Acetic acid, dibromo-
- Formula: C2H2Br2O2
- Molecular weight: 217.844
- IUPAC Standard InChI: InChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)
- IUPAC Standard InChIKey: SIEILFNCEFEENQ-UHFFFAOYSA-N
- CAS Registry Number: 631-64-1
- 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: Dibromoacetic acid; Dibromoethanoic acid
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Condensed phase 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: Eugene S. Domalski and Elizabeth D. Hearing
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 29.799 | 301.37 | Glasgow and Timmerman, 1961 | T = -180 to 37°C. Value is unsmoothed experimental datum. |
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 by: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference |
|---|---|---|
| 402.2 | 0.021 | Aldrich Chemical Company Inc., 1990 |
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 by: John E. Bartmess
De-protonation reactions
C2HBr2O2- + =
By formula: C2HBr2O2- + H+ = C2H2Br2O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 328.3 ± 2.2 | kcal/mol | G+TS | Caldwell, Renneboog, et al., 1989 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 321.3 ± 2.0 | kcal/mol | IMRE | Caldwell, Renneboog, et al., 1989 | gas phase |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Glasgow and Timmerman, 1961
Glasgow, A.R.; Timmerman, J.,
Some physical properties of monochloro-, dichloro-, and monobromoacetic acids at 1 atmosphere,
Bull. Soc. Chim. Belg., 1961, 70, 599-622. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P.,
Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria,
Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092
. [all data]
Notes
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- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid Tboil Boiling point ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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