Bromine

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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, 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.

Quantity Value Units Method Reference Comment
ΔfH°gas7.388 ± 0.026kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
ΔfH°gas7.388kcal/molReviewChase, 1998Data last reviewed in June, 1982
Quantity Value Units Method Reference Comment
S°gas,1 bar58.668 ± 0.001cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
S°gas,1 bar58.647cal/mol*KReviewChase, 1998Data 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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View table.

Temperature (K) 332.503 to 3400.3400. to 6000.
A 9.2082298.363500
B -0.4724752.211341
C 0.364748-0.564433
D -0.0474180.036887
E -0.044411-10.29550
F 4.511521-1.784841
G 69.6669065.39921
H 7.3876707.387670
ReferenceChase, 1998Chase, 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, 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.

Quantity Value Units Method Reference Comment
S°liquid36.379 ± 0.072cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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 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
Tfus266.0KN/AWeber, 1912Uncertainty assigned by TRC = 0.3 K; TRC
Tfus254.15KN/ASerullas, 1827Uncertainty assigned by TRC = 10. K; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
7.12358.N/ABlair and Ihle, 1973Based on data from 343. to 383. K.; AC
7.48312.N/AFischer and Bingle, 1955Based on data from 297. to 389. K.; AC
4.21206.CGiauque and Wiebe, 1928AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
343. to 383.4.702561562.2640.628Blair and Ihle, 1973Coefficents calculated by NIST from author's data.
224.5 to 331.42.93958638.258-115.144Stull, 1947Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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 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) + Bromine (solution) = Hydrogen bromide (solution) + Cyclopentadienylmolybdenumtricarbonyl bromide (cr)

By formula: C8H6MoO3 (cr) + Br2 (solution) = HBr (solution) + C8H5BrMoO3 (cr)

Quantity Value Units Method Reference Comment
ΔrH°-35.8 ± 2.8kcal/molN/ANolan, López de la Vega, et al., 1986solvent: 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) + Bromine (solution) = 2Cyclopentadienylmolybdenumtricarbonyl bromide (cr)

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

Quantity Value Units Method Reference Comment
ΔrH°-42.2 ± 4.1kcal/molN/ANolan, López de la Vega, et al., 1986solvent: 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

Bromine anion + Bromine = (Bromine anion • Bromine)

By formula: Br- + Br2 = (Br- • Br2)

Quantity Value Units Method Reference Comment
ΔrH°30.4 ± 1.7kcal/molCIDTNizzi, Pommerening, et al., 1998gas phase; B
ΔrH°33.70kcal/molN/ACheck, Faust, et al., 2001gas phase; Fe-; ; ΔS(EA)=5.8; B
Quantity Value Units Method Reference Comment
ΔrG°22.50kcal/molN/ACheck, Faust, et al., 2001gas phase; Fe-; ; ΔS(EA)=5.8; B

1-Butene + Bromine = Butane, 1,2-dibromo-

By formula: C4H8 + Br2 = C4H8Br2

Quantity Value Units Method Reference Comment
ΔrH°-28.90kcal/molCmLister, 1941gas phase; Heat of bromination at 300 K; ALS
ΔrH°-29.44 ± 0.20kcal/molCmConn, Kistiakowsky, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.59 ± 0.20 kcal/mol; At 355 °K; ALS

2-Butene, (E)- + Bromine = erythro-2,3-Dibromobutane

By formula: C4H8 + Br2 = C4H8Br2

Quantity Value Units Method Reference Comment
ΔrH°-28.95 ± 0.20kcal/molCmConn, Kistiakowsky, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.08 ± 0.20 kcal/mol; At 355 °K; ALS

Ethylene + Bromine = Ethane, 1,2-dibromo-

By formula: C2H4 + Br2 = C2H4Br2

Quantity Value Units Method Reference Comment
ΔrH°-28.90 ± 0.30kcal/molCmConn, Kistiakowsky, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.06 ± 0.30 kcal/mol; At 355 °K; ALS

Propene + Bromine = Propane, 1,2-dibromo-

By formula: C3H6 + Br2 = C3H6Br2

Quantity Value Units Method Reference Comment
ΔrH°-29.27 ± 0.20kcal/molCmConn, Kistiakowsky, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.41 ± 0.20 kcal/mol; At 355 °K; ALS

Hydrogen bromide + Benzene, (bromomethyl)- = Toluene + Bromine

By formula: HBr + C7H7Br = C7H8 + Br2

Quantity Value Units Method Reference Comment
ΔrH°8.1 ± 1.0kcal/molEqkBenson and Buss, 1957gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 8.0 ± 0.9 kcal/mol; ALS

