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Acetic acid n-octadecyl ester

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Phase change data

Go To: Top, IR Spectrum, 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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus305.8KN/AMcGeer, Curtis, et al., 1952Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Deltavap27.13kcal/molGCKoutek, Hoskovec, et al., 1997Based on data from 393. - 438. K. See also Ova, Koultek, et al., 2000.; AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
452. - 453.0.003Frinton Laboratories Inc., 1986BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
22.5356.AStephenson and Malanowski, 1987Based on data from 341. - 500. 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:


IR Spectrum

Go To: Top, Phase change data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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Download spectrum in JCAMP-DX format.

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, 1990.
NIST MS number 118347

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, IR Spectrum, 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
CapillaryDB-1180.2161.Furr, Zeng, et al., 199015. m/0.25 mm/0.25 «mu»m
CapillarySE-30220.2193.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.33 mm
PackedOV-1200.2208.Yamaoka, Shiraishi, et al., 1985He, Chromosorb W AW DMCS (80-100 mesh); Column length: 3. m
PackedSE-30180.2178.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-351200.2516.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351220.2516.Haken and Korhonen, 1986N2; 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
CapillaryHP-52211.Fokialakis, Melliou, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryDB-52208.Nogueira, Bittrich, et al., 200130. m/0.25 mm/0.25 «mu»m, H2, 3. K/min; Tstart: 60. C; Tend: 240. C

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

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Column type Active phase I Reference Comment
CapillaryVF-5MS2207.3Zheng and White, 200830. m/0.25 mm/0.25 «mu»m, He; Program: not specified
CapillaryHP-52211.Isidorov, Krajewska, et al., 200130. m/0.25 mm/0.25 «mu»m, He; Program: 50C => 6C/min => 100C => 4C/min => 280C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS2211.Vedernikov and Roschin, 201030. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min, 280. C @ 10. min; Tstart: 150. C
CapillaryUltra-12192.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
CapillarySLB-5 MS2209.Mondello, 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillarySLB-5 MS2209.Mondello, 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillarySiloxane, 5 % Ph2197.VOC BinBase, 2012Program: not specified
CapillaryPolydimethyl siloxane, 5 % phenyl2197.Skogerson, Wohlgemuth, et al., 2011Program: not specified
CapillaryHP-5 MS2205.Vedernikov and Roschin, 201030. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP-5MS2208.Moronkola, Ogunwande, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryInnowax FSC2521.Iscan, Kirimer, et al., 200660. m/0.25 mm/0.25 «mu»m, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C

References

Go To: Top, Phase change data, IR Spectrum, 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.

McGeer, Curtis, et al., 1952
McGeer, P.L.; Curtis, A.J.; Rathmann, G.B.; Smyth, C.P., Microwave Absorption and Molecular Structure in Liquids VIII. Dielectric Relaxation in Some Long Chain Esters, J. Am. Chem. Soc., 1952, 74, 3541-5. [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]

Frinton Laboratories Inc., 1986
Frinton Laboratories Inc., Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [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]

Furr, Zeng, et al., 1990
Furr, H.C.; Zeng, S.; Clifford, A.J.; Olson, J.A., Capillary gas chromatography of retinoids (vitamin A compounds) and apo-retinoids: determination of Kováts retention indices, J. Chromatogr., 1990, 527, 406-413, https://doi.org/10.1016/S0378-4347(00)82124-6 . [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]

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]

Fokialakis, Melliou, et al., 2003
Fokialakis, N.; Melliou, E.; Magiatis, P.; Harvala, C.; Mitaku, S., Composition of the steam volatiles of six Euphorbia spp. from Greece, Flavour Fragr. J., 2003, 18, 1, 39-42, https://doi.org/10.1002/ffj.1148 . [all data]

Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J., The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae), Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2 . [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]

Vedernikov and Roschin, 2010
Vedernikov, D.N.; Roschin, V.I., Extractive compounds of Birch Buds (Betula pendula Roth.): I. Composition of fatty acids, hydrocarbons , and esters, Rus. J. Bioorg. Chem., 2010, 36, 7, 894-898, https://doi.org/10.1134/S1068162010070174 . [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]

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]

VOC BinBase, 2012
VOC BinBase, The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]

Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O., VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]

Moronkola, Ogunwande, et al., 2007
Moronkola, D.O.; Ogunwande, I.A.; Walker, T.M.; Setzer, W.N.; Oyewole, I.O., Identification of the main volatile compounds in the leaf and flower of Tithonia diversifolia (Hemsl) Gray, J. Nat. Med., 2007, 61, 1, 63-66, https://doi.org/10.1007/s11418-006-0019-5 . [all data]

Iscan, Kirimer, et al., 2006
Iscan, G.; Kirimer, N.; Kurkcuoglu, M.; Arabaci, T.; Kupeli, E.; Baser, K.H.C., Biological Activity and Composition of the Essential Oils of Achillea schischkinii Sosn. and Achillea aleppica DC. subsp. aleppica, J. Agric. Food Chem., 2006, 54, 1, 170-173, https://doi.org/10.1021/jf051644z . [all data]


Notes

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