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Heptadecanoic acid, ethyl ester

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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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
458.20.007Weast and Grasselli, 1989BS

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
36.2298.4King and Garner, 1936AC

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
4.946298.3crystaline, IIcrystaline, IKing and Garner, 1936, 2Heat of transition at meltin point.; DH

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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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 Japan AIST/NIMC Database- Spectrum MS-NW-5915
NIST MS number 232927

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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
CapillarySE-30180.2074.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30200.2078.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30220.2082.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-351120.2342.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351140.2348.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351160.2343.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351180.2359.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351200.2357.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351220.2370.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm

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

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Column type Active phase I Reference Comment
CapillarySE-302077.Korhonen, 1985N2, 6. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 320. C

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

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Column type Active phase I Reference Comment
CapillaryHP-52098.Isidorov, Krajewska, et al., 200130. m/0.25 mm/0.25 «mu»m, He; Program: 50C => 6C/min => 100C => 4C/min => 280C

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

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Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB2349.Mahadevan and Farmer, 200660. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillarySupelcowax-102330.Chung, Fung, et al., 200560. m/0.25 mm/0.25 «mu»m, 35. C @ 5. min, 6. K/min, 195. C @ 60. min
CapillaryZB-Wax2355.Ledauphin, Saint-Clair, et al., 200430. m/0.25 mm/0.15 «mu»m, He, 35. C @ 10. min, 1.8 K/min, 220. C @ 10. min
CapillaryOV-3512349.Korhonen, 1985N2, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 230. C

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

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Column type Active phase I Reference Comment
CapillaryDB-Wax2340.Ferrari, Lablanquie, et al., 200460. m/0.25 mm/0.25 «mu»m, He; Program: 35C(0.7min) => 20C/min => 70C => 4C/min => 240C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-52089.Woerdenbag, Windono, et al., 200430. m/0.249 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 300. C
CapillaryUltra-12075.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax2383.Choi, 200660. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax2365.Choi, 200460. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min

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]

King and Garner, 1936
King, A. Millicent; Garner, William E., 297. The heats of crystallisation of methyl and ethyl esters of monobasic fatty acids, J. Chem. Soc., 1936, 1372, https://doi.org/10.1039/jr9360001372 . [all data]

King and Garner, 1936, 2
King, A.M.; Garner, W.E., The heats of crystallization of methyl and ethyl esters of monobasic fatty acids, 1936, J. [all data]

Korhonen, 1985
Korhonen, I.O.O., Gas-liquid chromatographic analyses. XLIII. Retention increments for 2-chloro-, 2,2-dichloro- and 2,2,2-trichloroethyl esters of aliphatic C2-C20 n-alkanoic acids on SE-30 and OV-351 capillary columns, J. Chromatogr., 1985, 329, 43-56, https://doi.org/10.1016/S0021-9673(01)81894-X . [all data]

Isidorov, Krajewska, et al., 2001
Isidorov, V.A.; Krajewska, U.; Dubis, E.N.; Jdanova, M.A., Partition coefficients of alkyl aromatic hydrocarbons and esters in a hexane-acetonitrile system, J. Chromatogr. A, 2001, 923, 1-2, 127-136, https://doi.org/10.1016/S0021-9673(01)00929-3 . [all data]

Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L., Key Odor Impact Compounds in Three Yeast Extract Pastes, J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x . [all data]

Chung, Fung, et al., 2005
Chung, H.Y.; Fung, P.K.; Kim, J.-S., Aroma impact components in commercial plain sufu, J. Agric. Food Chem., 2005, 53, 5, 1684-1691, https://doi.org/10.1021/jf048617d . [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]

Ferrari, Lablanquie, et al., 2004
Ferrari, G.; Lablanquie, O.; Cantagrel, R.; Ledauphin, J.; Payot, T.; Fournier, N.; Guichard, E., Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation, J. Agric. Food Chem., 2004, 52, 18, 5670-5676, https://doi.org/10.1021/jf049512d . [all data]

Woerdenbag, Windono, et al., 2004
Woerdenbag, H.J.; Windono, T.; Bos, R.; Riswan, S.; Quax, W.J., Composition of the essential oils of Kaempferia rotunda L. and Kaempferia angustifolia Roscoe rhizomes from Indonesia, Flavour Fragr. J., 2004, 19, 2, 145-148, https://doi.org/10.1002/ffj.1284 . [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]

Choi, 2006
Choi, H.-S., Headspace analyses of fresh leaves and stems of Angelica gigas Nakai, a Korean medicinal herb, Flavour Fragr. J., 2006, 21, 4, 604-608, https://doi.org/10.1002/ffj.1602 . [all data]

Choi, 2004
Choi, H.-S., Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME, J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p . [all data]


Notes

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