Thiophosgene
- Formula: CCl2S
- Molecular weight: 114.982
- IUPAC Standard InChI: InChI=1S/CCl2S/c2-1(3)4
- IUPAC Standard InChIKey: ZWZVWGITAAIFPS-UHFFFAOYSA-N
- CAS Registry Number: 463-71-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Carbonothioic dichloride; Carbon chlorosulfide; Carbonic dichloride, thio-; Dichlorothiocarbonyl; Thiocarbonyl chloride; Thiocarbonyl dichloride; CSCl2; Carbonyl chloride, thio-; Phosgene, thio-; Thiocarbonic dichloride; Thiofosgen; Thiokarbonylchlorid; UN 2474; Dichlorothioformaldehyde
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Condensed 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°liquid | 21.1 | kJ/mol | Eqk | Raskina, Suvorov, et al., 1972 |
Vibrational and/or electronic energy levels
Go To: Top, Condensed 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: Takehiko Shimanouchi
Symmetry: C2ν Symmetry Number σ = 2
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | CS str | 1137 | C | 1137 VS | gas | 1121 | liq. | ||
| a1 | 2 | CCl2 s-str | 505 | C | 505 M | gas | 496 | liq. | ||
| a1 | 3 | CCl2 scis | 220 | D | 220 VW b | gas | 200 | liq. | ||
| b1 | 4 | CCl2 a-str | 816 | C | 816 | gas | ||||
| b1 | 5 | CS deform | 294 | C | 294 VS | gas | 287 | liq. | ||
| b2 | 6 | op-Bend | 473 | C | 473 W | gas | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| b | Broad |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
References
Go To: Top, Condensed 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.
Raskina, Suvorov, et al., 1972
Raskina, A.D.; Suvorov, B.A.; Zetkin, V.I.; Kolesnikov, I.M.; Zakharov, E.V.,
Calculation of thermodynamic data for reactions of carbon disulfide chlorination,
J. Appl. Chem. USSR, 1972, 45, 683-685. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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