1,7-Octadiene

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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity Value Units Method Reference Comment
Tboil389. ± 2.KAVGN/AAverage of 6 values; Individual data points

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:


Gas phase ion energetics 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
9.52 ± 0.02PEBunzli, Burak, et al., 1973Vertical value

IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

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

Additional Data

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Owner Copyright (C) 1987 by the Coblentz Society
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin COLGATE-PALMOLIVE COMPANY (KELLENBACH)
Source reference COBLENTZ NO. 9788
Date 1966/12/01
State LIQUID (NEAT)
PURITY 99%
SOURCE - CHEMICAL SAMPLES CO.
Instrument BECKMAN IR-12 (GRATING)
Instrument parameters GRATING
Path length 0.0094 CM
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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

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Due to licensing restrictions, this spectrum cannot be downloaded.

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 CONTINENTAL OIL CO., PONCA CITY, OKLA, USA
NIST MS number 27635

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

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySqualane70.763.5Soják, Král'ovicová, et al., 1984195. m/0.25 mm/0.08 μm, H2
CapillarySE-30130.778.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillarySE-3080.777.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillarySqualane70.767.8Soják, Ostrovský, et al., 1980N2; Column length: 200. m; Column diameter: 0.25 mm
CapillarySqualane70.764.2Soják, Ostrovský, et al., 1980N2; Column length: 70. m; Column diameter: 0.25 mm
CapillarySqualane50.762.6Welsch, Engewald, et al., 1978Column length: 80. m; Column diameter: 0.23 mm
CapillarySqualane30.762.Döring, Estel, et al., 1974Column length: 150. m; Column diameter: 0.25 mm
CapillarySqualane80.764.99Schomburg and Dielmann, 1973Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane80.764.99Schomburg and Dielmann, 1973, 2Column length: 100. m; Column diameter: 0.25 mm

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPetrocol DH777.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryUltra-ALLOY-5782.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min

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

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Column type Active phase I Reference Comment
CapillaryDB-5 MS795.Luo and Agnew, 200130. m/0.25 mm/1.0 μm, Helium; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.777.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Phase change data, Gas phase ion energetics 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.

Bunzli, Burak, et al., 1973
Bunzli, J.C.; Burak, A.J.; Frost, D.C., Through-space interaction in non-conjugated acyclic dienes studied by photoelectron spectroscopy, Tetrahedron, 1973, 29, 3735. [all data]

Soják, Král'ovicová, et al., 1984
Soják, L.; Král'ovicová, E.; Ostrovský, I.; Leclercq, P.A., Retention behaviour of conjegated and isolated n-alkadienes. Identification of n-nona- and n-decadiens by capillary gas chromatography using structure-retention correlations and mass spectrometry, J. Chromatogr., 1984, 292, 1, 241-261, https://doi.org/10.1016/S0021-9673(01)96207-7 . [all data]

Bredael, 1982
Bredael, P., Retention indices of hydrocarbons on SE-30, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1982, 5, 6, 325-328, https://doi.org/10.1002/jhrc.1240050610 . [all data]

Soják, Ostrovský, et al., 1980
Soják, L.; Ostrovský, I.; Leclercq, P.A.; Rijks, J.A., Identification of n-hepta- and n-octadienes by high-resolution gas chromatography using structure-retention correlations and mass spectrometry, J. Chromatogr., 1980, 191, 187-198, https://doi.org/10.1016/S0021-9673(00)86379-7 . [all data]

Welsch, Engewald, et al., 1978
Welsch, Th.; Engewald, W.; Berger, P., IX. Das gas-chromatographische Retentionsverhalten isomerer Octine and Octadiine, Chromatographia, 1978, 11, 1, 5-9, https://doi.org/10.1007/BF02262945 . [all data]

Döring, Estel, et al., 1974
Döring, C.-E.; Estel, D.; Geyer, R.; Wendt, W.-H., Kapillargaschromatographische Analyse geradkettiger C8-Diene, Z. Chem., 1974, 14, 7, 292-293, https://doi.org/10.1002/zfch.19740140730 . [all data]

Schomburg and Dielmann, 1973
Schomburg, G.; Dielmann, G., Identification by means of retention parameters, J. Chromatogr. Sci., 1973, 11, 3, 151-159, https://doi.org/10.1093/chromsci/11.3.151 . [all data]

Schomburg and Dielmann, 1973, 2
Schomburg, G.; Dielmann, G., Use of retention increments for identification and correlation of saturated and unsaturated cyclopropane hydrocarbons by means of Kovats indices, Anal. Chem., 1973, 45, 9, 1647-1658, https://doi.org/10.1021/ac60331a021 . [all data]

Supelco, 2012
Supelco, CatalogNo. 24160-U, Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]

Tsuge, Ohtan, et al., 2011
Tsuge, S.; Ohtan, H.; Watanabe, C., Pyrolysis - GC/MS Data Book of Synthetic Polymers, Elsevier, 2011, 420. [all data]

Luo and Agnew, 2001
Luo, J.; Agnew, M.P., Gas characteristics before and after biofiltration treating odorous emissions from animal rendering processes, Environ. Technol., 2001, 22, 9, 1091-1103, https://doi.org/10.1080/09593332208618220 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]


Notes

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