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, 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.

Quantity Value Units Method Reference Comment
Δfgas7.388 ± 0.026kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas7.388kcal/molReviewChase, 1998Data last reviewed in June, 1982
Quantity Value Units Method Reference Comment
gas,1 bar58.668 ± 0.001cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
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, 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.

Quantity Value Units Method Reference Comment
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, 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 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, 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 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
Δr-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
Δr-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
Δr30.4 ± 1.7kcal/molCIDTNizzi, Pommerening, et al., 1998gas phase; B
Δr33.70kcal/molN/ACheck, Faust, et al., 2001gas phase; Fe-; ; ΔS(EA)=5.8; B
Quantity Value Units Method Reference Comment
Δr22.50kcal/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
Δr-28.90kcal/molCmLister, 1941gas phase; Heat of bromination at 300 K; ALS
Δr-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
Δr-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
Δr-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
Δr-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
Δr8.1 ± 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
Δr8.10 ± 0.10kcal/molEqkDunning and Pritchard, 1972gas phase; ALS
Δr1.0 ± 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
Δr-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
Δr-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
Δr-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
Δr-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
Δr-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
Δr-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
Δr-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
Δr-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
Δr7.4 ± 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
Δr-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
Δr-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
Δr-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
Δr-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
Δr-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
Δr-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
Δr-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
Δr-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
Δr-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
Δr-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
Δr-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
Δr-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
Δr-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
Δr-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
Δr78.53 ± 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
Δr-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
Δr-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
Δr-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
Δr-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
Δr-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
Δr-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
Δr9.1 ± 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
Δr2.4 ± 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
Δr5.6 ± 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
Δr-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
Δr-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
Δr8.8 ± 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
Δr-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
Δr-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
Δr4.59 ± 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
Δr-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
Δr33.40 ± 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, 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 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
Δr323.540 ± 0.050kcal/molD-EABlondel, Cacciani, et al., 1989gas phase; reported: 27129.170±0.015 cm-1; B
Δr323.4 ± 2.1kcal/molG+TSTaft and Bordwell, 1988gas phase; B
Δr320.60kcal/molN/ACheck, Faust, et al., 2001gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4; B
Quantity Value Units Method Reference Comment
Δr318.30 ± 0.15kcal/molH-TSBlondel, Cacciani, et al., 1989gas phase; reported: 27129.170±0.015 cm-1; B
Δr318.2 ± 2.0kcal/molIMRETaft and Bordwell, 1988gas phase; B
Δr315.40kcal/molN/ACheck, Faust, et al., 2001gas 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), 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

Bromine anion + Bromine = (Bromine anion • Bromine)

By formula: Br- + Br2 = (Br- • Br2)

Quantity Value Units Method Reference Comment
Δr30.4 ± 1.7kcal/molCIDTNizzi, Pommerening, et al., 1998gas phase
Δr33.70kcal/molN/ACheck, Faust, et al., 2001gas phase; Fe-; ; ΔS(EA)=5.8
Quantity Value Units Method Reference Comment
Δr22.50kcal/molN/ACheck, Faust, et al., 2001gas phase; Fe-; ; ΔS(EA)=5.8

Br3- + Bromine = (Br3- • Bromine)

By formula: Br3- + Br2 = (Br3- • Br2)

Quantity Value Units Method Reference Comment
Δr9.1 ± 1.7kcal/molCIDTNizzi, Pommerening, et al., 1998gas 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, 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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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), 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]

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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]

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 . [all data]

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]

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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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References