Bromine - The NIST WebBook

Bromine

• Formula: Br2
• Molecular weight: 159.808
• IUPAC Standard InChI: InChI=1S/Br2/c1-2 Copy
• IUPAC Standard InChIKey: GDTBXPJZTBHREO-UHFFFAOYSA-N Copy
• 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 View 3d structure (requires JavaScript / HTML 5)
• 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:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data (reactions 1 to 50)
  • Gas phase ion energetics data
  • Ion clustering data
  • Mass spectrum (electron ionization)
  • Constants of diatomic molecules
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data: reactions 51 to 55
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Constants of diatomic molecules, 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	30.91 ± 0.11	kJ/mol	Review	Cox, Wagman, et al., 1984	CODATA Review value
ΔfH°gas	30.91	kJ/mol	Review	Chase, 1998	Data last reviewed in June, 1982
Quantity	Value	Units	Method	Reference	Comment
S°gas,1 bar	245.468 ± 0.005	J/mol*K	Review	Cox, Wagman, et al., 1984	CODATA Review value
S°gas,1 bar	245.38	J/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 (J/mol*K) H° = standard enthalpy (kJ/mol) S° = standard entropy (J/mol*K) t = temperature (K) / 1000.

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View table.

Temperature (K)	332.503 to 3400.	3400. to 6000.
A	38.52723	34.99288
B	-1.976835	9.252248
C	1.526107	-2.361588
D	-0.198398	0.154336
E	-0.185815	-43.07637
F	18.87620	-7.467771
G	291.4863	273.6303
H	30.91001	30.91001
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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Constants of diatomic molecules, 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	152.21 ± 0.30	J/mol*K	Review	Cox, Wagman, et al., 1984	CODATA Review value

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Constants of diatomic molecules, 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: TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director AC - William E. Acree, Jr., James S. Chickos

Quantity	Value	Units	Method	Reference	Comment
Tfus	266.0	K	N/A	Weber, 1912	Uncertainty assigned by TRC = 0.3 K; TRC
Tfus	254.15	K	N/A	Serullas, 1827	Uncertainty assigned by TRC = 10. K; TRC

Enthalpy of vaporization

ΔvapH (kJ/mol)	Temperature (K)	Method	Reference	Comment
29.8	358.	N/A	Blair and Ihle, 1973	Based on data from 343. to 383. K.; AC
31.3	312.	N/A	Fischer and Bingle, 1955	Based on data from 297. to 389. K.; AC
17.6	206.	C	Giauque and Wiebe, 1928	AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C)) P = vapor pressure (bar) T = temperature (K)

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Temperature (K)	A	B	C	Reference	Comment
343. to 383.	4.70827	1562.264	0.628	Blair and Ihle, 1973	Coefficents calculated by NIST from author's data.
224.5 to 331.4	2.94529	638.258	-115.144	Stull, 1947	Coefficents calculated by NIST from author's data.

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Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Constants of diatomic molecules, 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°	-150. ± 12.	kJ/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), -254.0 ± 8.4 kJ/mol, and Mo(Cp)(CO)3(Br)(cr) + Br2(solution) = Mo(Cp)(CO)2(Br)3(solution) + CO(solution), -104.2 ± 8.4 kJ/mol; MS

C16H10Mo2O6 (cr) + (solution) = 2 (cr)

By formula: C16H10Mo2O6 (cr) + Br2 (solution) = 2C8H5BrMoO3 (cr)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-177. ± 17.	kJ/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), -384.9 ± 4.2 kJ/mol, and Mo(Cp)(CO)3(Br)(cr) + Br2(solution) = Mo(Cp)(CO)2(Br)3(solution) + CO(solution), -104.2 ± 8.4 kJ/mol; MS

+ = ( • )

By formula: Br- + Br2 = (Br- • Br2)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	127. ± 7.1	kJ/mol	CIDT	Nizzi, Pommerening, et al., 1998	gas phase; B
ΔrH°	141.0	kJ/mol	N/A	Check, Faust, et al., 2001	gas phase; Fe-; ; ΔS(EA)=5.8; B
Quantity	Value	Units	Method	Reference	Comment
ΔrG°	94.14	kJ/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°	-120.9	kJ/mol	Cm	Lister, 1941	gas phase; Heat of bromination at 300 K; ALS
ΔrH°	-123.2 ± 0.84	kJ/mol	Cm	Conn, Kistiakowsky, et al., 1938	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -123.8 ± 0.84 kJ/mol; At 355 °K; ALS