Carbonic dibromide = Carbon monoxide + Bromine

By formula: CBr2O = CO + Br2

Quantity Value Units Method Reference Comment
ΔrH°8.10 ± 0.10kcal/molEqkDunning and Pritchard, 1972gas phase; ALS
ΔrH°1.0 ± 0.1kcal/molEqkSchumacher and Bergmann, 1931gas phase; ALS

Trimethylindium (l) + 3Bromine (l) = Br3In (cr) + 3Methane, bromo- (g)

By formula: C3H9In (l) + 3Br2 (l) = Br3In (cr) + 3CH3Br (g)

Quantity Value Units Method Reference Comment
ΔrH°-159.0 ± 1.0kcal/molRSCClarke and Price, 1968Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

Mercury, dimethyl- (l) + 2Bromine (l) = 2Methane, bromo- (g) + Mercury(II) bromide (cr)

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

Quantity Value Units Method Reference Comment
ΔrH°-72.20 ± 0.60kcal/molRSCHartley, Pritchard, et al., 1950Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

Stannane, trimethyl(phenylmethyl)- (l) + Bromine (g) = Benzene, (bromomethyl)- (l) + C3H9BrSn (l)

By formula: C10H16Sn (l) + Br2 (g) = C7H7Br (l) + C3H9BrSn (l)

Quantity Value Units Method Reference Comment
ΔrH°-54.2 ± 0.2kcal/molRSCPedley and Skinner, 1959Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

Stannane, tetramethyl- (l) + Bromine (g) = C3H9BrSn (l) + Methane, bromo- (g)

By formula: C4H12Sn (l) + Br2 (g) = C3H9BrSn (l) + CH3Br (g)

Quantity Value Units Method Reference Comment
ΔrH°-48.30 ± 0.69kcal/molRSCPedley, Skinner, et al., 1957Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

C8H6MoO3 (cr) + 2Bromine (solution) = C7H5Br3MoO2 (solution) + Hydrogen bromide (solution) + Carbon monoxide (solution)

By formula: C8H6MoO3 (cr) + 2Br2 (solution) = C7H5Br3MoO2 (solution) + HBr (solution) + CO (solution)

Quantity Value Units Method Reference Comment
ΔrH°-60.7 ± 2.0kcal/molRSCNolan, López de la Vega, et al., 1986solvent: Carbon tetrachloride; MS

Propanedioic acid + Bromine = Hydrogen bromide + Propanedioic acid, 2-bromo-

By formula: C3H4O4 + Br2 = HBr + C3H3BrO4

Quantity Value Units Method Reference Comment
ΔrH°-15.8 ± 0.69kcal/molCmKoros, Orban, et al., 1979liquid phase; solvent: Sulfuric acid (1M); Bromination; ALS

Hexamethylditin (l) + Bromine (l) = 2C3H9BrSn (l)

By formula: C6H18Sn2 (l) + Br2 (l) = 2C3H9BrSn (l)

Quantity Value Units Method Reference Comment
ΔrH°-70.24 ± 0.50kcal/molRSCPedley, Skinner, et al., 1957Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

C16H10Mo2O6 (cr) + 3Bromine (solution) = 2C7H5Br3MoO2 (solution) + 2Carbon monoxide (solution)

By formula: C16H10Mo2O6 (cr) + 3Br2 (solution) = 2C7H5Br3MoO2 (solution) + 2CO (solution)

Quantity Value Units Method Reference Comment
ΔrH°-92.0 ± 1.0kcal/molRSCNolan, López de la Vega, et al., 1986solvent: Carbon tetrachloride; MS

Hydrogen bromide + Bromoacetone = Acetone + Bromine

By formula: HBr + C3H5BrO = C3H6O + Br2

Quantity Value Units Method Reference Comment
ΔrH°7.4 ± 2.0kcal/molEqkKing, Golden, et al., 1971gas phase; Heat of bromination at 516-618 K; ALS

Cyclopentadienylmolybdenumtricarbonyl bromide (cr) + Bromine (solution) = C7H5Br3MoO2 (solution) + Carbon monoxide (solution)

By formula: C8H5BrMoO3 (cr) + Br2 (solution) = C7H5Br3MoO2 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
ΔrH°-24.9 ± 2.0kcal/molRSCNolan, López de la Vega, et al., 1986solvent: Carbon tetrachloride; MS

C12H7MnO5 (cr) + 1.5Bromine (g) = Benzene, (bromomethyl)- (g) + manganese dibromide (cr) + 5Carbon monoxide (g)

