thionyl dibromide
- Formula: Br2OS
- Molecular weight: 207.872
- IUPAC Standard InChI: InChI=1S/Br2OS/c1-4(2)3
- IUPAC Standard InChIKey: HFRXJVQOXRXOPP-UHFFFAOYSA-N
- CAS Registry Number: 507-16-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Thionyl bromide
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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:
AC - William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 10.4 | 330. | Dykyj, Svoboda, et al., 1999 | Based on data from 313. to 439. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 266.4 to 412.7 | 5.33815 | 2231.287 | 5.082 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Vibrational and/or electronic energy levels
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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: Takehiko Shimanouchi
Symmetry: Cs Symmetry Number σ = 1
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a' | 1 | SO str | 1121 | D | 1121 p | gas | ||||
| a' | 2 | SBr s-str | 405 | D | 405 p | liq. | ||||
| a' | 3 | OSBr deform | 267 | D | 267 p | liq. | ||||
| a' | 4 | SBr2 scis | 120 | D | 120 p | liq. | ||||
| a | 5 | SBr2 a-str | 379 | D | 379 dp | liq. | ||||
| a | 6 | OSBr deform | 223 | D | 223 dp | liq. | ||||
Source: Shimanouchi, 1972
Notes
| p | Polarized |
| dp | Depolarized |
| D | 6~15 cm-1 uncertainty |
References
Go To: Top, Phase change 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.
Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R.,
Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [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
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- Symbols used in this document:
ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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