+ =

By formula: C4H8 + Br2 = C4H8Br2

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-121.1 ± 0.84	kJ/mol	Cm	Conn, Kistiakowsky, et al., 1938	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -121.7 ± 0.84 kJ/mol; At 355 °K; ALS

+ =

By formula: C2H4 + Br2 = C2H4Br2

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-120.9 ± 1.3	kJ/mol	Cm	Conn, Kistiakowsky, et al., 1938	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -121.6 ± 1.3 kJ/mol; At 355 °K; ALS

+ =

By formula: C3H6 + Br2 = C3H6Br2

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-122.5 ± 0.84	kJ/mol	Cm	Conn, Kistiakowsky, et al., 1938	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -123.1 ± 0.84 kJ/mol; At 355 °K; ALS

+ = +

By formula: HBr + C7H7Br = C7H8 + Br2

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	33.9 ± 4.2	kJ/mol	Eqk	Benson and Buss, 1957	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 33. ± 4. kJ/mol; ALS

= +

By formula: CBr2O = CO + Br2

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	33.9 ± 0.42	kJ/mol	Eqk	Dunning and Pritchard, 1972	gas phase; ALS
ΔrH°	4.3 ± 0.4	kJ/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°	-665.3 ± 4.2	kJ/mol	RSC	Clarke and Price, 1968	Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

(l) + 2 (l) = 2 (g) + (cr)

By formula: C2H6Hg (l) + 2Br2 (l) = 2CH3Br (g) + Br2Hg (cr)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-302.1 ± 2.5	kJ/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°	-226.6 ± 0.9	kJ/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°	-202.1 ± 2.9	kJ/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°	-254.0 ± 8.4	kJ/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°	-66.0 ± 2.9	kJ/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°	-293.9 ± 2.1	kJ/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°	-384.9 ± 4.2	kJ/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°	31.1 ± 8.4	kJ/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°	-104.2 ± 8.4	kJ/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°	-194.5 ± 7.8	kJ/mol	HAL-HFC	Connor, Zafarani-Moattar, et al., 1982	MS

+ =

By formula: Br2 + C8H14 = C8H14Br2

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-122.63	kJ/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°	-173. ± 3.	kJ/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°	-161. ± 2.	kJ/mol	HAL-HFC	Connor, Zafarani-Moattar, et al., 1982	MS

+ =

By formula: C6H10 + Br2 = C6H10Br2

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-140.71	kJ/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°	-127.4	kJ/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°	-126.5	kJ/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°	-119.7 ± 2.5	kJ/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°	-209. ± 3.	kJ/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°	-161. ± 5.	kJ/mol	HAL-HFC	Connor, Zafarani-Moattar, et al., 1982	MS

+ 0.5 = + 0.5

By formula: C7H7Br + 0.5H2 = C7H8 + 0.5Br2

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-4. ± 2.	kJ/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°	-669.6 ± 6.6	kJ/mol	RSC	Akkerman, Schat, et al., 1983	MS

+ =

By formula: C2F4 + Br2 = C2Br2F4

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-161.0	kJ/mol	Cm	Lacher, Casali, et al., 1956	gas phase; Heat of bromination; ALS

2 + = + 2

By formula: 2C6H5Br + Br2Hg = C12H10Hg + 2Br2

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	328.6 ± 3.3	kJ/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°	-263.6 ± 8.2	kJ/mol	HAL-HFC	Connor, Zafarani-Moattar, et al., 1982	MS

+ 2 = 2 +

By formula: H2 + 2CH3Br = 2CH4 + Br2

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-28. ± 3.	kJ/mol	Chyd	Adams, Carson, et al., 1966	liquid phase; ALS

+ =

By formula: C4H8 + Br2 = C4H8Br2

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-126.3 ± 0.84	kJ/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°	-127.2 ± 0.84	kJ/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°	-5.1 ± 0.7	kJ/mol	Eqk	Jwo, Huang, et al., 1987	solid phase; HPLC; ALS

