Bromine
- Formula: Br2
- Molecular weight: 159.808
- IUPAC Standard InChIKey: GDTBXPJZTBHREO-UHFFFAOYSA-N
- CAS Registry Number: 7726-95-6
- 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: Br2; Brom; Brome; Bromo; Broom; UN 1744; Dibromine
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Phase change data
- Reaction thermochemistry data: reactions 51 to 55
- Ion clustering data
- Mass spectrum (electron ionization)
- Constants of diatomic molecules
- Data at other public NIST sites:
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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 | 7.388 ± 0.026 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | 7.388 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1982 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 58.668 ± 0.001 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 58.647 | 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) | 332.503 to 3400. | 3400. to 6000. |
---|---|---|
A | 9.208229 | 8.363500 |
B | -0.472475 | 2.211341 |
C | 0.364748 | -0.564433 |
D | -0.047418 | 0.036887 |
E | -0.044411 | -10.29550 |
F | 4.511521 | -1.784841 |
G | 69.66690 | 65.39921 |
H | 7.387670 | 7.387670 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1982 | Data last reviewed in June, 1982 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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 |
---|---|---|---|---|---|
S°liquid | 36.379 ± 0.072 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics 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
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.
Reactions 1 to 50
C8H6MoO3 (cr) + (solution) =
(solution) +
(cr)
By formula: C8H6MoO3 (cr) + Br2 (solution) = HBr (solution) + C8H5BrMoO3 (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -35.8 ± 2.8 | kcal/mol | N/A | Nolan, López de la Vega, et al., 1986 | solvent: Carbon tetrachloride; The reaction enthalpy was calculated Nolan, López de la Vega, et al., 1986 from the experimental values for the enthalpies of the following reactions: Mo(Cp)(CO)3(H)(cr) + 2Br2(solution) = Mo(Cp)(CO)2(Br)3(solution) + HBr(solution) + CO(solution), -60.7 ± 2.0 kcal/mol, and Mo(Cp)(CO)3(Br)(cr) + Br2(solution) = Mo(Cp)(CO)2(Br)3(solution) + CO(solution), -24.9 ± 2.0 kcal/mol; MS |
C16H10Mo2O6 (cr) + (solution) = 2
(cr)
By formula: C16H10Mo2O6 (cr) + Br2 (solution) = 2C8H5BrMoO3 (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -42.2 ± 4.1 | kcal/mol | N/A | Nolan, López de la Vega, et al., 1986 | solvent: Carbon tetrachloride; The reaction enthalpy was calculated Nolan, López de la Vega, et al., 1986 from the experimental values for the enthalpies of the following reactions: [Mo(Cp)(CO)3]2(cr) + 3Br2(solution) = 2Mo(Cp)(CO)2(Br)3(solution) + 2CO(solution), -92.0 ± 1.0 kcal/mol, and Mo(Cp)(CO)3(Br)(cr) + Br2(solution) = Mo(Cp)(CO)2(Br)3(solution) + CO(solution), -24.9 ± 2.0 kcal/mol; MS |
By formula: Br- + Br2 = (Br- • Br2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.4 ± 1.7 | kcal/mol | CIDT | Nizzi, Pommerening, et al., 1998 | gas phase; B |
ΔrH° | 33.70 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; Fe-; ; ΔS(EA)=5.8; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 22.50 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; Fe-; ; ΔS(EA)=5.8; B |
By formula: C4H8 + Br2 = C4H8Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.90 | kcal/mol | Cm | Lister, 1941 | gas phase; Heat of bromination at 300 K; ALS |
ΔrH° | -29.44 ± 0.20 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.59 ± 0.20 kcal/mol; At 355 °K; ALS |