By formula: C12H7MnO5 (cr) + 1.5Br2 (g) = C7H7Br (g) + Br2Mn (cr) + 5CO (g)

Quantity Value Units Method Reference Comment
ΔrH°-46.5 ± 1.9kcal/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982MS

Bromine + Cyclooctene = 1,2-Dibromocyclooctane

By formula: Br2 + C8H14 = C8H14Br2

Quantity Value Units Method Reference Comment
ΔrH°-29.310kcal/molCmLister, 1941gas phase; Heat of bromination at 300 K; ALS

C6F3MnO5 (cr) + 1.5Bromine (g) = manganese dibromide (cr) + 5Carbon monoxide (g) + Bromotrifluoromethane (g)

By formula: C6F3MnO5 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 5CO (g) + CBrF3 (g)

Quantity Value Units Method Reference Comment
ΔrH°-41.3 ± 0.7kcal/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982MS

C7F3MnO6 (cr) + 1.5Bromine (g) = manganese dibromide (cr) + 6Carbon monoxide (g) + Bromotrifluoromethane (g)

By formula: C7F3MnO6 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 6CO (g) + CBrF3 (g)

Quantity Value Units Method Reference Comment
ΔrH°-38.6 ± 0.5kcal/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982MS

Cyclohexene + Bromine = Cyclohexane, 1,2-dibromo-

By formula: C6H10 + Br2 = C6H10Br2

Quantity Value Units Method Reference Comment
ΔrH°-33.630kcal/molCmLister, 1941gas phase; Heat of bromination at 300 K; ALS

Cycloheptene + Bromine = 1,2-Dibromocycloheptane

By formula: C7H12 + Br2 = C7H12Br2

Quantity Value Units Method Reference Comment
ΔrH°-30.44kcal/molCmLister, 1941gas phase; Heat of bromination at 300 K; ALS

1-Heptene + Bromine = C7H14Br2

By formula: C7H14 + Br2 = C7H14Br2

Quantity Value Units Method Reference Comment
ΔrH°-30.24kcal/molCmLister, 1941gas phase; Heat of bromination at 300 K; ALS

Cyclopentene + Bromine = Cyclopentane, 1,2-dibromo,trans-

By formula: C5H8 + Br2 = C5H8Br2

Quantity Value Units Method Reference Comment
ΔrH°-28.61 ± 0.60kcal/molCmLister, 1941gas phase; Halogenation at 27 C; ALS

Manganese, pentacarbonylmethyl- (cr) + 1.5Bromine (g) = manganese dibromide (cr) + 5Carbon monoxide (g) + Methane, bromo- (g)

By formula: C6H3MnO5 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 5CO (g) + CH3Br (g)

Quantity Value Units Method Reference Comment
ΔrH°-50.0 ± 0.7kcal/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982MS

Manganese, acetylpentacarbonyl-, (OC-6-21)- (cr) + 1.5Bromine (g) = manganese dibromide (cr) + 6Carbon monoxide (g) + Methane, bromo- (g)

By formula: C7H3MnO6 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 6CO (g) + CH3Br (g)

Quantity Value Units Method Reference Comment
ΔrH°-38. ± 1.kcal/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982MS

Benzene, (bromomethyl)- + 0.5Hydrogen = Toluene + 0.5Bromine

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

Quantity Value Units Method Reference Comment
ΔrH°-0.9 ± 0.5kcal/molChydAshcroft, Carson, et al., 1963liquid phase; ALS

C10H22Mg (cr) + Hydrogen (g) + Bromine (l) = 2Neopentane (l) + Br2Mg (cr)

By formula: C10H22Mg (cr) + H2 (g) + Br2 (l) = 2C5H12 (l) + Br2Mg (cr)

Quantity Value Units Method Reference Comment
ΔrH°-160.0 ± 1.6kcal/molRSCAkkerman, Schat, et al., 1983MS

Ethene, tetrafluoro- + Bromine = 1,2-Dibromotetrafluoroethane

By formula: C2F4 + Br2 = C2Br2F4

Quantity Value Units Method Reference Comment
ΔrH°-38.48kcal/molCmLacher, Casali, et al., 1956gas phase; Heat of bromination; ALS

2Benzene, bromo- + Mercury(II) bromide = Mercury, diphenyl- + 2Bromine

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

Quantity Value Units Method Reference Comment
ΔrH°78.53 ± 0.80kcal/molCmChernick, Skinner, et al., 1956liquid phase; ALS