+ =

By formula: Br2 + C2ClF3 = C2Br2ClF3

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-132.3	kJ/mol	Cm	Lacher, Casali, et al., 1956	gas phase; Heat of bromination; ALS

Br3- + = (Br3- • )

By formula: Br3- + Br2 = (Br3- • Br2)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	38. ± 7.1	kJ/mol	CIDT	Nizzi, Pommerening, et al., 1998	gas phase; B

(cr) + 0.5 (g) = (cr) + 5 (g)

By formula: C5BrMnO5 (cr) + 0.5Br2 (g) = Br2Mn (cr) + 5CO (g)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	9.9 ± 1.8	kJ/mol	HAL-HFC	Connor, Zafarani-Moattar, et al., 1982	MS

+ 2 = 2 +

By formula: H2 + 2C2H5Br = 2C2H6 + Br2

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	23. ± 13.	kJ/mol	Chyd	Ashcroft, Carson, et al., 1965	liquid phase; ALS

+ = +

By formula: CHCl3 + Br2 = HBr + CBrCl3

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-5.9 ± 0.4	kJ/mol	Eqk	Mendenhall, Golden, et al., 1973	gas phase; ALS

+ = +

By formula: CH2F2 + Br2 = HBr + CHBrF2

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-39.9 ± 0.3	kJ/mol	Eqk	Okafo and Whittle, 1974	gas phase; ALS

+ = +

By formula: CCl4 + Br2 = BrCl + CBrCl3

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	37. ± 1.	kJ/mol	Eqk	Mendenhall, Golden, et al., 1973	gas phase; ALS

+ = +

By formula: CHF3 + Br2 = HBr + CBrF3

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-14.	kJ/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°	-7. ± 3.	kJ/mol	Eqk	King, Golden, et al., 1971, 2	gas phase; ALS

+ = +

By formula: HBr + CBrF3 = CHF3 + Br2

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	19.2 ± 1.0	kJ/mol	Eqk	Coomber and Whittle, 1967	gas phase; ALS

+ = +

By formula: CH4 + Br2 = HBr + CH3Br

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-26.4 ± 0.7	kJ/mol	Eqk	Ferguson, Okafo, et al., 1973	gas phase; ALS

= +

By formula: C4H8Br2 = C4H8 + Br2

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	139.7 ± 0.46	kJ/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, Phase change data, Reaction thermochemistry data, Ion clustering data, Mass spectrum (electron ionization), Constants of diatomic molecules, 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

+ =

By formula: Br- + H+ = HBr

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	1353.69 ± 0.21	kJ/mol	D-EA	Blondel, Cacciani, et al., 1989	gas phase; reported: 27129.170±0.015 cm-1; B
ΔrH°	1353. ± 8.8	kJ/mol	G+TS	Taft and Bordwell, 1988	gas phase; B
ΔrH°	1341.4	kJ/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°	1331.8 ± 0.63	kJ/mol	H-TS	Blondel, Cacciani, et al., 1989	gas phase; reported: 27129.170±0.015 cm-1; B
ΔrG°	1331. ± 8.4	kJ/mol	IMRE	Taft and Bordwell, 1988	gas phase; B
ΔrG°	1319.6	kJ/mol	N/A	Check, Faust, et al., 2001	gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Constants of diatomic molecules, References, Notes

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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

+ = ( • )

By formula: Br- + Br2 = (Br- • Br2)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	127. ± 7.1	kJ/mol	CIDT	Nizzi, Pommerening, et al., 1998	gas phase
ΔrH°	141.0	kJ/mol	N/A	Check, Faust, et al., 2001	gas phase; Fe-; ; ΔS(EA)=5.8
Quantity	Value	Units	Method	Reference	Comment
ΔrG°	94.14	kJ/mol	N/A	Check, Faust, et al., 2001	gas phase; Fe-; ; ΔS(EA)=5.8

Br3- + = (Br3- • )

By formula: Br3- + Br2 = (Br3- • Br2)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	38. ± 7.1	kJ/mol	CIDT	Nizzi, Pommerening, et al., 1998	gas phase

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner	NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	J. PASSMORE, DEP. CHEM., NEW BRUNSWICK UNIV., CANADA
NIST MS number	98246

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Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through September, 1976

