skim milk powder, J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028 . [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]

Ramaroson-Raonizafinimanana, Gaydou, et al., 1997
Ramaroson-Raonizafinimanana, B.; Gaydou, E.M.; Bombarda, I., Hydrocarbons from three vanilla bean species: V. fragrans, V. madagascariensis, and V. tahitensis, J. Agric. Food Chem., 1997, 45, 7, 2542-2545, https://doi.org/10.1021/jf960927b . [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