4(1H)-Pyridinethione,1-methyl-
- Formula: C6H7NS
- Molecular weight: 125.191
- IUPAC Standard InChIKey: AXSKLZVLVONUIC-UHFFFAOYSA-N
- CAS Registry Number: 6887-59-8
- Chemical structure:
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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 |
---|---|---|---|---|---|
ΔvapH° | 41.2 ± 2.0 | kcal/mol | V | Beak, Mueller, et al., 1974 | ALS |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
45.0 ± 2.2 | 452. | B | Beak, Mueller, et al., 1974 | Based 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
By formula: C6H7NS = C6H7NS
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.5 ± 1.2 | kcal/mol | Ciso | Beak, Mueller, et al., 1974 | liquid phase; solvent: 1,2-Dichloroethane; #LED |
ΔrH° | -27.9 ± 3.9 | kcal/mol | Ciso | Beak, Mueller, et al., 1974 | gas 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 ± 0.02 | EI | Gronneberg and Undheim, 1972 | LLK |
7.6 ± 0.03 | PE | Cook, El-Abbady, et al., 1977 | Vertical 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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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 |
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.
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
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Notes
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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- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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