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1-Tetradecyl acetate

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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, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus287.15KN/ARuhoff and Reid, 1933Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Deltavap89.9 ± 0.2kJ/molGSKrasnykh, Verevkin, et al., 2006Based on data from 303. - 340. K.; AC
Deltavap91.7kJ/molGCKoutek, Hoskovec, et al., 1997Based on data from 353. - 398. K. See also Ova, Koultek, et al., 2000.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
72.7426.AStephenson and Malanowski, 1987Based on data from 411. - 462. K.; 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 NIST Mass Spectrometry Data Center
NIST MS number 351776

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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-30180.1797.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30200.1795.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30220.1793.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.33 mm
PackedOV-1200.1800.Yamaoka, Shiraishi, et al., 1985He, Chromosorb W AW DMCS (80-100 mesh); Column length: 3. m
PackedOV-101130.1780.Berezkin and Returnsky, 1984Chromaton N-AW; Column length: 1. m
CapillaryOV-101200.1790.6Komárek, Hornová, et al., 1982N2; Column length: 15. m; Column diameter: 0.22 mm
PackedApiezon L190.1757.Nedopekina, Kovalev, et al., 1981N2, Chromatron N-AW-HMDS; Column length: 2.5 m
PackedSE-30180.1790.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-351160.2094.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351180.2103.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351200.2100.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351220.2106.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
PackedCarbowax 20M180.2062.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m

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

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Column type Active phase I Reference Comment
CapillaryDB-51811.Marques, McElfresh, et al., 200030. m/0.25 mm/0.25 «mu»m, 100. C @ 1. min, 5. K/min, 275. C @ 3. min

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

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Column type Active phase I Reference Comment
CapillaryVF-5MS1806.2Zheng and White, 200830. m/0.25 mm/0.25 «mu»m, He; Program: not specified
CapillaryHP-51810.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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2087.Marques, McElfresh, et al., 200030. m/0.32 mm/0.25 «mu»m, 100. C @ 1. min, 5. K/min; Tend: 240. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-11796.Ouattara, Koudou, et al., 200730. m/0.25 mm/0.15 «mu»m, 3. K/min; Tstart: 60. C; Tend: 220. C
CapillaryUltra-11793.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryBPX-51812.se Souza, Cardeal, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min)
CapillaryBPX-51811.se Souza, Cardeal, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP-11792.Wakamura, Hattori, et al., 199915. m/0.25 mm/0.25 «mu»m, He; Program: 50 0C (1 min) 20 0C/min -> 100 0C 5 0C/min -> 230 0C (5 min)

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2098.Wakamura, Hattori, et al., 199930. m/0.25 mm/0.25 «mu»m, He; Program: 50 0C (1 min) 20 0C/min -> 100 0C 5 0C/min -> 230 0C (5 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.

Ruhoff and Reid, 1933
Ruhoff, J.R.; Reid, E.E., A group of isomeric esters, J. Am. Chem. Soc., 1933, 55, 3825-8. [all data]

Krasnykh, Verevkin, et al., 2006
Krasnykh, Eugen L.; Verevkin, Sergey P.; Koutek, Bohumir; Doubsky, Jan, Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates, The Journal of Chemical Thermodynamics, 2006, 38, 6, 717-723, https://doi.org/10.1016/j.jct.2005.08.003 . [all data]

Koutek, Hoskovec, et al., 1997
Koutek, Bohumír; Hoskovec, Michal; Vrkocová, Pavlína; Feltl, Ladislav, Gas chromatographic determination of vapour pressures of pheromone-like compounds IV. Acetates, a reinvestigation, Journal of Chromatography A, 1997, 759, 1-2, 93-109, https://doi.org/10.1016/S0021-9673(96)00775-3 . [all data]

Ova, Koultek, et al., 2000
Ova, P.V.; Koultek, B.; Hoskovec, M., Practice Oriented Results on Use and Production of Neem Ingredients and Pheromones VI, H. Kleeberg and C.P.W. Zebitz, ed(s)., Druck and Graphic, Giessen, 2000, 211-218. [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]

