Bromine
- Formula: Br
- Molecular weight: 79.904
- IUPAC Standard InChIKey: WKBOTKDWSSQWDR-UHFFFAOYSA-N
- CAS Registry Number: 10097-32-2
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, References, Notes
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 | 26.738 ± 0.029 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | 26.735 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1982 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 41.8303 ± 0.001 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 41.831 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1982 |
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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 900. | 900. to 6000. |
---|---|---|
A | 5.090371 | 4.985980 |
B | -0.425130 | 0.488877 |
C | 0.380806 | -0.147883 |
D | 0.069282 | 0.012119 |
E | -0.002795 | -0.228470 |
F | 25.22349 | 24.83260 |
G | 48.08370 | 47.33659 |
H | 26.73521 | 26.73521 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1982 | Data last reviewed in June, 1982 |
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:
MS - José A. Martinho Simões
B - John E. Bartmess
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
C12H4F3IO4W (g) + (g) = C12H4BrF3O4W (g) +
(g)
By formula: C12H4F3IO4W (g) + Br (g) = C12H4BrF3O4W (g) + I (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -13. | kcal/mol | EqS | Fischer and Seitz, 1984 | The reaction enthalpy relies on a single measurement of the equilibrium constant in 1,1,2-trichloroethane (at 263 K) for the reaction W(CO)4(CC6H4CF3)(I)(solution) + Br(-)(solution) = W(CO)4(CC6H4CF3)(Br)(solution) + I(-)(solution), and on solvation and electron affinity data. It assumes that the reaction entropy is negligible Fischer and Seitz, 1984; MS |
C12H7IO4W (g) + (g) = C12H7BrO4W (g) +
(g)
By formula: C12H7IO4W (g) + Br (g) = C12H7BrO4W (g) + I (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -13. | kcal/mol | EqS | Fischer and Seitz, 1984 | The reaction enthalpy relies on a single measurement of the equilibrium constant in 1,1,2-trichloroethane (at 263 K) for the reaction W(CO)4(CC6H4Me)(I)(solution) + Br(-)(solution) = W(CO)4(CC6H4Me)(Br)(solution) + I(-)(solution), and on solvation and electron affinity data. It assumes that the reaction entropy is negligible Fischer and Seitz, 1984; MS |
C11H5IO4W (g) + (g) = C11H5BrO4W (g) +
(g)
By formula: C11H5IO4W (g) + Br (g) = C11H5BrO4W (g) + I (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -13. | kcal/mol | EqS | Fischer and Seitz, 1984 | The reaction enthalpy relies on a single measurement of the equilibrium constant in 1,1,2-trichloroethane (at 263 K) for the reaction W(CO)4(CPh)(I)(solution) + Br(-)(solution) = W(CO)4(CPh)(Br)(solution) + I(-)(solution), and on solvation and electron affinity data. It assumes that the reaction entropy is negligible Fischer and Seitz, 1984; MS |
(CAS Reg. No. 12524-61-7 • 4294967295) +
= CAS Reg. No. 12524-61-7
By formula: (CAS Reg. No. 12524-61-7 • 4294967295Br) + Br = CAS Reg. No. 12524-61-7
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.90 ± 0.15 | kcal/mol | N/A | Sheps, Miller, et al., 2009 | gas phase; Vertical Detachment Energy: 3.341 eV; B |
C4BrClO4Re + = C4Br2O4Re-
By formula: C4BrClO4Re + Br = C4Br2O4Re-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >70.60 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
C4ClO4Re + = C4BrClO4Re-
By formula: C4ClO4Re + Br = C4BrClO4Re-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >70.60 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
C4BrIMnO4 + = C4Br2MnO4-
By formula: C4BrIMnO4 + Br = C4Br2MnO4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >70.60 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
C4ClIMnO4 + = C4BrClMnO4-
By formula: C4ClIMnO4 + Br = C4BrClMnO4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >70.60 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
C6H5O3Re + = C6H5BrO3Re-
By formula: C6H5O3Re + Br = C6H5BrO3Re-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >70.60 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
By formula: C5CrO5- + Br = C5BrCrO5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >70.60 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
By formula: C3NiO3- + Br = C3BrNiO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >70.90 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
By formula: C4FeO4- + Br = C4BrFeO4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >70.60 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
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.
Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.,
CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Fischer and Seitz, 1984
Fischer, H.; Seitz, F.,
J. Organometal. Chem., 1984, 268, 247. [all data]
Sheps, Miller, et al., 2009
Sheps, L.; Miller, E.M.; Lineberger, W.C.,
Photoelectron spectroscopy of small IBr-(CO2)(n), (n=0-3) cluster anions,
J. Chem. Phys., 2009, 131, 6, 064304, https://doi.org/10.1063/1.3200941
. [all data]
Jones, McDonald, et al., 1989
Jones, M.T.; McDonald, R.N.; Schell, P.L.; Ali, M.H.,
Kinetics and Mechanism of Halogen Atom Transfer Reactions between Haloalkanes and Several 17-Electron Transition Metal Complex Negative Ions in the Gas Phase,
J. Am. Chem. Soc., 1989, 111, 16, 5983, https://doi.org/10.1021/ja00198a001
. [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 ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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