Symbols used in the table of constants

Symbol	Meaning
State	electronic state and / or symmetry symbol
Te	minimum electronic energy (cm-1)
ωe	vibrational constant – first term (cm-1)
ωexe	vibrational constant – second term (cm-1)
ωeye	vibrational constant – third term (cm-1)
Be	rotational constant in equilibrium position (cm-1)
αe	rotational constant – first term (cm-1)
γe	rotation-vibration interaction constant (cm-1)
De	centrifugal distortion constant (cm-1)
βe	rotational constant – first term, centrifugal force (cm-1)
re	internuclear distance (Å)
Trans.	observed transition(s) corresponding to electronic state
ν00	position of 0-0 band (units noted in table)

Diatomic constants for 79Br2

State	Te	ωe	ωexe	ωeye	Be	αe	γe	De	βe	re	Trans.	ν00
Rydberg	Fragments of additional Rydberg series converging to A 2Πu of Br2+.
	↳missing citation
	Rydberg series converging to X2 2Πg,3/2 of Br2+ : ν = 88306 1 - R/(n-δ)2 , δ = 2.416, 2.446, 2.591, 2.629, n = 5,6,7.
	↳missing citation
	Rydberg series converging to X1 2Πg,3/2 of Br2+ : ν = 85165 2 - R/(n-1.843)2 ,n=5,...,12.
	↳missing citation
	Rydberg series converging to X1 2Πg,3/2 of Br2+ : ν = 85165 2 - R/(n-1.938)2 ,n=5,...,18.
	↳missing citation
	Rydberg series converging to X1 2Πg,3/2 of Br2+ : ν = 85165 2 - R/(n-δ)2 , δ = 2.225, 2.422, 2.593, n = 5,...,20.
	↳missing citation
State	Te	ωe	ωexe	ωeye	Be	αe	γe	De	βe	re	Trans.	ν00
N	76537	230 3	N ← X R	76491 H
	↳missing citation
M	74060	241 3 H	(0.3)	M ← X R	74019 H
	↳missing citation
L	72727	218 3 H	3	L ← X R	72674 H
	↳missing citation
Several groups of diffuse emission bands in the region 23600 - 50000 cm-1 have been assigned Venkateswarlu, 1947 to transitions from four states at 47000, 55534, 61444, 66500 cm-1 to various repulsive states arising from Br(2P3/2,1/2) + Br(2P3/2,1/2) .
↳Venkateswarlu, 1947
State	Te	ωe	ωexe	ωeye	Be	αe	γe	De	βe	re	Trans.	ν00
(K ) 4	(K) ← X
	↳Venkateswarlu, 1969
(K)	293 3 5	l → X R	62266 H
	↳Haranath and Rao, 1958
(K )	426 3 5	M → X V	60879 H
	↳Haranath and Rao, 1958
(K)	281 3 5	L → X R	59855 H
	↳Haranath and Rao, 1958
	6
	↳Rao and Venkateswarlu, 1964
State	Te	ωe	ωexe	ωeye	Be	αe	γe	De	βe	re	Trans.	ν00
H	(56820)	108 3 7	1.5	H → B	(40890) 7
	↳Verma, 1958
G	56337	(255) $eH	G → X $gR	56303 H
	↳Haranath and Rao, 1958
F	52191	(120) 3 H	F → X 8 R	52090 H
	↳Haranath and Rao, 1958
E	51634.0	150.9 3	0.495 9	E ↔ B 10	35724 3
	↳Venkateswarlu and Verma, 1958; missing citation; Wieland, Tellinghuisen, et al., 1972
State	Te	ωe	ωexe	ωeye	Be	αe	γe	De	βe	re	Trans.	ν00
D	48499	162 3	0.29	D → B	32595
	↳Venkateswarlu and Verma, 1958, 2
C 1Πu 1u	(24000) 11	C 12 ← X	(24000)
	↳Cordes and Sponer, 1930; Aickin and Bayliss, 1938; Mulliken, 1940; Rees, 1947; Bayliss and Sullivan, 1954; Coxon, 1973
B 3Πu 0u+	15902.47	167.607 Z	1.6361 13	-0.009369	0.059589 14 15 16	0.0004891	3.013E-08 17	2.67757	B ↔ X 12 18 16 R	15823.47 Z
	↳missing citation; missing citation; Holzer, Murphy, et al., 1970; Barrow, Clark, et al., 1974; Ault, Howard, et al., 1975
A 3Πu 1u	13905	153 3 H	2.7 19	0.0588 20 21	(0.0008)	2.695	A ↔ X 12 18 21 R	13818 22
	↳Horsley, 1967; missing citation; Coxon, 1972
State	Te	ωe	ωexe	ωeye	Be	αe	γe	De	βe	re	Trans.	ν00
X 1Σg+	0	325.321 Z	1.0774	-0.002298	0.082107 23	0.0003187	-0.000001045	2.092E-08 17	2.28105 24

