Thiophene, 2,3-dihydro-

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

Quantity Value Units Method Reference Comment
Δfgas21.67 ± 0.30kcal/molCcrDavies and Sunner, 1962Reanalyzed by Cox and Pilcher, 1970, Original value = 21.78 ± 0.30 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
Δfliquid12.65 ± 0.28kcal/molCcrDavies and Sunner, 1962Reanalyzed by Cox and Pilcher, 1970, Original value = 12.76 ± 0.28 kcal/mol
Quantity Value Units Method Reference Comment
Δcliquid-737.76 ± 0.25kcal/molCcrDavies and Sunner, 1962Reanalyzed by Cox and Pilcher, 1970, Original value = -737.85 ± 0.25 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil385.2KN/AMajer and Svoboda, 1985 
Tboil385.15KN/ADavies and Sunner, 1962, 2Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Tfus164.45KN/ADavies and Sunner, 1962, 2Uncertainty assigned by TRC = 1.5 K; TRC
Tfus163.55KN/ADavies and Sunner, 1962, 2Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Δvap9.032kcal/molN/AMajer and Svoboda, 1985 
Δvap9.0 ± 0.1kcal/molCDavies and Sunner, 1962ALS
Δvap9.03kcal/molN/ADavies and Sunner, 1962DRB

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Reference
7.945385.2Majer and Svoboda, 1985

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

View reactions leading to C4H6S+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.11PEKuhn, Klessinger, et al., 1987Vertical 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 Chemical Concepts
NIST MS number 151458

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.

Davies and Sunner, 1962
Davies, J.V.; Sunner, S., Heats of combustion and formation of thiolane and of the thiolenes, Acta Chem. Scand., 1962, 16, 1870-1876. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Davies and Sunner, 1962, 2
Davies, J.V.; Sunner, S., Heats of Combustion and Formation of Thiolane and the Thiolenes, Acta Chem. Scand., 1962, 16, 1870. [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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