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

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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Mass 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 James Little,Eastman Chem.Co.,Kingsport,TN
NIST MS number 288671

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UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Lang (editor), 1962
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 19706
Instrument Cary Model 14
Melting point 161-163

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]

Lang (editor), 1962
Lang (editor), L., Absorption Spectra in the Ultraviolet and Visible Region, 1962, 3, 323. [all data]


Notes

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