By formula: C4H8 + Br2 = C4H8Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.95 ± 0.20 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.08 ± 0.20 kcal/mol; At 355 °K; ALS |
By formula: C2H4 + Br2 = C2H4Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.90 ± 0.30 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.06 ± 0.30 kcal/mol; At 355 °K; ALS |
By formula: C3H6 + Br2 = C3H6Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -29.27 ± 0.20 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.41 ± 0.20 kcal/mol; At 355 °K; ALS |
By formula: HBr + C7H7Br = C7H8 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.1 ± 1.0 | kcal/mol | Eqk | Benson and Buss, 1957 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 8.0 ± 0.9 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.10 ± 0.10 | kcal/mol | Eqk | Dunning and Pritchard, 1972 | gas phase; ALS |
ΔrH° | 1.0 ± 0.1 | kcal/mol | Eqk | Schumacher and Bergmann, 1931 | gas phase; ALS |
(l) + 3
(l) = Br3In (cr) + 3
(g)
By formula: C3H9In (l) + 3Br2 (l) = Br3In (cr) + 3CH3Br (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -159.0 ± 1.0 | kcal/mol | RSC | Clarke and Price, 1968 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
By formula: C2H6Hg (l) + 2Br2 (l) = 2CH3Br (g) + Br2Hg (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -72.20 ± 0.60 | kcal/mol | RSC | Hartley, Pritchard, et al., 1950 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
(l) +
(g) =
(l) + C3H9BrSn (l)
By formula: C10H16Sn (l) + Br2 (g) = C7H7Br (l) + C3H9BrSn (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -54.2 ± 0.2 | kcal/mol | RSC | Pedley and Skinner, 1959 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
(l) +
(g) = C3H9BrSn (l) +
(g)
By formula: C4H12Sn (l) + Br2 (g) = C3H9BrSn (l) + CH3Br (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -48.30 ± 0.69 | kcal/mol | RSC | Pedley, Skinner, et al., 1957 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
C8H6MoO3 (cr) + 2 (solution) = C7H5Br3MoO2 (solution) +
(solution) +
(solution)
By formula: C8H6MoO3 (cr) + 2Br2 (solution) = C7H5Br3MoO2 (solution) + HBr (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -60.7 ± 2.0 | kcal/mol | RSC | Nolan, López de la Vega, et al., 1986 | solvent: Carbon tetrachloride; MS |
By formula: C3H4O4 + Br2 = HBr + C3H3BrO4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -15.8 ± 0.69 | kcal/mol | Cm | Koros, Orban, et al., 1979 | liquid phase; solvent: Sulfuric acid (1M); Bromination; ALS |
(l) +
(l) = 2C3H9BrSn (l)
By formula: C6H18Sn2 (l) + Br2 (l) = 2C3H9BrSn (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -70.24 ± 0.50 | kcal/mol | RSC | Pedley, Skinner, et al., 1957 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
C16H10Mo2O6 (cr) + 3 (solution) = 2C7H5Br3MoO2 (solution) + 2
(solution)
By formula: C16H10Mo2O6 (cr) + 3Br2 (solution) = 2C7H5Br3MoO2 (solution) + 2CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -92.0 ± 1.0 | kcal/mol | RSC | Nolan, López de la Vega, et al., 1986 | solvent: Carbon tetrachloride; MS |
By formula: HBr + C3H5BrO = C3H6O + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.4 ± 2.0 | kcal/mol | Eqk | King, Golden, et al., 1971 | gas phase; Heat of bromination at 516-618 K; ALS |
(cr) +
(solution) = C7H5Br3MoO2 (solution) +
(solution)
By formula: C8H5BrMoO3 (cr) + Br2 (solution) = C7H5Br3MoO2 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -24.9 ± 2.0 | kcal/mol | RSC | Nolan, López de la Vega, et al., 1986 | solvent: Carbon tetrachloride; MS |
C12H7MnO5 (cr) + 1.5 (g) =
(g) +
(cr) + 5
(g)
By formula: C12H7MnO5 (cr) + 1.5Br2 (g) = C7H7Br (g) + Br2Mn (cr) + 5CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -46.5 ± 1.9 | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 | MS |