Dimanganese decacarbonyl (cr) + 2Bromine (g) = 2manganese dibromide (cr) + 10Carbon monoxide (g)

By formula: C10Mn2O10 (cr) + 2Br2 (g) = 2Br2Mn (cr) + 10CO (g)

Quantity Value Units Method Reference Comment
ΔrH°-63.0 ± 2.0kcal/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982MS

Hydrogen + 2Methane, bromo- = 2Methane + Bromine

By formula: H2 + 2CH3Br = 2CH4 + Br2

Quantity Value Units Method Reference Comment
ΔrH°-6.6 ± 0.6kcal/molChydAdams, Carson, et al., 1966liquid phase; ALS

2-Butene, (Z)- + Bromine = Erythro-2,3-dibromobutane

By formula: C4H8 + Br2 = C4H8Br2

Quantity Value Units Method Reference Comment
ΔrH°-30.18 ± 0.20kcal/molCmConn, Kistiakowsky, et al., 1938gas phase; At 355 °K; ALS

2-Butene, 2-methyl- + Bromine = 2,3-dibromo-2-methylbutane

By formula: C5H10 + Br2 = C5H10Br2

Quantity Value Units Method Reference Comment
ΔrH°-30.40 ± 0.20kcal/molCmConn, Kistiakowsky, et al., 1938gas phase; At 355 °K; ALS

2-Butenedioic acid, 2-methyl-, (Z)- + Bromine = 2-Butenedioic acid, 2-methyl-, (E)- + Bromine

By formula: C5H6O4 + Br2 = C5H6O4 + Br2

Quantity Value Units Method Reference Comment
ΔrH°-1.2 ± 0.2kcal/molEqkJwo, Huang, et al., 1987solid phase; HPLC; ALS

Bromine + Ethene, chlorotrifluoro- = 1,2-Dibromo-1-chloro-1,2,2-trifluoroethane

By formula: Br2 + C2ClF3 = C2Br2ClF3

Quantity Value Units Method Reference Comment
ΔrH°-31.61kcal/molCmLacher, Casali, et al., 1956gas phase; Heat of bromination; ALS

Br3- + Bromine = (Br3- • Bromine)

By formula: Br3- + Br2 = (Br3- • Br2)

Quantity Value Units Method Reference Comment
ΔrH°9.1 ± 1.7kcal/molCIDTNizzi, Pommerening, et al., 1998gas phase; B

Manganese pentacarbonyl bromide (cr) + 0.5Bromine (g) = manganese dibromide (cr) + 5Carbon monoxide (g)

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

Quantity Value Units Method Reference Comment
ΔrH°2.4 ± 0.43kcal/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982MS

Hydrogen + 2Ethyl bromide = 2Ethane + Bromine

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

Quantity Value Units Method Reference Comment
ΔrH°5.6 ± 3.0kcal/molChydAshcroft, Carson, et al., 1965liquid phase; ALS

Trichloromethane + Bromine = Hydrogen bromide + Methane, bromotrichloro-

By formula: CHCl3 + Br2 = HBr + CBrCl3

Quantity Value Units Method Reference Comment
ΔrH°-1.4 ± 0.1kcal/molEqkMendenhall, Golden, et al., 1973gas phase; ALS

Difluoromethane + Bromine = Hydrogen bromide + Methane, bromodifluoro-

By formula: CH2F2 + Br2 = HBr + CHBrF2

Quantity Value Units Method Reference Comment
ΔrH°-9.54 ± 0.07kcal/molEqkOkafo and Whittle, 1974gas phase; ALS

Carbon Tetrachloride + Bromine = bromine chloride + Methane, bromotrichloro-

By formula: CCl4 + Br2 = BrCl + CBrCl3

Quantity Value Units Method Reference Comment
ΔrH°8.8 ± 0.3kcal/molEqkMendenhall, Golden, et al., 1973gas phase; ALS

Fluoroform + Bromine = Hydrogen bromide + Bromotrifluoromethane

By formula: CHF3 + Br2 = HBr + CBrF3

Quantity Value Units Method Reference Comment
ΔrH°-3.3kcal/molEqkCorbett, Tarr, et al., 1963gas phase; At 298 K; ALS

Methane, tribromo- + Bromine = Hydrogen bromide + Carbon tetrabromide

By formula: CHBr3 + Br2 = HBr + CBr4

Quantity Value Units Method Reference Comment
ΔrH°-1.7 ± 0.7kcal/molEqkKing, Golden, et al., 1971, 2gas phase; ALS

