3-Hexene, 2,5-dimethyl-, (E)-

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Gas phase thermochemistry 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: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas-28.56kcal/molN/AYates and McDonald, 1973Value computed using ΔfHliquid° value of -159.3±1.5 kj/mol from Yates and McDonald, 1973 and ΔvapH° value of 39.8 kj/mol from alkenes correlation.

Reaction thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Hydrogen + 3-Hexene, 2,5-dimethyl-, (E)- = Hexane, 2,5-dimethyl-

By formula: H2 + C8H16 = C8H18

Quantity Value Units Method Reference Comment
Δr-26.82 ± 0.05kcal/molChydTurner, Jarrett, et al., 1973liquid phase; solvent: Acetic acid

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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
8.838 ± 0.005PEMasclet, Grosjean, et al., 1973LLK

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
CapillaryPetrocol DH30.713.6Soják, Addová, et al., 2004150. m/0.25 mm/1. μm, H2
CapillarySqualane30.695.5Soják, Addová, et al., 2004He; Column length: 93. m; Column diameter: 0.25 mm
CapillaryOV-10140.704.Laub and Purnell, 1988 
CapillaryOV-10160.703.Laub and Purnell, 1988 
CapillaryOV-10180.703.Laub and Purnell, 1988 
CapillaryOV-10150.703.7Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm, N2
CapillaryOV-10170.703.2Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm, N2
CapillarySqualane50.695.Boneva and Dimov, 1986N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.694.5Boneva and Dimov, 1986N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.695.Chretien and Dubois, 1976 
CapillarySqualane50.695.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.695.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane40.696.Matukuma, 1969N2; Column length: 91.4 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 DH713.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min

References

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

Yates and McDonald, 1973
Yates, K.; McDonald, R.S., Kinetics and mechanisms of electrophilic addition. II. A thermochemical-kinetic approach to transition-state structure, J. Org. Chem., 1973, 38, 2465-2478. [all data]

Turner, Jarrett, et al., 1973
Turner, R.B.; Jarrett, A.D.; Goebel, P.; Mallon, B.J., Heats of hydrogenation. 9. Cyclic acetylenes and some miscellaneous olefins, J. Am. Chem. Soc., 1973, 95, 790-792. [all data]

Masclet, Grosjean, et al., 1973
Masclet, P.; Grosjean, D.; Mouvier, G., Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 225. [all data]

Soják, Addová, et al., 2004
Soják, L.; Addová, G.; Kubinec, R.; Kraus, A.; Bohác, A., Capillary gas chromatography-mass spectrometry of all 93 acyclic octenes and their identification in fluid catalytic cracked gasoline, J. Chromatogr. A, 2004, 1025, 2, 237-253, https://doi.org/10.1016/j.chroma.2003.10.112 . [all data]

Laub and Purnell, 1988
Laub, R.J.; Purnell, J.H., Specific retention volumes, retention indices, and family-plot regressions of aliphatic, alicyclic, and aromatic hydrocarbon solutes with OV-101 poly (dimethylsiloxane) stationary phase, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1988, 11, 9, 649-660, https://doi.org/10.1002/jhrc.1240110908 . [all data]

Boneva and Dimov, 1986
Boneva, S.; Dimov, N., Gas Chromatographic Retention Indices for Alkenes on OV-101 and Squalane Capillary Columns, Chromatographia, 1986, 21, 3, 149-151, https://doi.org/10.1007/BF02311743 . [all data]

Chretien and Dubois, 1976
Chretien, J.R.; Dubois, J.-E., New Perspectives in the Prediction of Kovats Indices, J. Chromatogr., 1976, 126, 171-189, https://doi.org/10.1016/S0021-9673(01)84071-1 . [all data]

Rijks and Cramers, 1974
Rijks, J.A.; Cramers, C.A., High precision capillary gas chromatography of hydrocarbons, Chromatographia, 1974, 7, 3, 99-106, https://doi.org/10.1007/BF02269819 . [all data]

Matukuma, 1969
Matukuma, A., Retention indices of alkanes through C10 and alkenes through C8 and relation between boiling points and retention data, Gas Chromatogr., Int. Symp. Anal. Instrum. Div Instrum Soc. Amer., 1969, 7, 55-75. [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]


Notes

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