By formula: Br2 + C8H14 = C8H14Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -29.310 | kcal/mol | Cm | Lister, 1941 | gas phase; Heat of bromination at 300 K; ALS |
C6F3MnO5 (cr) + 1.5 (g) =
(cr) + 5
(g) +
(g)
By formula: C6F3MnO5 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 5CO (g) + CBrF3 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -41.3 ± 0.7 | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 | MS |
C7F3MnO6 (cr) + 1.5 (g) =
(cr) + 6
(g) +
(g)
By formula: C7F3MnO6 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 6CO (g) + CBrF3 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -38.6 ± 0.5 | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 | MS |
By formula: C6H10 + Br2 = C6H10Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -33.630 | kcal/mol | Cm | Lister, 1941 | gas phase; Heat of bromination at 300 K; ALS |
By formula: C7H12 + Br2 = C7H12Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30.44 | kcal/mol | Cm | Lister, 1941 | gas phase; Heat of bromination at 300 K; ALS |
+
= C7H14Br2
By formula: C7H14 + Br2 = C7H14Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30.24 | kcal/mol | Cm | Lister, 1941 | gas phase; Heat of bromination at 300 K; ALS |
By formula: C5H8 + Br2 = C5H8Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.61 ± 0.60 | kcal/mol | Cm | Lister, 1941 | gas phase; Halogenation at 27 C; ALS |
(cr) + 1.5
(g) =
(cr) + 5
(g) +
(g)
By formula: C6H3MnO5 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 5CO (g) + CH3Br (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -50.0 ± 0.7 | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 | MS |
(cr) + 1.5
(g) =
(cr) + 6
(g) +
(g)
By formula: C7H3MnO6 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 6CO (g) + CH3Br (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -38. ± 1. | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 | MS |
By formula: C7H7Br + 0.5H2 = C7H8 + 0.5Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.9 ± 0.5 | kcal/mol | Chyd | Ashcroft, Carson, et al., 1963 | liquid phase; ALS |
C10H22Mg (cr) + (g) +
(l) = 2
(l) + Br2Mg (cr)
By formula: C10H22Mg (cr) + H2 (g) + Br2 (l) = 2C5H12 (l) + Br2Mg (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -160.0 ± 1.6 | kcal/mol | RSC | Akkerman, Schat, et al., 1983 | MS |
By formula: C2F4 + Br2 = C2Br2F4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -38.48 | kcal/mol | Cm | Lacher, Casali, et al., 1956 | gas phase; Heat of bromination; ALS |
By formula: 2C6H5Br + Br2Hg = C12H10Hg + 2Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 78.53 ± 0.80 | kcal/mol | Cm | Chernick, Skinner, et al., 1956 | liquid phase; ALS |
(cr) + 2
(g) = 2
(cr) + 10
(g)
By formula: C10Mn2O10 (cr) + 2Br2 (g) = 2Br2Mn (cr) + 10CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -63.0 ± 2.0 | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 | MS |
By formula: H2 + 2CH3Br = 2CH4 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -6.6 ± 0.6 | kcal/mol | Chyd | Adams, Carson, et al., 1966 | liquid phase; ALS |
By formula: C4H8 + Br2 = C4H8Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30.18 ± 0.20 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; At 355 °K; ALS |
By formula: C5H10 + Br2 = C5H10Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30.40 ± 0.20 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; At 355 °K; ALS |
By formula: C5H6O4 + Br2 = C5H6O4 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.2 ± 0.2 | kcal/mol | Eqk | Jwo, Huang, et al., 1987 | solid phase; HPLC; ALS |
By formula: Br2 + C2ClF3 = C2Br2ClF3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -31.61 | kcal/mol | Cm | Lacher, Casali, et al., 1956 | gas phase; Heat of bromination; ALS |