Hydrogen bromide + Bromotrifluoromethane = Fluoroform + Bromine

By formula: HBr + CBrF3 = CHF3 + Br2

Quantity Value Units Method Reference Comment
ΔrH°4.59 ± 0.25kcal/molEqkCoomber and Whittle, 1967gas phase; ALS

Methane + Bromine = Hydrogen bromide + Methane, bromo-

By formula: CH4 + Br2 = HBr + CH3Br

Quantity Value Units Method Reference Comment
ΔrH°-6.3 ± 0.2kcal/molEqkFerguson, Okafo, et al., 1973gas phase; ALS

Propane, 1,2-dibromo-2-methyl- = 1-Propene, 2-methyl- + Bromine

By formula: C4H8Br2 = C4H8 + Br2

Quantity Value Units Method Reference Comment
ΔrH°33.40 ± 0.11kcal/molCmSunner and Wulff, 1974liquid phase; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 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 ± 0.003eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
2.42002ECDAyala, Wentworth, et al., 1981Vertical Detachment Energy: 1.60 eV; B
2.60 ± 0.20NBIEDispert and Lacmann, 1977B
2.62 ± 0.20EndoHughes, Lifschitz, et al., 1973B
2.55 ± 0.10NBIEBaeda, 1972B
2.51 ± 0.10EndoChupka, Berkowitz, et al., 1971B
2.87 ± 0.14EIAEDeCorpo and Franklin, 1971From CBr4; B
1.470 ± 0.050NBIEHubers, Kleyn, et al., 1976Stated electron affinity is the Vertical Detachment Energy; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.518 ± 0.003TEYencha, Hopkirk, et al., 1995LL
10.516 ± 0.005TERuscic and Berkowitz, 1994LL
10.51 ± 0.02PIMonks, Stief, et al., 1994LL
10.5 ± 0.3EILau and Hildenbrand, 1987LBLHLM
10.515 ± 0.005PEVan Lonkhuyzen and De Lange, 1984LBLHLM
10.55PEKimura, Katsumata, et al., 1981LLK
10.52EVALHuber and Herzberg, 1979LLK
10.8 ± 0.2EIKaposi, Popovic, et al., 1977LLK
10.51 ± 0.01PEPotts and Price, 1971LLK
10.7 ± 0.1EIDeCorpo and Franklin, 1971LLK
10.51PECornford, Frost, et al., 1971LLK
10.52 ± 0.01PIDibeler, Walker, et al., 1970RDSH
10.56 ± 0.01SVenkateswarlu, 1968RDSH
10.51PEDyke, Josland, et al., 1984Vertical value; LBLHLM
10.57PEUtsunomiya, Kobayashi, et al., 1976Vertical value; LLK
10.92PEUtsunomiya, Kobayashi, et al., 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Br+10.48 ± 0.02Br-PIMorrison, Hurzeler, et al., 1960RDSH
Br+10.38 ± 0.05Br-EIFrost and McDowell, 1960RDSH
Br+10.31Br-PIWatanabe, 1957RDSH

Anion protonation reactions

Bromine anion + Hydrogen cation = Hydrogen bromide

By formula: Br- + H+ = HBr

Quantity Value Units Method Reference Comment
ΔrH°323.540 ± 0.050kcal/molD-EABlondel, Cacciani, et al., 1989gas phase; reported: 27129.170±0.015 cm-1; B
ΔrH°323.4 ± 2.1kcal/molG+TSTaft and Bordwell, 1988gas phase; B
ΔrH°320.60kcal/molN/ACheck, Faust, et al., 2001gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4; B
Quantity Value Units Method Reference Comment
ΔrG°318.30 ± 0.15kcal/molH-TSBlondel, Cacciani, et al., 1989gas phase; reported: 27129.170±0.015 cm-1; B
ΔrG°318.2 ± 2.0kcal/molIMRETaft and Bordwell, 1988gas phase; B
ΔrG°315.40kcal/molN/ACheck, Faust, et al., 2001gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4; B

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, 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

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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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References

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), 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]

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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]

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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]

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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]

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Benson and Buss, 1957
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Hartley, Pritchard, et al., 1950
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Ashcroft, Carson, et al., 1963
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Lacher, Casali, et al., 1956
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Chernick, Skinner, et al., 1956
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Adams, Carson, et al., 1966
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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]

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Mendenhall, Golden, et al., 1973
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Corbett, Tarr, et al., 1963
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King, Golden, et al., 1971, 2
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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
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Hughes, Lifschitz, et al., 1973
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Chupka, Berkowitz, et al., 1971
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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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References