4(1H)-Pyridinethione,1-methyl-
- Formula: C6H7NS
- Molecular weight: 125.191
- IUPAC Standard InChI: InChI=1S/C6H7NS/c1-7-4-2-6(8)3-5-7/h2-5H,1H3
- IUPAC Standard InChIKey: AXSKLZVLVONUIC-UHFFFAOYSA-N
- CAS Registry Number: 6887-59-8
- Chemical structure:
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Phase change data
Go To: Top, Gas phase ion energetics data, References, Notes
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 |
Gas phase ion energetics data
Go To: Top, Phase change data, References, Notes
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 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, 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]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
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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