By formula: Br3- + Br2 = (Br3- • Br2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.1 ± 1.7 | kcal/mol | CIDT | Nizzi, Pommerening, et al., 1998 | gas phase; B |
By formula: C5BrMnO5 (cr) + 0.5Br2 (g) = Br2Mn (cr) + 5CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.4 ± 0.43 | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 | MS |
By formula: H2 + 2C2H5Br = 2C2H6 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.6 ± 3.0 | kcal/mol | Chyd | Ashcroft, Carson, et al., 1965 | liquid phase; ALS |
By formula: CHCl3 + Br2 = HBr + CBrCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.4 ± 0.1 | kcal/mol | Eqk | Mendenhall, Golden, et al., 1973 | gas phase; ALS |
By formula: CH2F2 + Br2 = HBr + CHBrF2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -9.54 ± 0.07 | kcal/mol | Eqk | Okafo and Whittle, 1974 | gas phase; ALS |
By formula: CCl4 + Br2 = BrCl + CBrCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.8 ± 0.3 | kcal/mol | Eqk | Mendenhall, Golden, et al., 1973 | gas phase; ALS |
By formula: CHF3 + Br2 = HBr + CBrF3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.3 | kcal/mol | Eqk | Corbett, Tarr, et al., 1963 | gas phase; At 298 K; ALS |
By formula: CHBr3 + Br2 = HBr + CBr4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.7 ± 0.7 | kcal/mol | Eqk | King, Golden, et al., 1971, 2 | gas phase; ALS |
By formula: HBr + CBrF3 = CHF3 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.59 ± 0.25 | kcal/mol | Eqk | Coomber and Whittle, 1967 | gas phase; ALS |
By formula: CH4 + Br2 = HBr + CH3Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -6.3 ± 0.2 | kcal/mol | Eqk | Ferguson, Okafo, et al., 1973 | gas phase; ALS |
By formula: C4H8Br2 = C4H8 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33.40 ± 0.11 | kcal/mol | Cm | Sunner and Wulff, 1974 | liquid phase; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to Br2+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.517 ± 0.003 | eV | N/A | N/A | L |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
2.42002 | ECD | Ayala, Wentworth, et al., 1981 | Vertical Detachment Energy: 1.60 eV; B |
2.60 ± 0.20 | NBIE | Dispert and Lacmann, 1977 | B |
2.62 ± 0.20 | Endo | Hughes, Lifschitz, et al., 1973 | B |
2.55 ± 0.10 | NBIE | Baeda, 1972 | B |
2.51 ± 0.10 | Endo | Chupka, Berkowitz, et al., 1971 | B |
2.87 ± 0.14 | EIAE | DeCorpo and Franklin, 1971 | From CBr4; B |
1.470 ± 0.050 | NBIE | Hubers, Kleyn, et al., 1976 | Stated electron affinity is the Vertical Detachment Energy; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.518 ± 0.003 | TE | Yencha, Hopkirk, et al., 1995 | LL |
10.516 ± 0.005 | TE | Ruscic and Berkowitz, 1994 | LL |
10.51 ± 0.02 | PI | Monks, Stief, et al., 1994 | LL |
10.5 ± 0.3 | EI | Lau and Hildenbrand, 1987 | LBLHLM |
10.515 ± 0.005 | PE | Van Lonkhuyzen and De Lange, 1984 | LBLHLM |
10.55 | PE | Kimura, Katsumata, et al., 1981 | LLK |
10.52 | EVAL | Huber and Herzberg, 1979 | LLK |
10.8 ± 0.2 | EI | Kaposi, Popovic, et al., 1977 | LLK |
10.51 ± 0.01 | PE | Potts and Price, 1971 | LLK |
10.7 ± 0.1 | EI | DeCorpo and Franklin, 1971 | LLK |
10.51 | PE | Cornford, Frost, et al., 1971 | LLK |
10.52 ± 0.01 | PI | Dibeler, Walker, et al., 1970 | RDSH |
10.56 ± 0.01 | S | Venkateswarlu, 1968 | RDSH |
10.51 | PE | Dyke, Josland, et al., 1984 | Vertical value; LBLHLM |
10.57 | PE | Utsunomiya, Kobayashi, et al., 1976 | Vertical value; LLK |
10.92 | PE | Utsunomiya, Kobayashi, et al., 1976 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
Br+ | 10.48 ± 0.02 | Br- | PI | Morrison, Hurzeler, et al., 1960 | RDSH |
