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6-Octenoic acid, 3,7-dimethyl-


Phase change data

Go To: Top, Mass spectrum (electron ionization), UV/Visible 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 as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
68.7387.AStephenson and Malanowski, 1987Based on data from 372. - 530. K. See also Stull, 1947.; 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
372.7 - 530.6.031432947.093-41.629Stull, 1947Coefficents calculated by NIST from author's data.

Mass spectrum (electron ionization)

Go To: Top, Phase change data, UV/Visible 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

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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 333628

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.


UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Naves and Ardizio, 1948
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 9895
Instrument Beckman DU
Boiling point 143/ 10 mm

Gas Chromatography

Go To: Top, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, 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

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

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Column type Active phase I Reference Comment
CapillaryVF-5MS1340.8Tret'yakov, 200730. m/0.25 mm/0.25 «mu»m, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C
CapillaryVF-5MS1345.4Tret'yakov, 200730. m/0.25 mm/0.25 «mu»m, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C

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

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Column type Active phase I Reference Comment
CapillaryDB-Wax2255.Brophy, Goldsack, et al., 200460. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 32. C; Tend: 220. C
CapillaryDB-Wax2257.Brophy, Goldsack, et al., 200060. m/0.53 mm/1.0 «mu»m, He, 3. K/min; Tstart: 50. C; Tend: 220. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryZB-51260.Gardini, Beletti, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 3. K/min, 240. C @ 1. min; Tstart: 50. C
CapillaryHP-5 MS1312.Adams, Beauchamp, et al., 200730. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 10. min, 3. K/min, 230. C @ 10. min
CapillaryDB-5MS1314.Watanabe Y., Mihara R., et al., 200530. m/0.25 mm/0.25 «mu»m, He, 80. C @ 2. min, 5. K/min, 250. C @ 9. min
CapillaryBP-11305.Gupta, Mallavarapu, et al., 200130. m/0.25 mm/0.25 «mu»m, N2, 5. K/min; Tstart: 60. C; Tend: 220. C

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

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Column type Active phase I Reference Comment
CapillaryDB-11287.Delort and Jaquier, 200960. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min)
PackedOV-1011300.Swigar and Silverstein, 1981N2, Chromosorb G 60-80mesh DMCS; Column length: 2.5 m; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax2232.Näf and Velluz, 1998He, 5. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 240. C

References

Go To: Top, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

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]

Naves and Ardizio, 1948
Naves, Y.R.; Ardizio, P., Helv. Chim. Acta, 1948, 31, 1240. [all data]

Tret'yakov, 2007
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]

Brophy, Goldsack, et al., 2004
Brophy, J.J.; Goldsack, R.J.; O'Sullivan, W., Chemistry of the Australian gymnosperms. Part VII. The leaf oils of the genus Actinostrobus, Biochem. Syst. Ecol., 2004, 32, 10, 867-873, https://doi.org/10.1016/j.bse.2004.05.001 . [all data]

Brophy, Goldsack, et al., 2000
Brophy, J.J.; Goldsack, R.J.; Punruckvong, A.; Bean, A.R.; Forster, P.I.; Lepschi, B.J.; Doran, J.C.; Rozefelds, A.C., Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 7. Leptospermum petersonii, L. liversidgei and allies, Flavour Fragr. J., 2000, 15, 5, 342-351, https://doi.org/10.1002/1099-1026(200009/10)15:5<342::AID-FFJ924>3.0.CO;2-V . [all data]

Gardini, Beletti, et al., 2009
Gardini, F.; Beletti, N.; Ndagikimana, M.; Guerzoni, M.E.; Tchoumbougnang, F.; Zollo, P.H.A.; Micci, C.; Lanciotti, R.; Kamdem, S.L.S., Composition of four essential oils obtained from plants from Cameroon, and their bactericidal and bacteriostatic activity against Listeria Monocytogenes, Salmonella enteritidis and Staphyllococcus aureus, African J. Microbiol. Res., 2009, 3, 5, 264-271. [all data]

Adams, Beauchamp, et al., 2007
Adams, R.P.; Beauchamp, P.S.; Dev, V.; Dutz, S.M., New Natural Products Isolated from One-Seeded Juniperus of the Southwestern United States: Isolation and Occurence of 2-Ethenyl-3-methyl Phanol and Its Derivatives, J. Essent. Oil Res., 2007, 19, 2, 146-152, https://doi.org/10.1080/10412905.2007.9699247 . [all data]

Watanabe Y., Mihara R., et al., 2005
Watanabe Y.; Mihara R.; Mitsunaga T.; Yoshimura T., Termite repellent sesquiterpenoids from Callitris glaucophylla heartwood, J. Wood Sci., 2005, 51, 5, 514-519, https://doi.org/10.1007/s10086-004-0683-6 . [all data]

Gupta, Mallavarapu, et al., 2001
Gupta, R.; Mallavarapu, G.R.; Banerjee, S.; Kumar, S., Characteristics of an isomenthone-rich somaclonal mutant isolated in a geraniol-rich rose-scented geranium accession of Pelargonium graveolens, Flavour Fragr. J., 2001, 16, 5, 319-324, https://doi.org/10.1002/ffj.1002 . [all data]

Delort and Jaquier, 2009
Delort, E.; Jaquier, A., Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract, Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922 . [all data]

Swigar and Silverstein, 1981
Swigar, A.A.; Silverstein, R.M., Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130. [all data]

Näf and Velluz, 1998
Näf, R.; Velluz, A., Phenols and lactones in Italo-Mitcham peppermint oil Mentha × piperita L., Flavour Fragr. J., 1998, 13, 3, 203-208, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<203::AID-FFJ725>3.0.CO;2-0 . [all data]


Notes

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