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2-Undecanol

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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil503. ± 4.KAVGN/AAverage of 9 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Reference Comment
61.4359.Stull, 1947Based on data from 344. - 505. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
344.3 - 505.5.460682543.242-39.152Stull, 1947Coefficents calculated by NIST from author's data.

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 NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

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


Mass spectrum (electron ionization)

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

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

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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-2011
NIST MS number 230933

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, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M165.1706.Singliar, 1972Column length: 2.55 m

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-11287.Eri, Khoo, et al., 200060. m/0.25 mm/0.25 «mu»m, He; Program: -20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1706.Osorio, Alarcon, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
CapillaryLM-1201723.Pinto, Guedes, et al., 200650. m/0.25 mm/0.5 «mu»m, 3. K/min, 240. C @ 30. min; Tstart: 50. C
CapillaryZB-Wax1723.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
CapillarySupelcowax-101726.Chung and Cadwallader, 199360. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 2. K/min, 195. C @ 40. min
CapillaryDB-Wax1712.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryDB-Wax1717.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryDB-Wax1712.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryDB-Wax1717.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillarySupelcowax-101723.Tanchotikul and Hsieh, 198960. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
CapillarySupelcowax-101724.Tanchotikul and Hsieh, 198960. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 2. K/min, 175. C @ 20. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1710.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

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-11287.Bendiabdellah, El Amine Dib, et al., 201260. m/0.22 mm/0.25 «mu»m, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C
CapillaryCP Sil 5 CB1294.Lis and Milczarek, 200630. m/0.32 mm/0.25 «mu»m, N2, 4. K/min; Tstart: 50. C; Tend: 300. C
CapillaryUltra-21304.Schlumpberger B.O., Clery R.A., et al., 200650. m/0.25 mm/0.32 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 270. C
CapillaryBPX51310.Dickschat, Bode, et al., 200525. m/0.22 mm/0.25 «mu»m, Helium, 50. C @ 5. min, 5. K/min; Tend: 320. C
CapillaryHP-5MS1303.Setzer, Noletto, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 3. K/min; Tend: 280. C
CapillaryRTX-11288.Lis, Boczek, et al., 200430. m/0.32 mm/0.25 «mu»m, N2, 4. K/min; Tstart: 60. C; Tend: 300. C
CapillaryDB-5MS1311.Congiu, Falconieri, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryCBP-11298.Lamarque, Maestri, et al., 1998He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 240. C
CapillarySE-301270.Yaacob, Abdullah, et al., 19894. K/min; Column length: 10. m; Column diameter: 0.25 mm; Tstart: 20. C; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-11285.Bendiabdellah, El Amine Dib, et al., 201260. m/0.22 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryBPX-51309.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-51311.se Souza, Cardeal, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-5 MS1307.Cajka, Hajslova, et al., 200730. m/0.25 mm/0.25 «mu»m, Helium; Program: 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min)
CapillaryDB-51294.Viana, Andrade-Neto, et al., 200230. m/0.25 mm/0.1 «mu»m, He; Program: 35C => 4C/min => 180C => 20C/min => 280C
CapillaryCP Sil 5 CB1286.Weyerstahl, Marschall, et al., 1999Column length: 25. m; Column diameter: 0.39 mm; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-Wax1723.Bendiabdellah, El Amine Dib, et al., 201260. m/0.22 mm/0.25 «mu»m, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C
CapillaryHP-Wax1717.Fredj, Marzouk, et al., 200730. m/0.25 mm/0.25 «mu»m, N2, 5. K/min, 250. C @ 10. min; Tstart: 50. C
CapillaryDB-Wax1738.Qian and Wang, 200560. m/0.32 mm/0.50 «mu»m, Nitrogen, 35. C @ 4. min, 2. K/min, 235. C @ 30. min
CapillaryDB-Wax1705.Osorio, Duque, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
CapillaryDB-Wax1717.Osorio, Duque, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
CapillaryDB-Wax1712.Parada, Duque, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryDB-Wax1716.Parada, Duque, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryDB-Wax1704.Morales, Albarracín, et al., 199630. m/0.25 mm/0.25 «mu»m, He, 20. C @ 4. min, 4. K/min, 200. C @ 10. min
CapillaryDB-Wax1712.Morales, Albarracín, et al., 199630. m/0.25 mm/0.25 «mu»m, He, 50. C @ 4. min, 4. K/min, 200. C @ 10. min
CapillarySP-10001718.De Llano D.G., Ramos M., et al., 199025. m/0.2 mm/0.43 «mu»m, N2, 4. K/min, 190. C @ 30. min; Tstart: 60. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPEG-20M1726.Qin, 2009Program: not specified
CapillaryHP-Innowax FSC1722.Kivcak, Akay, et al., 200460. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1722.Erdemoglu, Sener, et al., 200360. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryInnowax FSC1722.Kirimer, Tabanca, et al., 200060. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10 min) => 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.

