2,4-Octadiene

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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
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

IE (eV) Method Reference Comment
8.13PEMasclet, Mouvier, et al., 1981Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H11+9.72 ± 0.05CH3EIBlanchette, Holmes, et al., 1987LBLHLM

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
CapillaryDB-5815.Methven L., Tsoukka M., et al., 200760. m/0.32 mm/1. μm, 40. C @ 2. min, 4. K/min, 260. C @ 10. min
CapillaryDB-5822.Methven L., Tsoukka M., et al., 200760. m/0.32 mm/1. μm, 40. C @ 2. min, 4. K/min, 260. C @ 10. min
CapillaryCP-Sil 8CB-MS811.Elmore, Cooper, et al., 20050. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryCP-Sil 8CB-MS818.Elmore, Cooper, et al., 20050. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 280. C @ 5. min

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

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Column type Active phase I Reference Comment
CapillaryDB-Wax886.Hallier, Prost, et al., 200530. m/0.32 mm/0.5 μm, He; Program: 40C(5min) => 10C/min => 160C => 15C/min => 230C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-101811.Orav, Kailas, et al., 199950. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C

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

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Column type Active phase I Reference Comment
CapillaryMDN-5819.Turchimi, Mentasti, et al., 200430. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (1 min) 120 0C/min -> 60 0C 2 0C/min -> 280 0C

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-Wax919.Piveteau, le Guen, et al., 200060. m/0.32 mm/0.5 μm, He; Program: 50C(6min) => 1C/min => 130C => 10C/min => 240C (15min)
CapillaryDB-Wax930.Piveteau, le Guen, et al., 200060. m/0.32 mm/0.5 μm, He; Program: 50C(6min) => 1C/min => 130C => 10C/min => 240C (15min)

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.

Masclet, Mouvier, et al., 1981
Masclet, P.; Mouvier, G.; Bocquet, J.F., Effets electroniques et effets steriques dus a la substitution alcoyle dans les dienes conjugues, J. Chim. Phys., 1981, 78, 99. [all data]

Blanchette, Holmes, et al., 1987
Blanchette, M.C.; Holmes, J.L.; Lossing, F.P., Characterizing the 2-norbornyl cation in the gas phase, J. Am. Chem. Soc., 1987, 109, 1392. [all data]

Methven L., Tsoukka M., et al., 2007
Methven L.; Tsoukka M.; Oruna-Concha M.J.; Parker J.K.; Mottram D.S., Influence of sulfur amino acids on the volatile and nonvolatile components of cooked salmon (Salmo salar), J. Agric. Food Chem., 2007, 55, 4, 1427-1436, https://doi.org/10.1021/jf0625611 . [all data]

Elmore, Cooper, et al., 2005
Elmore, J.S.; Cooper, S.L.; Enser, M.; Mottram, D.S.; Sinclair, L.A.; Wilkinson, R.G.; Wood, J.D., Dietary manipulation of fatty acid composition in lamb meat and its effect on the volatile aroma compounds of grilled lamb, Meat Sci., 2005, 69, 2, 233-242, https://doi.org/10.1016/j.meatsci.2004.07.002 . [all data]

Hallier, Prost, et al., 2005
Hallier, A.; Prost, C.; Serot, T., Influence in rearing conditions on the volatile compounds of cooked fillets of Silurus glanis (European catfish), J. Agric. Food Chem., 2005, 53, 18, 7204-7211, https://doi.org/10.1021/jf050559o . [all data]

Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J., Composition of the oil from waste tires. 1. Fraction boiling at yp to 160 0C, Proc. Estonian Acad. Sci. Chem., 1999, 48, 1, 30-39. [all data]

Turchimi, Mentasti, et al., 2004
Turchimi, G.N.; Mentasti, T.; Carpino, F.; Panseri, S.; Moretti, V.M.; Valfre, F., Effects of dietary lipid sources on flavour volatile compounds of brown trout (Salmo trurra L.) fillet, J. Appl. Ichtyol., 2004, 20, 1, 71-75, https://doi.org/10.1046/j.0175-8659.2003.00522.x . [all data]

Piveteau, le Guen, et al., 2000
Piveteau, F.; le Guen, S.; Gandemer, G.; Baud, J.-P.; Demaimay, M., Aroma of fresh oysters Crassostrea gigas: composition and aroma notes, J. Agric. Food Chem., 2000, 48, 10, 4851-4857, https://doi.org/10.1021/jf991394k . [all data]


Notes

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