Iodomethyl methyl sulfide
- Formula: C2H5IS
- Molecular weight: 188.031
- IUPAC Standard InChI: InChI=1S/C2H5IS/c1-4-2-3/h2H2,1H3
- IUPAC Standard InChIKey: LXXKITJEFGLJNW-UHFFFAOYSA-N
- CAS Registry Number: 43034-68-0
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Vibrational and/or electronic energy levels, References, Notes
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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 6.4 ± 1.5 | kcal/mol | Kin | Shum and Benson, 1985 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry 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 by: Marilyn E. Jacox
State: ?
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| Tx = 29900 | Ar | Maier, Flogel, et al., 1991 | |||||
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| 3019.6 | w | Ar | IR | Maier, Flogel, et al., 1991 | |||
| 2935.2 | w | Ar | IR | Maier, Flogel, et al., 1991 | |||
| 1420.4 | w | Ar | IR | Maier, Flogel, et al., 1991 | |||
| 1412.2 | m | Ar | IR | Maier, Flogel, et al., 1991 | |||
| 1371.7 | m | Ar | IR | Maier, Flogel, et al., 1991 | |||
| 1310.4 | m | Ar | IR | Maier, Flogel, et al., 1991 | |||
| 1028.4 | w m | Ar | IR | Maier, Flogel, et al., 1991 | |||
| 971.5 | s | Ar | IR | Maier, Flogel, et al., 1991 | |||
| 962.3 | s | Ar | IR | Maier, Flogel, et al., 1991 | |||
| 719.3 | vs | Ar | IR | Maier, Flogel, et al., 1991 | |||
| 529.4 | m | Ar | IR | Maier, Flogel, et al., 1991 | |||
Additional references: Jacox, 1994, page 418
Notes
| w | Weak |
| m | Medium |
| s | Strong |
| vs | Very strong |
| x | Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state. |
References
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Shum and Benson, 1985
Shum, L.G.S.; Benson, S.W.,
Iodine catalyzed pyrolysis of dimethyl sulfide. Heats of formaton of CH3SCH2I, the CH3SCH2 radical, and the pibond energy in CH2S,
Int. J. Chem. Kinet., 1985, 17, 277-292. [all data]
Maier, Flogel, et al., 1991
Maier, G.; Flogel, U.; Reisenauer, H.P.; Hess, B.A., Jr.; Schaad, L.J.,
Photoisomerisierung von Halogendimethylsulfiden,
Chem. Ber., 1991, 124, 11, 2603, https://doi.org/10.1002/cber.19911241133
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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