Phenol, 2,4,6-tribromo-
- Formula: C6H3Br3O
- Molecular weight: 330.799
- IUPAC Standard InChIKey: BSWWXRFVMJHFBN-UHFFFAOYSA-N
- CAS Registry Number: 118-79-6
- 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: Bromkal Pur 3; Bromol; Flammex 3BP; 2,4,6-Tribromophenol; TA 10; Emery 9332; FR-613; Great Lakes PH-73; 1,3,5-Tribromo-2-hydroxybenzene; NSC 2136; TBP; PH 73
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Condensed phase thermochemistry 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -101. ± 4. | kJ/mol | Cm | Allott and Finch, 1989 | Bromination of phenol; ALS |
ΔfH°solid | -98.5 ± 2.3 | kJ/mol | Ccr | Allot and Finch, 1987 | The mean of Heat of formations recomended by author; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -2689.2 ± 3.5 | kJ/mol | Ccr | Allot and Finch, 1987 | The mean of Heat of formations recomended by author; ALS |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
172.0 | 298.15 | Allot and Finch, 1987 | Cp given as 0.52 J/g*K.; DH |
Phase change data
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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
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 |
---|---|---|---|---|---|
Tfus | 368.65 | K | N/A | Beringer, Brierley, et al., 1953 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 368. | K | N/A | Timmermans, 1935 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tfus | 366. | K | N/A | Robertson, 1902 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 97.6 ± 1.1 | kJ/mol | C | Allot and Finch, 1987 | The mean of Heat of formations recomended by author; ALS |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
559.2 | 0.995 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
20.9 | 367.5 | Kuramochi, Maeda, et al., 2004 | AC |
18.52 | 366.2 | Acree, 1991 | AC |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Allott and Finch, 1989
Allott, P.H.; Finch, A.,
The sequential bromination of phenols,
Thermochim. Acta, 1989, 146, 371-374. [all data]
Allot and Finch, 1987
Allot, P.H.; Finch, A.,
Enthalpies of formation of 2,4,6-tribromophenol and of 2,4,6-tribromoaniline,
J. Chem. Thermodyn., 1987, 19, 771-779. [all data]
Beringer, Brierley, et al., 1953
Beringer, F.M.; Brierley, A.; Drexler, M.; Gindler, E.M.; Lumpkin, C.C.,
Diaryliodonium Salts II. The Phenylation of Organic and Inorganic Bases,
J. Am. Chem. Soc., 1953, 75, 2708. [all data]
Timmermans, 1935
Timmermans, J.,
Researches in Stoichiometry. I. The Heat of Fusion of Organic Compounds.,
Bull. Soc. Chim. Belg., 1935, 44, 17-40. [all data]
Robertson, 1902
Robertson, P.W.,
Atomic and molecular heats of fusion.,
J. Chem. Soc., 1902, 81, 1233. [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]
Kuramochi, Maeda, et al., 2004
Kuramochi, Hidetoshi; Maeda, Kouji; Kawamoto, Katsuya,
WATER SOLUBILITY AND PARTITIONING BEHAVIOR OF BROMINATED PHENOLS,
Environ Toxicol Chem, 2004, 23, 6, 1386, https://doi.org/10.1897/03-279
. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid Tboil Boiling point Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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