Notes

1	The interval of 3141 cm-1 between X1 2Π3/2 and X2 2Π1/2 of Br2+ derived from the Rydberg series does not agree with the value 2820 cm-1 from the photoelectron spectrum Cornford, Frost, et al., 1971. The discrepancy may be accounted for by assuming that instead of v'=0 as suggested in Venkateswarlu, 1969 the 2Π1/2 series listed here have v'=2 while the 2Π3/2 series have v'=1 (see 2).
2	According to the photoionization and photoelectron value of the ionization potential (see 26) the five 2Π3/2 Rydberg series in the table refer to v'=l. Vibrational structure; see Venkateswarlu, 1969.
3	Normal isotopic mixture.
4	Extensive system of absorption bands in the region 59000 - 67000 cm-1; no analysis. This system may include transitions to the upper states of:
5	a) emission systems of Haranath and Rao, 1958
6	b) a long resonance series (63817 - 53779 cm-1).
7	The vibrational analysis is doubtful since only v"=21-32 were observed. v00 (extrapolated) and Te are different from Verma, 1958 to allow for the new data on the B state Barrow, Clark, et al., 1974.
8	System H-X of Haranath and Rao, 1958, not observed in absorption.
9	ωeze= +0.000065; vibrational constants from the reanalysis Wieland, Tellinghuisen, et al., 1972 of the emission data of Venkateswarlu and Verma, 1958 and the absorption data of Briggs and Norrish, 1963. See 10 .
10	It is not entirely certain that the lower state is B 3Πu,0+ and not A 3Πu,1.
11	Several absorption continua beyond 19580 cm-1 corresponding to a number of electronic transitions including that to C 1Πu with maximum at 24000 cm-1.
12	Also observed in magnetic circular dichroism Brith, Rowe, et al., 1975 and photofragment Oldman, Sander, et al., 1975 spectra. The latter authors confirm Mulliken's Mulliken, 1940 prediction that C 1Πu dissociates into 2Π3/2 + 2Π3/2 and observe evidence for several excited g states by two-photon photofragment studies near 28000 and 38000 cm-1.
13	(for v≤8). Vibrational levels observed to v=55, dissociation limit (2P3/2+2P1/2) at 19579.76 cm-1 above X 1Σg+(v=0,J=0). See 16. Absorption in the B 0u+ continuum Bondybey, Bearder, et al., 1976.
14	Hfs observed in v=12 (81Br2) and v=17(79Br2); see Eng and LaTourrette, 1974.
15	Predissociation was observed Lum and McAfee, 1975, Lum and Hozack, 1975 for v=42, J=33 by the laser-molecular beam technique. B → X emitted in the recombination of Br(2P3/2) atoms shows strong enhancement of bands with 5<v'< 10 presumably on account of inverse predissociation Clyne, Coxon, et al., 1971. See also 18.
16	RKR potential function and Franck-Condon factors Coxon, 1971, Barrow, Clark, et al., 1974. For the behavior of the potential function near the dissociation limit 13 see Goscinski, 1972, Yee and Stone, 1973, LeRoy, 1974.
17	Dv and higher order constants in Barrow, Clark, et al., 1974.
18	Estimated radiative lifetimes for A and B range from 1000 to 2000 and 12 to 70 μs, respectively Coxon, 1972, Coxon, 1973, Bondybey, Bearder, et al., 1976. For the B state Capelle, Sakurai, et al., 1971 find total lifetimes of the order of 1 μs; minima (~0.2 μs) occur for v=1 and 14 probably on account of predissociation. For lifetimes near the dissociation limit 13 of B see McAfee and Hozack, 1976.
19	Convergence limit for 79Br2 at 15894.6 cm-1 above X 1Σg+ (v=0,J=0), corresponding to 2P3/2 + 2P3/2. A weak continuous spectrum joins onto the limit and overlaps the main absorption system B ← X; see Sulzmann, Bien, et al., 1967.
20	Extrapolated from v=7; constants for v=0.. .6 have not been determined. Bv, Dv, Hv, and Λ-type doubling constants for v=7...24 in Coxon, 1972.
21	RKR potential function and Franck-Condon factors Coxon, 1972.
22	Based on ΔG'(v=0-7) from low-resolution emission spectra Clyne and Coxon, 1967 of normal Br2 and the origin of the 7-0 79Br2 band at 14739.14 cm-1 derived from Coxon, 1972 and Barrow, Clark, et al., 1974.
23	RKR potential curve Coxon, 1971, Barrow, Clark, et al., 1974. Hfs observed Eng and LaTourrette, 1974 in v=4 (81Br2) and v=7 (79Br2).
24	Raman sp. 29
25	From Barrow, Clark, et al., 1974; corresponding values for 79,81Br2 and 81Br2 are 1.97082 and 1.97095 eV (short extrapolation of B 0u+)
26	From photoionization Dibeler, Walker, et al., 1970; supported by measurements at different temperatures. In good agreement with 10.51 eV obtained by photoelectron spectroscopy Frost, McDowell, et al., 1967, Cornford, Frost, et al., 1971, Potts and Price, 1971. A slightly higher value, 10.56 eV, was derived Venkateswarlu, 1969 from the Rydberg series in the VUV. It is probable that this value refers to v'=1.
27	System J-X of Haranath and Rao, 1958, not observed in absorption.
28	(valid for v≤8).
29	Resonance Raman spectra in the gas Holzer, Murphy, et al., 1970, 2, Baierl and Kiefer, 1975, in solid argon Ault, Howard, et al., 1975; pure rotational Raman spectrum Baierl, Hochenbleicher, et al., 1975.