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Singliar, 1972
Singliar, M., Chromatographic Behaviour and the Structure of Secondary Aliphatic Alcohols, J. Chromatogr., 1972, 65, 1, 311-321, https://doi.org/10.1016/S0021-9673(00)86946-0 . [all data]

Eri, Khoo, et al., 2000
Eri, S.; Khoo, B.K.; Lech, J.; Hartman, T.G., Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization, J. Agric. Food Chem., 2000, 48, 4, 1140-1149, https://doi.org/10.1021/jf9911850 . [all data]

Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C., Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.), J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c . [all data]

Pinto, Guedes, et al., 2006
Pinto, A.B.; Guedes, C.M.; Moreira, R.F.A.; de Maria, C.A.B., Volatile constituents from headspace and aqueous solution of genipap (Genipa americana) fruit isolated by the solid-phase extraction method, Flavour Fragr. J., 2006, 21, 3, 488-491, https://doi.org/10.1002/ffj.1623 . [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]

Chung and Cadwallader, 1993
Chung, H.Y.; Cadwallader, K.R., Volatile components in blue crab (Callinectes sapidus) meat and processing by-product, J. Food Sci., 1993, 58, 6, 1203-1207, https://doi.org/10.1111/j.1365-2621.1993.tb06148.x . [all data]

Suárez, Duque, et al., 1991
Suárez, M.; Duque, C.; Wintoch, H.; Schreier, P., Glycosidically bound aroma compounds from the pulp and the peelings of lulo fruit (Solanum vestissimum D.), J. Agric. Food Chem., 1991, 39, 9, 1643-1645, https://doi.org/10.1021/jf00009a022 . [all data]

Tanchotikul and Hsieh, 1989
Tanchotikul, U.; Hsieh, T.C.-Y., Volatile Flavor Components in Crayfish Waste, J. Food Sci., 1989, 54, 6, 1515-1520, https://doi.org/10.1111/j.1365-2621.1989.tb05149.x . [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]

Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A., Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria, Chem. Centr. J., 2012, 6, 48, 1-22. [all data]

Lis and Milczarek, 2006
Lis, A.; Milczarek, J., Chemical composition of the essential oils from fruits, leaves and flowers of Phellodendron sachalinense (Fr. Schmidt) Sarg., Flavour Fragr. J., 2006, 21, 4, 683-686, https://doi.org/10.1002/ffj.1662 . [all data]

Schlumpberger B.O., Clery R.A., et al., 2006
Schlumpberger B.O.; Clery R.A.; Barthlott W., A unique cactus with scented and possibly bat-dispersed fruits: Rhipsalis juengeri, Plant Biology, 2006, 8, 2, 265-270, https://doi.org/10.1055/s-2005-873045 . [all data]

Dickschat, Bode, et al., 2005
Dickschat, J.S.; Bode, H.B.; Wenzel, S.C.; Muller, R.; Schulz, S., Biosinthesis and Identification of Volatiles Released by the Myxobacterium Stigmatella aurantiaca, ChemBioChem, 2005, 6, 11, 2023-2033, https://doi.org/10.1002/cbic.200500174 . [all data]

Setzer, Noletto, et al., 2005
Setzer, W.N.; Noletto, J.A.; Lawton, R.O.; Haber, W.A., Leaf essential oil composition of five Zanthoxylum species from Monteverde, Costa Rica, Molecular Diversity, 2005, 9, 1-3, 3-13, https://doi.org/10.1007/s11030-005-1298-6 . [all data]

Lis, Boczek, et al., 2004
Lis, A.; Boczek, E.; Góra, J., Chemical composition of the essential oils from fruits, leaves and flowers of the Amur cork tree (Phellodendron amurense Rupr.), Flavour Fragr. J., 2004, 19, 6, 549-553, https://doi.org/10.1002/ffj.1349 . [all data]

Congiu, Falconieri, et al., 2002
Congiu, R.; Falconieri, D.; Marongiu, B.; Piras, A.; Porcedda, S., Extraction and isolation of Pistacia lentiscus L. essential oil by supercritical CO2, Flavour Fragr. J., 2002, 17, 4, 239-244, https://doi.org/10.1002/ffj.1095 . [all data]

Lamarque, Maestri, et al., 1998
Lamarque, A.L.; Maestri, D.M.; Zygadlo, J.A.; Grosso, N.R., Volatile constituents from flowers of Acacia caven (Mol.) Mol. var. caven, Acacia aroma Gill. ex Hook., Erythrina crista-galli L. and Calliandra tweedii Benth., Flavour Fragr. J., 1998, 13, 4, 266-268, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<266::AID-FFJ739>3.0.CO;2-5 . [all data]

Yaacob, Abdullah, et al., 1989
Yaacob, K.B.; Abdullah, C.M.; Joulain, D., Essential Oil of Ruta graveolens L., J. Essent. Oil Res., 1989, 1, 5, 203-207, https://doi.org/10.1080/10412905.1989.9697787 . [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]

