iodine bromide
- Formula: BrI
- Molecular weight: 206.808
- IUPAC Standard InChI: InChI=1S/BrI/c1-2
- IUPAC Standard InChIKey: CBEQRNSPHCCXSH-UHFFFAOYSA-N
- CAS Registry Number: 7789-33-5
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Other names: Iodine monobromide
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Gas 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 40.88 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 258.95 | J/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1966 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 2300. | 2300. to 6000. |
|---|---|---|
| A | 36.40662 | -68.13770 |
| B | 3.406124 | 46.36541 |
| C | -2.681672 | -4.978834 |
| D | 0.845252 | 0.113884 |
| E | -0.059110 | 142.8317 |
| F | 29.69556 | 233.0902 |
| G | 301.7752 | 312.5971 |
| H | 40.87806 | 40.87806 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1966 | Data last reviewed in December, 1966 |
Reaction thermochemistry data
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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: Br2I- + BrI = (Br2I- • BrI)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 83.26 | kJ/mol | Ther | Finch, Gates, et al., 1977 | gas phase; Structure appears to be BrIBr-: Sanov, Sanford, et al., 1999; B |
| ΔrH° | 159.8 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeF4-; ; ΔS(EA)=5.7; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 114.2 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeF4-; ; ΔS(EA)=5.7; B |
+
=
+
By formula: C2H2BrF3 + I2 = C2H2F3I + BrI
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 28. ± 2. | kJ/mol | Eqk | Buckley, Ford, et al., 1980 | gas phase; GLC;hf298_gas[kcal/mol]=-166.8±1.1; Kolesov and Papina, 1983; ALS |
+
=
+
By formula: I2 + CBrF3 = CF3I + BrI
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 40.0 ± 0.1 | kJ/mol | Eqk | Lord, Goy, et al., 1967 | gas phase; ALS |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Finch, Gates, et al., 1977
Finch, A.; Gates, P.N.; Peake, S.J.,
Thermochemistry of polyhalides. III. Cesium and rubidium tetrachloroiodates,
J. Inorg. Nucl. Chem., 1977, 39, 2135. [all data]
Sanov, Sanford, et al., 1999
Sanov, A.; Sanford, T.; Butler, L.J.; Vala, J.; Kosloff, R.; Lineberger, W.C.,
Photodissociation dynamics of gas-phase BrICl- and IBr2- anions,
J. Phys. Chem. A, 1999, 103, 49, 10244-10254, https://doi.org/10.1021/jp9920803
. [all data]
Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S.,
Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements,
J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l
. [all data]
Buckley, Ford, et al., 1980
Buckley, G.S.; Ford, W.G.F.; Rodgers, A.S.,
The thermochemistry of the gas phase reaction: CF3CH2Br + I2 = CF3CH2I + IBr. Polarity effects in thermochemistry,
Thermochim. Acta, 1980, 42, 349-355. [all data]
Kolesov and Papina, 1983
Kolesov, V.P.; Papina, T.S.,
Thermochemistry of Haloethanes,
Russ. Chem. Rev., 1983, 52, 425. [all data]
Lord, Goy, et al., 1967
Lord, A.; Goy, C.A.; Pritchard, H.O.,
The heats of formation of trifluoromethyl chloride and bromide,
J. Phys. Chem., 1967, 71, 2705-2707. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions 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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