Haken and Korhonen, 1986
Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXXII. Capillary chromatography of C1-C18 monochlorinated n-alkyl acetates, J. Chromatogr., 1986, 356, 79-94, https://doi.org/10.1016/S0021-9673(00)91468-7 . [all data]

Yamaoka, Shiraishi, et al., 1985
Yamaoka, R.; Shiraishi, Y.; Ueno, T.; Kuwahara Y.; Fukami, H., Structure elucidation of koiganal I and II, the sex pheromones of the webbing clothes moth, using capillary GC/MS, Mass Spectroscopy, 1985, 33, 3, 189-195. [all data]

Berezkin and Returnsky, 1984
Berezkin, V.G.; Returnsky, V.N., Calculation of invariant retention indices for a series of aliphatic alcohols and acetates by consideration of adsorption at the interface, J. Chromatogr., 1984, 292, 1, 9-17, https://doi.org/10.1016/S0021-9673(01)96185-0 . [all data]

Komárek, Hornová, et al., 1982
Komárek, K.; Hornová, L.; Churácek, J., Glass capillary gas chromatography of homologous series of esters. Separation of homologous series of esters of halogenated carboxylic acids on a glass capillary column with the non-polar stationary silicone phase OV-101, J. Chromatogr., 1982, 244, 1, 142-147, https://doi.org/10.1016/S0021-9673(00)80131-4 . [all data]

Nedopekina, Kovalev, et al., 1981
Nedopekina, S.F.; Kovalev, B.G.; Kost, A.N., Use of Kovats indices for idetifying sex pheromones, Chem. Nat. Compd. (Engl. Transl.), 1981, 17, 4, 376-380, https://doi.org/10.1007/BF01185272 . [all data]

Zarazir, Chovin, et al., 1970
Zarazir, D.; Chovin, P.; Guiochon, G., Identification of hydroxylic compounds and their derivatives by gas chromatography, Chromatographia, 1970, 3, 4, 180-195, https://doi.org/10.1007/BF02269018 . [all data]

Marques, McElfresh, et al., 2000
Marques, F.A.; McElfresh, J.S.; Millar, J.G., Kováts retention indexes of monounsaturated C12, C14, and C16 alcohols, acetates and aldehydes commonly found in lepidopteran pheromone blends, J. Braz. Chem. Soc., 2000, 11, 6, 592-599, https://doi.org/10.1590/S0103-50532000000600007 . [all data]

Zheng and White, 2008
Zheng, Y.; White, E., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [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]

Ouattara, Koudou, et al., 2007
Ouattara, L.; Koudou, J.; Obame, L.C.E.; Karou, D.S.; Traore, A.; Bessiere, J.M., Chemical composition and antibacterial activity of Cochlospermum planchoni Hook. f. ex Planch essential oil from Burkina Faso, Pakistan J. Biol. Sci., 2007, 10, 22, 4177-4179, https://doi.org/10.3923/pjbs.2007.4177.4179 . [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]

se Souza, Cardeal, et al., 2009
se Souza, P.P.; Cardeal, Z.DeL.; Augusti, R.; Morrison, P.; Marriott, P.J., Determination of volatile compounds in Brazilian distilled cachaca by using comprehensive two-dimensional gas chromatography and effects of production pathways, J. Chromatogr. A., 2009, 1216, 14, 2881-2890, https://doi.org/10.1016/j.chroma.2008.10.061 . [all data]

Wakamura, Hattori, et al., 1999
Wakamura, S.; Hattori, M.; Igita, K.; Yasuda, K.; Tridjaka, Sex pheromone of Etiella behrii, a pod borer of soybean in Indonesia: identification and field attraction, Entomol. Exp. Appl., 1999, 91, 3, 413-420, https://doi.org/10.1046/j.1570-7458.1999.00509.x . [all data]


Notes

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