1-Propene, 1-(methylthio)-, (E)-


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

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Individual Reactions

Sulfide, allyl methyl = 1-Propene, 1-(methylthio)-, (E)-

By formula: C4H8S = C4H8S

Quantity Value Units Method Reference Comment
Δr-13.9 ± 0.5kJ/molEqkKimmelma, 1988liquid phase; solvent: DMSO; NMR

1-Propene, 1-(methylthio)-, (E)- = 1-Propene, 1-(methylthio)-, (Z)-

By formula: C4H8S = C4H8S

Quantity Value Units Method Reference Comment
Δr2.0 ± 0.4kJ/molEqkVirtanen, 1986liquid phase; solvent: THF; NMR

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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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 R.G.GILLIS DEPT. OF SUPPLY, ASCOT VALE, AUSTRALIA
NIST MS number 26402

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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
CapillaryHP-1726.Kuo and Ho, 199250. m/0.32 mm/1.05 μm, He, 2. K/min; Tstart: 40. C; Tend: 260. C

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

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Column type Active phase I Reference Comment
CapillaryVF-5684.Shivashankar, Roy, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min)
CapillaryVF-5678.Shivashankar, Roy, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified

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.

Kimmelma, 1988
Kimmelma, R., Structure-stability relationships in vinyl sulfides. III. Stabilization caused by different alkylthio and phenylthio groups attached to an olefinic double bond, Acta Chem. Scand., 1988, 42, 550-555. [all data]

Virtanen, 1986
Virtanen, R., Structure-stability relationships in vinyl sulfides. I. On the stable conformations of vinyl sulfides, Acta Chem. Scand., 1986, 40, 313-327. [all data]

Kuo and Ho, 1992
Kuo, M.-C.; Ho, C.-T., Volatile constituents of the solvent extracts of Welsh onions (Allium fistulosum L. variety Maichuon) and scallions (A. fistulosum L. variety caepitosum), J. Agric. Food Chem., 1992, 40, 10, 1906-1910, https://doi.org/10.1021/jf00022a036 . [all data]

Shivashankar, Roy, et al., 2012
Shivashankar, S.; Roy, T.K.; Moorthy, P.N.R., Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. juss, Chem. Bull. of Politechnika Univ. Timisoara, Romania, 2012, 57(71), 1, 1-6. [all data]


Notes

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