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9-Hexadecenoic acid, methyl ester, (Z)-

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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
Deltafliquid-674.29kJ/molChydRogers and Siddiqui, 1975 
Quantity Value Units Method Reference Comment
Deltacliquid-10547.9 ± 1.5kJ/molCcbFreedman, Bagby, et al., 1989Corresponding «DELTA»fliquid = -715.09 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
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Deltavap96.4 ± 0.7kJ/molCGCLipkind, Kapustin, et al., 2007AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
454.70.001Aldrich Chemical Company Inc., 1990BS

Reaction 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

9-Hexadecenoic acid, methyl ester, (Z)- + Hydrogen = Hexadecanoic acid, methyl ester

By formula: C17H32O2 + H2 = C17H34O2

Quantity Value Units Method Reference Comment
Deltar-122.6 ± 1.0kJ/molChydRogers and Siddiqui, 1975liquid phase; solvent: n-Hexane

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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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 NIST Mass Spectrometry Data Center
NIST MS number 333193

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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
CapillaryCP Sil 5 CB240.1884.Hanai and Hong, 198930. m/0.25 mm/0.25 «mu»m
CapillaryDB-1240.1896.Hanai and Hong, 198930. m/0.25 mm/0.25 «mu»m
PackedSE-30200.1888.Golovnya and Kuzmenko, 1977He, Chromosorb W (80-100 mesh); Column length: 1.5 m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCP-Wax240.2242.Hanai and Hong, 198925. m/0.25 mm/0.22 «mu»m
CapillaryDB-Wax240.2277.Hanai and Hong, 198925. m/0.25 mm/0.22 «mu»m

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1932.Pino, Mesa, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillarySPB-51912.Píno, Marbot, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryUltra-11885.86Richmond and Pombo-Villar, 199725. m/0.32 mm/0.52 «mu»m, 15. K/min, 320. C @ 10. min; Tstart: 35. C
CapillaryBP-11881.Tan, Wilkins, et al., 1989H2, 40. C @ 2. min, 4. K/min, 240. C @ 75. min; Column length: 12. m

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

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Column type Active phase I Reference Comment
CapillaryVF-5MS1911.7Tret'yakov, 200730. m/0.25 mm/0.25 «mu»m, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C

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

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Column type Active phase I Reference Comment
CapillaryAT-Wax2225.Pino, Almora, et al., 200360. m/0.32 mm/0.25 «mu»m, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51879.Pattiram, Lasekan, et al., 201130. m/0.32 mm/0.25 «mu»m, Helium, 2. K/min; Tstart: 35. C; Tend: 200. C
CapillaryRTx-11895.Dib, Bendahou, et al., 201060. m/0.22 mm/0.25 «mu»m, Helium, 2. K/min, 230. C @ 35. min; Tstart: 60. C
CapillaryHP-51890.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryUltra-11882.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C
CapillaryOV-1011886.Ehrhardt, Osterroht, et al., 1980Hydrogen, 60. C @ 0.5 min, 4. K/min; Column length: 30. m; Column diameter: 0.35 mm; Tend: 270. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryRTx-11889.Dib, Bendahou, et al., 201060. m/0.22 mm/0.25 «mu»m, Helium; Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryZB-Wax2236.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax2237.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryTC-Wax2245.Shuichi, Masazumi, et al., 199680. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

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

Rogers and Siddiqui, 1975
Rogers, D.W.; Siddiqui, N.A., Heats of hydrogenation of large molecules. I. Esters of unsaturated fatty acids, J. Phys. Chem., 1975, 79, 574-577. [all data]

Freedman, Bagby, et al., 1989
Freedman, B.; Bagby, M.O.; Khoury, H., Correlation of heats of combustion with empirical formulas for fatty alcohols, J. Am. Oil Chem. Soc., 1989, 66, 595-596. [all data]

Lipkind, Kapustin, et al., 2007
Lipkind, Dmitry; Kapustin, Yaroslav; Umnahanant, Patamaporn; Chickos, James S., The vaporization enthalpies and vapor pressures of a series of unsaturated fatty acid methyl esters by correlation gas chromatography, Thermochimica Acta, 2007, 456, 2, 94-101, https://doi.org/10.1016/j.tca.2007.02.008 . [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Hanai and Hong, 1989
Hanai, T.; Hong, C., Structure-retention correlation in CGC, J. Hi. Res. Chromatogr., 1989, 12, 5, 327-332, https://doi.org/10.1002/jhrc.1240120517 . [all data]

Golovnya and Kuzmenko, 1977
Golovnya, R.V.; Kuzmenko, T.E., Thermodynamic evaluation of the interaction of fatty acid methyl esters with polar and non-polar stationary phases, based on their retention indices, Chromatographia, 1977, 10, 9, 545-548, https://doi.org/10.1007/BF02262915 . [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [all data]

Píno, Marbot, et al., 2004
Píno, J.A.; Marbot, R.; Vázquez, C., Volatile components of the fruits of Vangueria madagascariensis J. F. Gmel. from Cuba, J. Essent. Oil Res., 2004, 16, 4, 302-304, https://doi.org/10.1080/10412905.2004.9698727 . [all data]

Richmond and Pombo-Villar, 1997
Richmond, R.; Pombo-Villar, E., Short communication. Gas chromatography-mass spectrometry coupled with pseudo-Sadtler retention indices, for the identification of components in the essential oil of Curcuma longa L., J. Chromatogr. A, 1997, 760, 2, 303-308, https://doi.org/10.1016/S0021-9673(96)00802-3 . [all data]

Tan, Wilkins, et al., 1989
Tan, S.T.; Wilkins, A.L.; Holland, P.T.; McGhie, T.K., Extractives from New Zealand unifloral honeys. 2. Degraded carotenoids and other substances from heather honey, J. Agric. Food Chem., 1989, 37, 5, 1217-1221, https://doi.org/10.1021/jf00089a004 . [all data]

Tret'yakov, 2007
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]

Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R., Volatile components of papaya (Carica papaya L., maradol variety) fruit, Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248 . [all data]

Pattiram, Lasekan, et al., 2011
Pattiram, P.D.; Lasekan, O.; Tan, C.P.; Zaidul, I.S.M., Identification of the aroma-active constituents of the essential oils of Water Dropwort (Oenanthe javanica) and Kacip Fatimah (Labisia pumilia), Int. Food Res. J., 2011, 18, 3, 1021-1026. [all data]

Dib, Bendahou, et al., 2010
Dib, M.A.; Bendahou, M.; Bendiabdellah, A.; Djabou, N.; Allali, H.; Tabti, B.; Paolini, J.; Costa, J., Partial chemical composition and antimicrobial activity of Daucus crinitus Desf. extracts, Grasas y Aceites, 2010, 61, 3, 271-278, https://doi.org/10.3989/gya.122609 . [all data]

Okumura, 1991
Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333 . [all data]

Ehrhardt, Osterroht, et al., 1980
Ehrhardt, M.; Osterroht, C.; Petrick, G., Fatty-acid methyl esters dissolved in seawater and associated with suspended particulate material, Marine Chem., 1980, 10, 1, 67-76, https://doi.org/10.1016/0304-4203(80)90059-6 . [all data]

Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F., Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki, Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References