Cajka, Hajslova, et al., 2007
Cajka, T.; Hajslova, J.; Cochran, J.; Holadova, K.; Klimankova, E., Solid phase microextraction - comprehensive two dimensional gas chromatography - time-of-flight mass spectrometry for the analysis of honey volatiles, J. Sep. Sci., 2007, 30, 4, 534-546, https://doi.org/10.1002/jssc.200600413 . [all data]

Viana, Andrade-Neto, et al., 2002
Viana, F.A.; Andrade-Neto, M.; Pouliquen, Y.B.M.; Lucien, V.G., Chemical composition of the essential oil from roots of Philodendron acutatum Schott., J. Essent. Oil Res., 2002, 14, 3, 172-174, https://doi.org/10.1080/10412905.2002.9699814 . [all data]

Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Son, P.T.; Giang, P.M.; Kaul, V.K., Constituents of the essential oil from the fruits of Zanthoxylum rhetsoides Drake from Vietnam and from the aerial parts of Zanthoxylum alatum Roxb. from India, Flavour Fragr. J., 1999, 14, 4, 225-229, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<225::AID-FFJ818>3.0.CO;2-1 . [all data]

Fredj, Marzouk, et al., 2007
Fredj, M.B.H.; Marzouk, B.; Chraief, I.; Boukef, K.; Marzouk, Z., Analysis of Tunisian Ruta graveolens L. oils from Jemmel, Journal of Food, Agriculture Environment, 2007, 5, 1, 52-55. [all data]

Qian and Wang, 2005
Qian, M.C.; Wang, Y., Seasonal Variations of Volatile Composition and Odor Activity Value of Marion (Rubus spp. hyb) and Thornless Evergreen (R.laciniatus L.) Blackberries, J. Food. Sci., 2005, 70, 1, c13-c20, https://doi.org/10.1111/j.1365-2621.2005.tb09013.x . [all data]

Osorio, Duque, et al., 2002
Osorio, C.; Duque, C.; Suarez, M.; Salamanca, L.E.; Uruena, F., Free, glycosidically bound, and phosphate bound flavor constituents of badea (Passiflora quadrangularis) fruit pulp, J. Sep. Sci., 2002, 25, 3, 147-154, https://doi.org/10.1002/1615-9314(20020201)25:3<147::AID-JSSC147>3.0.CO;2-G . [all data]

Parada, Duque, et al., 2000
Parada, F.; Duque, C.; Fujimoto, Y., Free and bound volatile composition and characterization of some glucoconjugates as aroma precursors in Melón de olor fruit pulp (Sicana odorifera), J. Agric. Food Chem., 2000, 48, 12, 6200-6204, https://doi.org/10.1021/jf0007232 . [all data]

Morales, Albarracín, et al., 1996
Morales, A.L.; Albarracín, D.; Rodríguez, J.; Duque, C.; Riaño, L.E.; Espitia, J., Volatile constituents from Andes berry (Rubus glaucus Benth), J. Hi. Res. Chromatogr., 1996, 19, 10, 585-587, https://doi.org/10.1002/jhrc.1240191011 . [all data]

De Llano D.G., Ramos M., et al., 1990
De Llano D.G.; Ramos M.; Polo C.; Sanz J.; Martinez-Castro I., Evolution of the volatile components of an artisanal blue cheese during ripening, J. Dairy Sci., 1990, 73, 7, 1676-1683, https://doi.org/10.3168/jds.S0022-0302(90)78842-X . [all data]

Qin, 2009
Qin, Z., Relationship between the molecular structure and gas chromatographic retention index of alcohol isomer, J. Xuzhou Norm. Univ. (Nat. Sci. Edn.), 2009, 27, 2, 88-90. [all data]

Kivcak, Akay, et al., 2004
Kivcak, B.; Akay, S.; Demirci, B.; Baser, K.H.C., Chemical composition of essential oils from leaves and twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey, Pharm. Biol, 2004, 42, 4-5, 360-366, https://doi.org/10.1080/13880200490519677 . [all data]

Erdemoglu, Sener, et al., 2003
Erdemoglu, N.; Sener, B.; Demirci, B.; Baser, K.H.C., The glycosidically bound volatile compounds of Taxus baccata, Chem. Nat. Compd. (Engl. Transl.), 2003, 39, 2, 195-198, https://doi.org/10.1023/A:1024870031960 . [all data]

Kirimer, Tabanca, et al., 2000
Kirimer, N.; Tabanca, N.; Özek, T.; Tümen, G.; Baser, K.H.C., Essential oils of annual Sideritis species growing in Turkey, Pharm. Biol., 2000, 38, 2, 106-111, https://doi.org/10.1076/1388-0209(200004)3821-1FT106 . [all data]


Notes

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