Br+ | 10.38 ± 0.05 | Br- | EI | Frost and McDowell, 1960 | RDSH |
Br+ | 10.31 | Br- | PI | Watanabe, 1957 | RDSH |
Anion protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 323.540 ± 0.050 | kcal/mol | D-EA | Blondel, Cacciani, et al., 1989 | gas phase; reported: 27129.170±0.015 cm-1; B |
ΔrH° | 323.4 ± 2.1 | kcal/mol | G+TS | Taft and Bordwell, 1988 | gas phase; B |
ΔrH° | 320.60 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 318.30 ± 0.15 | kcal/mol | H-TS | Blondel, Cacciani, et al., 1989 | gas phase; reported: 27129.170±0.015 cm-1; B |
ΔrG° | 318.2 ± 2.0 | kcal/mol | IMRE | Taft and Bordwell, 1988 | gas phase; B |
ΔrG° | 315.40 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4; B |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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
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Check, Faust, et al., 2001
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Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements,
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Lister, 1941
Lister, M.W.,
Heats of organic reactions. X. Heats of bromination of cyclic olefins,
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Conn, Kistiakowsky, et al., 1938
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A.,
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Benson and Buss, 1957
Benson, S.W.; Buss, J.H.,
The thermodynamics of bromination of toluene and the heat of formation of the benzyl radical,
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Dunning and Pritchard, 1972
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The enthalpy of formation of bromophosgene,
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Schumacher and Bergmann, 1931
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Die kinetik und photochemie des bromphosgens,
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Pedley and Skinner, 1959
Pedley, J.B.; Skinner, H.A.,
Thermochemistry of metallic alkyls. Part 9.?Heats of bromination of some organo-tin compounds,
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Pedley, Skinner, et al., 1957
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Koros, Orban, et al., 1979
Koros, E.; Orban, M.; Nagy, Z.,
Calorimetric studies on the Belousov-Zhabotinsky oscillatory chemical reaction,
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King, Golden, et al., 1971
King, K.D.; Golden, D.M.; Benson, S.W.,
Thermochemistry of the gas-phase equilibrium CH3COCH3 + Br2 = CH3COCH2Br + HBr. The enthalpy of formation of bromoacetone,
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Connor, Zafarani-Moattar, et al., 1982
Connor, J.A.; Zafarani-Moattar, M.T.; Bickerton, J.; El-Saied, N.I.; Suradi, S.; Carson, R.; Al Takkhin, G.; Skinner, H.A.,
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Ashcroft, Carson, et al., 1963
Ashcroft, S.J.; Carson, A.S.; Pedley, J.B.,
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Akkerman, Schat, et al., 1983
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Reaction heats of organic halogen compounds V. The vapor phase bromination of tetrafluoroethylene and trifluorochloroethylene,
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Chernick, Skinner, et al., 1956
Chernick, C.L.; Skinner, H.A.; Wadso, I.,
Thermochemistry of metallic alkyls. Part 7.-The heat of formation of mercury diphenyl, and of mercury phenyl chloride,
Trans. Faraday Soc., 1956, 52, 1088-1093. [all data]
Adams, Carson, et al., 1966
Adams, G.P.; Carson, A.S.; Laye, P.G.,
Thermochemistry of reductions caused by lithium aluminium hydride. Part 4.-Heat of formation of methyl bromide,