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Constants of diatomic molecules, 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]

Weber, 1912 Weber, H.C.P., J. Am. Chem. Soc., 1912, 34, 1294. [all data]

Serullas, 1827 Serullas, New Compounds of Bromine. Ethyl Bromide ("Ether Hydro-Bromique"), and Cyanogen Bromide ("Cyanure de Brome"). Solidification of Bromine and of Bromform ("Hydro-carbure de Brome"), Ann. Chim. Phys., 1827, 34, 95. [all data]

Blair and Ihle, 1973 Blair, A.; Ihle, H., The thermal decomposition and thermodynamic properties of uranium pentabromide, Journal of Inorganic and Nuclear Chemistry, 1973, 35, 11, 3795-3803, https://doi.org/10.1016/0022-1902(73)80071-5 . [all data]

Fischer and Bingle, 1955 Fischer, Jack; Bingle, James, The Vapor Pressure of Bromine from 24 to 116° 1, J. Am. Chem. Soc., 1955, 77, 24, 6511-6512, https://doi.org/10.1021/ja01629a026 . [all data]

Giauque and Wiebe, 1928 Giauque, W.F.; Wiebe, R., THE HEAT CAPACITY OF HYDROGEN BROMIDE FROM 15°K. TO ITS BOILING POINT AND ITS HEAT OF VAPORIZATION. THE ENTROPY FROM SPECTROSCOPIC DATA, J. Am. Chem. Soc., 1928, 50, 8, 2193-2202, https://doi.org/10.1021/ja01395a018 . [all data]

Stull, 1947 Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Nolan, López de la Vega, et al., 1986 Nolan, S.P.; López de la Vega, R.; Hoff, C.D., J. Organometal. Chem., 1986, 315, 187. [all data]

Nizzi, Pommerening, et al., 1998 Nizzi, K.E.; Pommerening, C.A.; Sunderlin, L.S., Gas-phase thermochemistry of polyhalide anions, J. Phys. Chem. A, 1998, 102, 39, 7674-7679, https://doi.org/10.1021/jp9824508 . [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]

