2H-Thiopyran, tetrahydro-

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-25.4 ± 0.3kcal/molCcrSunner, 1963See Sunner, 1962; ALS
Δfliquid-25.38 ± 0.21kcal/molCcrMcCullough, Finke, et al., 1954Reanalyzed by Cox and Pilcher, 1970, Original value = -25.18 ± 0.20 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcliquid-930.34kcal/molCcrSunner, 1963See Sunner, 1962; ALS
Δcliquid-930.34 ± 0.17kcal/molCcrMcCullough, Finke, et al., 1954Reanalyzed by Cox and Pilcher, 1970, Original value = -930.26 ± 0.17 kcal/mol; ALS
Quantity Value Units Method Reference Comment
liquid52.161cal/mol*KN/AMcCullough, Finke, et al., 1954, 2DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
39.030298.15McCullough, Finke, et al., 1954, 2T = 13 to 340 K.; DH

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

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

Quantity Value Units Method Reference Comment
Proton affinity (review)204.5kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity197.4kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.2PESarneel, Worrell, et al., 1980LLK
8.36PESarneel, Worrell, et al., 1980Vertical value; LLK
8.39PEPlanckaert, Doucet, et al., 1974Vertical value; LLK
8.45PESweigart and Turner, 1972Vertical value; LLK

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.

Sunner, 1963
Sunner, S., Corrected heat of combustion and formation values for a number of organic sulphur compounds, Acta Chem. Scand., 1963, 17, 728-730. [all data]

Sunner, 1962
Sunner, S., Corrected heat of combustion and formation values for a number of organic sulphur compounds, Private communication, 1962, 1-4. [all data]

McCullough, Finke, et al., 1954
McCullough, J.P.; Finke, H.L.; Hubbard, W.N.; Good, W.D.; Pennington, R.E.; Messerly, J.F.; Waddington, G., The chemical thermodynamic properties of thiacyclohexane from 0 to 1000°K, J. Am. Chem. Soc., 1954, 76, 2661-26. [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]

McCullough, Finke, et al., 1954, 2
McCullough, J.P.; Finke, H.L.; Hubbard, W.N.; Good, W.D.; Pennington, R.E.; Messerly, J.F.; Waddington, G., The chemical thermodynamic properties of thiacyclohexane from 0 to 100 K, J. Am. Chem. Soc., 1954, 76, 2661-2669. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Sarneel, Worrell, et al., 1980
Sarneel, R.; Worrell, C.W.; Pasman, P.; Verhoeven, J.W.; Mes, G.F., The photoelectron spectra of 4-methylene thiacyclohexane derivatives through-bond interaction, Tetrahedron, 1980, 36, 3241. [all data]

Planckaert, Doucet, et al., 1974
Planckaert, A.A.; Doucet, J.; Sandorfy, C., Comparative study of the vacuum ultraviolet absorption and photoelectron spectra of some simple ethers and thioethers, J. Chem. Phys., 1974, 60, 4846. [all data]

Sweigart and Turner, 1972
Sweigart, D.A.; Turner, D.W., Lone pair orbitals and their interactions studied by photoelectron spectroscopy. II. Equivalent orbitals in saturated oxygen and sulfur J. Heterocycl. Chem., J. Am. Chem. Soc., 1972, 94, 5599. [all data]


Notes

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