Methyl hexadec-9-enoate
- Formula: C17H32O2
- Molecular weight: 268.4348
- IUPAC Standard InChI: InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8+
- IUPAC Standard InChIKey: IZFGRAGOVZCUFB-CMDGGOBGSA-N
- CAS Registry Number: 10030-74-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: Methyl palmitelaidate; (E)-9-hexadecenoic acid methyl ester; 9-Hexadecenoic acid, methyl ester; Methyl 9-hexadecenoate; 9-Hexadecenoic acid, (E), methyl ester; Methyl trans-9-hexadecenoate
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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 |
|---|---|---|---|---|---|
| ΔfH°liquid | -159.03 | kcal/mol | Chyd | Rogers and Siddiqui, 1975 |
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
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By formula: C17H32O2 + H2 = C17H34O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -32.43 ± 0.60 | kcal/mol | Chyd | Rogers and Siddiqui, 1975 | liquid 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 | 333999 |
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
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SE-30 | 200. | 1892. | Golovnya, Uralets, et al., 1976 | Gas Chrom Q (80-100 mesh); Column length: 1.5 m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1916.7 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
| Capillary | DB-5 | 1912. | Takacs, Gries, et al., 2001 | Column length: 30. m; Program: 100C(1min) => 20C/min => 210C => 5C/min => 240C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-Wax | 2238. | Ledauphin, Saint-Clair, et al., 2004 | 30. m/0.25 mm/0.15 μm, He, 35. C @ 5. min, 5. K/min, 220. C @ 10. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1895. | Wu, Krings, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min |
| Capillary | DB-5 | 1907. | Wang, Jin, et al., 1992 | 30. m/0.25 mm/0.215 μm, N2, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-Wax | 2237. | Wu, Krings, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min |
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 317.66 | Wang, Jin, et al., 1992 | 30. m/0.25 mm/0.215 μm, N2, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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.
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]
Golovnya, Uralets, et al., 1976
Golovnya, R.V.; Uralets, V.P.; Kuzmenko, T.E.,
Characterization of fatty acid methyl esters by gas chromatography on siloxane liquid phases,
J. Chromatogr., 1976, 121, 1, 118-121, https://doi.org/10.1016/S0021-9673(00)82312-2
. [all data]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Takacs, Gries, et al., 2001
Takacs, S.; Gries, G.; Gries, R.,
Communication ecology of webbing clothes moth: 4. Identification of male- and female-produced pheromones,
Chemoecology, 2001, 11, 4, 153-159, https://doi.org/10.1007/PL00001846
. [all data]
Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D.,
Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y
. [all data]
Wu, Krings, et al., 2005
Wu, S.; Krings, U.; Zorn, H.; Berger, R.G.,
Volatile compounds from the fruiting bodies of beefsteak fungus Fistulina hepatica (Schaeffer: Fr.) Fr.,
Food Chem., 2005, 92, 2, 221-226, https://doi.org/10.1016/j.foodchem.2004.07.013
. [all data]
Wang, Jin, et al., 1992
Wang, X.; Jin, Z.; Xu, X.,
Analysis of fatty acids in bacteria by using gas chromatographic retention indices,
Chin. J. Chromatogr., 1992, 10, 2, 92-94. [all data]
Notes
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- Symbols used in this document:
ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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