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Hexanoic acid, octyl ester

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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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director

Quantity Value Units Method Reference Comment
Tboil548.4KN/ABilterys and Gisseleire, 1935Uncertainty assigned by TRC = 1.5 K
Tboil548.4KN/AGartenmeister, 1886Uncertainty assigned by TRC = 2. K
Tboil543.KN/AZincke, 1869Uncertainty assigned by TRC = 4. K
Quantity Value Units Method Reference Comment
Tfus245.1KN/ABilterys and Gisseleire, 1935Uncertainty assigned by TRC = 1. K

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 V.G.Zaikin, TIPS RAS, Moscow, Russia
NIST MS number 279262

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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

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

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Column type Active phase I Reference Comment
CapillaryCP Sil 5 CB1570.Hendriks and Bruins, 19834. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 70. C; Tend: 205. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCP Sil 5 CB1565.Baser, Özek, et al., 200025. m/0.25 mm/0.4 «mu»m, He, 60. C @ 40. min, 5. K/min; Tend: 260. C
CapillaryOV-1011572.Tkachenko and Zenkevich, 1993Helium, 40. C @ 0. min, 3. K/min, 200. C @ 0. min; Column length: 52. m; Column diameter: 0.26 mm
CapillaryUltra-11567.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C
CapillaryOV-1011567.Tkachenko and Zenkevich, 1987Helium, 40. C @ 0. min, 2. K/min, 200. C @ 0. min; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-1011575.Tkachenko and Zenkevich, 1987Helium, 40. C @ 0. min, 5. K/min, 200. C @ 0. min; Column length: 50. m; Column diameter: 0.25 mm

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

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Column type Active phase I Reference Comment
CapillaryDB-5 MS1570.Purushothaman and Ravi, 201330. m/0.25 mm/0.25 «mu»m, Helium; Program: 70 0C 5 0C/min -> 120 0C 10 0C/min -> 280 0C (20 min)

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1829.Kafkas and Paydas, 200725. m/0.25 mm/0.40 «mu»m, Helium, 5. K/min, 260. C @ 40. min; Tstart: 60. C
CapillaryInnowax1815.Baser, Özek, et al., 200060. m/0.25 mm/0.25 «mu»m, He, 60. C @ 10. min, 4. K/min, 220. C @ 10. min

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP Innowax FSP1829.Tabanca N., Demirci B., et al., 200760. 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, 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.

Bilterys and Gisseleire, 1935
Bilterys, R.; Gisseleire, J., Investigations on the Congelation Temperature of Organic Compounds, Bull. Soc. Chim. Belg., 1935, 44, 567. [all data]

Gartenmeister, 1886
Gartenmeister, R., Investigation of the physical characterstics of liquid compounds: vi boiling point and specific volume of normal fatty acid esters, Justus Liebigs Ann. Chem., 1886, 233, 249-315. [all data]

Zincke, 1869
Zincke, T., Justus Liebigs Ann. Chem., 1869, 152, 1. [all data]

Hendriks and Bruins, 1983
Hendriks, H.; Bruins, A.P., A tentative identification of components in the essential oil of Cannabis sativa L. by a combination of gas chromatography negative ion chemical ionization mass spectrometry and retention indices, Biomed. Mass Spectrom., 1983, 10, 6, 377-381, https://doi.org/10.1002/bms.1200100607 . [all data]

Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Kürkcüoglu, M.; Aytac, Z.; Duman, H., Composition of the essential oils of Zosima absinthifolia (Vent.) Link and Ferula elaeochytris Korovin from Turkey, Flavour Fragr. J., 2000, 15, 6, 371-372, https://doi.org/10.1002/1099-1026(200011/12)15:6<371::AID-FFJ919>3.0.CO;2-Z . [all data]

Tkachenko and Zenkevich, 1993
Tkachenko, K.G.; Zenkevich, I.G., The Essential Oil of the Flowers of Heracleum antasiaticum Manden, Grown in Russia, J. Essent. Oil Res., 1993, 5, 2, 227-228. [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]

Tkachenko and Zenkevich, 1987
Tkachenko, K.G.; Zenkevich, I.G., Composition of Essential Oils from Fruits of Some Species Heracleum L., Rastitel'nye Resursy (Rus.), 1987, 1, 87-91. [all data]

Purushothaman and Ravi, 2013
Purushothaman, D.N.; Ravi, S., GC-MS analusis of essential oil obtained from Heracleum candolleanum (Wight et Arn), J. Pharmacy Res., 2013, 6, 1, 155-157, https://doi.org/10.1016/j.jopr.2012.11.032 . [all data]

Kafkas and Paydas, 2007
Kafkas, E.; Paydas, S., Evaluation and identification of volatile compounds of some promising strawberry genotypes using HS-SPME technique by GC-MS, World J. Agric. Sci., 2007, 3, 2, 191-195. [all data]

Tabanca N., Demirci B., et al., 2007
Tabanca N.; Demirci B.; Crockett S.L.; Baser K.H.C.; Wedge D.E., Chemical composition and antifungal activity of Arnica longifolia, Aster hesperius, and Chrysothamnus nauseosus essential oils, J. Agric. Food Chem., 2007, 55, 21, 8430-8435, https://doi.org/10.1021/jf071379c . [all data]


Notes

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