2,3-Dihydrothiophene 1,1-dioxide


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

Quantity Value Units Method Reference Comment
Δfgas-62.61 ± 0.73kcal/molCcrMackle and McNally, 1969Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -62.50 ± 0.41 kcal/mol; Authors reported energy of Combustion=-646.62 kcal/mol

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

Quantity Value Units Method Reference Comment
Δfsolid-77.24 ± 0.41kcal/molCcrMackle and McNally, 1969Authors reported energy of Combustion=-646.62 kcal/mol
Quantity Value Units Method Reference Comment
Δcsolid-647.80 ± 0.39kcal/molCcrMackle and McNally, 1969Authors reported energy of Combustion=-646.62 kcal/mol

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

Quantity Value Units Method Reference Comment
Δsub14.7kcal/molVMackle and McNally, 1969Authors reported energy of Combustion=-646.62 kcal/mol

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

1,3-Butadiene + Sulfur dioxide = 2,3-Dihydrothiophene 1,1-dioxide

By formula: C4H6 + O2S = C4H6O2S

Quantity Value Units Method Reference Comment
Δr-17.9kcal/molEqkMackle and McNally, 1969gas phase

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, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

IE (eV) Method Reference Comment
10.0PEAitken, Gosney, et al., 1984 
10.28PEKuhn, Klessinger, et al., 1987Vertical value
10.28PEAitken, Gosney, et al., 1984Vertical value

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 Japan AIST/NIMC Database- Spectrum MS-IW-3376
NIST MS number 243802

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Mackle and McNally, 1969
Mackle, H.; McNally, D.V., Studies in the thermochemistry of sulphones. Part 9 - Thermochemistry of the butadiene and isoprene sulphones, Trans. Faraday Soc., 1969, 65, 1738-1741. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Aitken, Gosney, et al., 1984
Aitken, R.A.; Gosney, I.; Farries, H.; Palmer, M.H.; Simpson, I.; Cadogan, J.I.G.; Tinley, E.J., Chemical repercussions of orbital interactions through bond and through space. The reactivity of the double bond in unsaturated cyclic sulphones towards aziridine formation and epoxidation, Tetrahedron, 1984, 40, 2487. [all data]

Kuhn, Klessinger, et al., 1987
Kuhn, H.J.; Klessinger, M.; Ruscic, B.; Klasinc, L., On the empirical correlation schemes for ionization energies in ring compounds, Int. J. Mass Spectrom. Ion Phys., 1987, 43, 147. [all data]


Notes

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