Trans. Faraday Soc., 1966, 62, 1447-1449. [all data]
Jwo, Huang, et al., 1987
Jwo, J-J.; Huang, C-Y.; Chang, E-F.; Wu, R.R.,
Kinetic study of the bromine-catalyzed isomerization of methyl- and chloro-maleic acids in aqueous Ce(IV)-Br- -H2SO4 medium,
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Ashcroft, Carson, et al., 1965
Ashcroft, S.J.; Carson, A.S.; Carter, W.; Laye, P.G.,
Thermochemistry of reductions caused by lithium aluminium hydride. Part 3.- The C-halogen bond dissociation energies in ethyl iodine and ethyl bromide,
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Mendenhall, Golden, et al., 1973
Mendenhall, G.D.; Golden, D.M.; Benson, S.W.,
Thermochemistry of the bromination of carbon tetrachloride and the heat of formation of carbon tetrachloride,
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Okafo and Whittle, 1974
Okafo, E.N.; Whittle, E.,
Bond dissociation energies from equilibrium studies. Part 5.-The equilibria Br2 + CH2F2 = HBr + CHF2Br and Br2 + CH3F = HBr + CH2FBr. Determination of D(CHF2-Br) and ΔH°f (CHF2Br,g),
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Corbett, Tarr, et al., 1963
Corbett, P.; Tarr, A.M.; Whittle, E.,
Vapour-phase bromination of fluoroform and methane,
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King, Golden, et al., 1971, 2
King, K.D.; Golden, D.M.; Benson, S.W.,
Kinetics and thermochemistry of the gas-phase bromination of bromoform. The C-H bond dissociation energy in CHBr3 and the C-Br bond dissociation energy in CBr4,
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Coomber and Whittle, 1967
Coomber, J.W.; Whittle, E.,
Bond dissociation energies from equilibrium studies. Part 1.-D(CF3-Br), D(C2F5-Br) and D(n-C3F7-Br),
Trans. Faraday Soc., 1967, 63, 608-619. [all data]
Ferguson, Okafo, et al., 1973
Ferguson, K.C.; Okafo, E.N.; Whittle, E.,
Bond dissociation energies from equilibrium studies Part 4.-The equilibrium Br2 + CH4 = HBr + CH3Br. Determination of D(CH3-Br) and ΔHf°(CH3Br,g),
J. Chem. Soc. Faraday Trans. 1, 1973, 69, 295-301. [all data]
Sunner and Wulff, 1974
Sunner, S.; Wulff, C.A.,
The enthalpy of formation of 1,1-dibromo-2-methylpropane,
J. Chem. Thermodyn., 1974, 6, 287-292. [all data]
Ayala, Wentworth, et al., 1981
Ayala, J.A.; Wentworth, W.E.; Chen, E.C.M.,
Electron attachment to halogens,
J. Phys. Chem., 1981, 85, 768. [all data]
Dispert and Lacmann, 1977
Dispert, H.; Lacmann, K.,
Chemiionization in alkali-halogen reactions: Evidence for ion formation by alkali dimers,
Chem. Phys. Lett., 1977, 47, 533. [all data]
Hughes, Lifschitz, et al., 1973
Hughes, B.M.; Lifschitz, C.; Tiernan, T.O.,
Electron affinities from endothermic negative-ion charge-transfer reactions. III. NO, NO2, S2, CS2, Cl2, Br2, I2, and C2H,
J. Chem. Phys., 1973, 59, 3162. [all data]
Baeda, 1972
Baeda, A.P.M.,
The adiabatic electron affinities of Cl2, Br2, I2, IBr, NO2, and O2,
Physica, 1972, 59, 541. [all data]
Chupka, Berkowitz, et al., 1971
Chupka, W.A.; Berkowitz, J.; Gutman, D.,
Electron Affinities of Halogen Diatomic Molecules as Determined by Endoergic Charge Exchange,
J. Chem. Phys., 1971, 55, 6, 2724, https://doi.org/10.1063/1.1676487
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DeCorpo and Franklin, 1971
DeCorpo, J.J.; Franklin, J.L.,
Electron affinities of the halogen molecules by dissociative electron attachment,
J. Chem. Phys., 1971, 54, 1885. [all data]
Hubers, Kleyn, et al., 1976
Hubers, M.M.; Kleyn, A.W.; Los, J.,
Ion pair formation in alkali-halogen collisions at high velocities,
Chem. Phys., 1976, 17, 303. [all data]
Yencha, Hopkirk, et al., 1995
