4(1H)-Pyridinethione,1-methyl-


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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δvap41.2 ± 2.0kcal/molVBeak, Mueller, et al., 1974ALS

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
45.0 ± 2.2452.BBeak, Mueller, et al., 1974Based on data from 440. to 465. K.; AC

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

4(1H)-Pyridinethione,1-methyl- = Pyridine, 4-(methylthio)-

By formula: C6H7NS = C6H7NS

Quantity Value Units Method Reference Comment
Δr-0.5 ± 1.2kcal/molCisoBeak, Mueller, et al., 1974liquid phase; solvent: 1,2-Dichloroethane; #LED
Δr-27.9 ± 3.9kcal/molCisoBeak, Mueller, et al., 1974gas phase; Hr gas 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
7.54 ± 0.02EIGronneberg and Undheim, 1972LLK
7.6 ± 0.03PECook, El-Abbady, et al., 1977Vertical 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.

Beak, Mueller, et al., 1974
Beak, P.; Mueller, D.S.; Lee, J., Equilibration studies. Determination of the enthalpy difference between methyltropic isomers from heats of methylation, J. Am. Chem. Soc., 1974, 96, 3867-3874. [all data]

Gronneberg and Undheim, 1972
Gronneberg, T.; Undheim, K., Mass spectrometry of onium compounds. XI: ionization potentials of hydroxy and mercapto pyridines, Org. Mass Spectrom., 1972, 6, 823. [all data]

Cook, El-Abbady, et al., 1977
Cook, M.J.; El-Abbady, S.; Katritzky, A.R.; Guimon, C.; Pfister-Guillouzo, G., Photoelectron spectra of hydroxy- and mercapto-pyridines and models of fixed structure, J. Chem. Soc. Perkin Trans. 2, 1977, 1652. [all data]


Notes

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