Lister, 1941 Lister, M.W., Heats of organic reactions. X. Heats of bromination of cyclic olefins, J. Am. Chem. Soc., 1941, 63, 143-149. [all data]

Conn, Kistiakowsky, et al., 1938 Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A., Heats of organic reactions. VII. Addition of halogens to olefins, J. Am. Chem. Soc., 1938, 60, 2764-2771. [all data]

Cox and Pilcher, 1970 Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

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, J. Phys. Chem., 1957, 61, 104-109. [all data]

Dunning and Pritchard, 1972 Dunning, B.K.; Pritchard, H.O., The enthalpy of formation of bromophosgene, J. Chem. Thermodyn., 1972, 4, 213-218. [all data]

Schumacher and Bergmann, 1931 Schumacher, H.-J.; Bergmann, P., Die kinetik und photochemie des bromphosgens, Z. Phys. Chem., 1931, 13, 269-284. [all data]

Clarke and Price, 1968 Clarke, W.D.; Price, S.J.W., Can. J. Chem., 1968, 46, 1633. [all data]

Pedley and Rylance, 1977 Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Cox and Pilcher, 1970, 2 Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds in Academic Press, New York, 1970. [all data]

Hartley, Pritchard, et al., 1950 Hartley, K.; Pritchard, H.O.; Skinner, H.A., Thermochemistry of metallic alkyls. III.?mercury dimethyl and mercury methyl halides, Trans. Faraday Soc., 1950, 46, 1019, https://doi.org/10.1039/tf9504601019 . [all data]

Pedley and Skinner, 1959 Pedley, J.B.; Skinner, H.A., Thermochemistry of metallic alkyls. Part 9.?Heats of bromination of some organo-tin compounds, Trans. Faraday Soc., 1959, 55, 544, https://doi.org/10.1039/tf9595500544 . [all data]

Pedley, Skinner, et al., 1957 Pedley, J.B.; Skinner, H.A.; Chernick, C.L., Thermochemistry of metallic alkyls. Part 8.?Tin tetramethyl, and hexamethyl distannane, Trans. Faraday Soc., 1957, 53, 1612, https://doi.org/10.1039/tf9575301612 . [all data]

Koros, Orban, et al., 1979 Koros, E.; Orban, M.; Nagy, Z., Calorimetric studies on the Belousov-Zhabotinsky oscillatory chemical reaction, Acta Chim. Acad. Sci. Hung., 1979, 100, 449-461. [all data]

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, J. Chem. Thermodyn., 1971, 3, 129-134. [all data]

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., Organomet., 1982, 1, 1166. [all data]

Ashcroft, Carson, et al., 1963 Ashcroft, S.J.; Carson, A.S.; Pedley, J.B., Thermochemistry of reductions caused by lithium aluminium hydride. Part 2.-The heats of formation of benzyl bromide, benzyl iodide and the benzyl radical, Trans. Faraday Soc., 1963, 59, 2713-2717. [all data]

Akkerman, Schat, et al., 1983 Akkerman, O.S.; Schat, G.; Evers, E.A.I.M.; Bickelhaupt, F., Recl. Trav. Chim. Pays-Bas, 1983, 102, 109. [all data]

Lacher, Casali, et al., 1956 Lacher, J.R.; Casali, L.; Park, J.D., Reaction heats of organic halogen compounds V. The vapor phase bromination of tetrafluoroethylene and trifluorochloroethylene, J. Phys. Chem., 1956, 60, 608-610. [all data]

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, J. Chin. Chem. Soc. (Taipei), 1987, 34, 247-256. [all data]

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, Trans. Faraday Soc., 1965, 61, 225-229. [all data]

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, J. Phys. Chem., 1973, 77, 2707-2709. [all data]

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), Trans. Faraday Soc., 1974, 17, 1366-1375. [all data]

Corbett, Tarr, et al., 1963 Corbett, P.; Tarr, A.M.; Whittle, E., Vapour-phase bromination of fluoroform and methane, Trans. Faraday Soc., 1963, 59, 1609. [all data]

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, J. Phys. Chem., 1971, 75, 987-989. [all data]

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]

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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]

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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]

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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]

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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]

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Notes

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• 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
  Tfus	Fusion (melting) point
  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
  ΔvapH	Enthalpy of vaporization

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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