Yencha, A.J.; Hopkirk, A.; Hiraya, A.; Donovan, R.J.; Goode, J.G.; Maier, R.R.J.; King, G.C.; Kvaran, A.,
Threshold photoelectron spectroscopy of Cl2 and Br2 up to 35 eV,
J. Phys. Chem., 1995, 99, 7231. [all data]
Ruscic and Berkowitz, 1994
Ruscic, B.; Berkowitz, J.,
Threshold photoelectron spectrum of HOBr,
J. Chem. Phys., 1994, 101, 9215. [all data]
Monks, Stief, et al., 1994
Monks, P.S.; Stief, L.J.; Krauss, M.; Kuo, S.C.; Klemm, R.B.,
A discharge flow-photoionization mass spectrometric study of HOBr (X<1>A'): Photoion yield spectrum, ionization energy, and thermochemistry,
J. Chem. Phys., 1994, 100, 1902. [all data]
Lau and Hildenbrand, 1987
Lau, K.H.; Hildenbrand, D.L.,
Thermochemistry of the gaseous uranium bromides UBr through UBr5(a),
J. Chem. Phys., 1987, 86, 2949. [all data]
Van Lonkhuyzen and De Lange, 1984
Van Lonkhuyzen, H.; De Lange, C.A.,
High-resolution UV photoelectron spectroscopy of diatomic halogens,
Chem. Phys., 1984, 89, 313. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G.,
Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]
Kaposi, Popovic, et al., 1977
Kaposi, O.; Popovic, A.; Marsel, J.,
Mass spectrometric studies of tungsten bromides and oxybromides,
J. Inorg. Nucl. Chem., 1977, 39, 1809. [all data]
Potts and Price, 1971
Potts, A.W.; Price, W.C.,
Photoelectron spectra of the halogens and mixed halides ICI and lBr,
J. Chem. Soc. Faraday Trans., 1971, 67, 1242. [all data]
Cornford, Frost, et al., 1971
Cornford, A.B.; Frost, D.C.; McDowell, C.A.; Ragle, J.L.; Stenhouse, I.A.,
Photoelectron spectra of the halogens,
J. Chem. Phys., 1971, 54, 2651. [all data]
Dibeler, Walker, et al., 1970
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E.,
Threshold for molecular photoionization of bromine,
J. Chem. Phys., 1970, 53, 4715. [all data]
Venkateswarlu, 1968
Venkateswarlu, P.,
Vacuum ultraviolet spectrum of bromine molecule,
Bull. Am. Phys. Soc., 1968, 13, 1666. [all data]
Dyke, Josland, et al., 1984
Dyke, J.M.; Josland, G.D.; Snijders, J.G.; Boerrigter, P.M.,
Ionization energies of the diatomic halogens and interhalogens studied with relativistic hartree-fock-slater calculations,
Chem. Phys., 1984, 91, 419. [all data]
Utsunomiya, Kobayashi, et al., 1976
Utsunomiya, C.; Kobayashi, T.; Nagakura, S.,
Photoelectron spectra of electron donor-acceptor complexes between bromine and alkylamines,
Chem. Phys. Lett., 1976, 39, 245. [all data]
Morrison, Hurzeler, et al., 1960
Morrison, J.D.; Hurzeler, H.; Inghram, M.G.; Stanton, H.E.,
Threshold law for the probability of excitation of molecules by photon impact. A study of the photoionization efficiencies of Br2, I2, HI, and CH3I,
J. Chem. Phys., 1960, 33, 821. [all data]
Frost and McDowell, 1960
Frost, D.C.; McDowell, C.A.,
The ionization and dissociation of some halogen molecules by electron impact,
Can. J. Chem., 1960, 38, 407. [all data]
Watanabe, 1957
Watanabe, K.,
Ionization potentials of some molecules,
J. Chem. Phys., 1957, 26, 542. [all data]
Blondel, Cacciani, et al., 1989
Blondel, C.; Cacciani, P.; Delsart, C.; Trainham, R.,
High Resolution Determination of the Electron Affinity of Fluorine and Bromine using Crossed Ion and Laser Beams,
Phys. Rev. A, 1989, 40, 7, 3698, https://doi.org/10.1103/PhysRevA.40.3698
. [all data]
Taft and Bordwell, 1988
Taft, R.W.; Bordwell, F.G.,
Structural and Solvent Effects Evaluated from Acidities Measured in Dimethyl Sulfoxide and in the Gas Phase,
Acc. Chem. Res., 1988, 21, 12, 463, https://doi.org/10.1021/ar00156a005
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid Entropy of liquid at standard conditions 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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