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
  The 3d structure may be viewed using Java or Javascript.
• Other names: Br2; Brom; Brome; Bromo; Broom; UN 1744; Dibromine
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • 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)
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data: reactions 51 to 55
  • Constants of diatomic molecules
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
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Gas phase thermochemistry data

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

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = 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.

Condensed phase thermochemistry data

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

Phase change data

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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

Enthalpy of vaporization

Antoine Equation Parameters

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

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Reaction thermochemistry data

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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)

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

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

 +  = ( • )

By formula: Br^- + Br₂ = (Br^- • Br₂)

 +  =

By formula: C₄H₈ + Br₂ = C₄H₈Br₂

 +  =

By formula: C₄H₈ + Br₂ = C₄H₈Br₂

 +  =

By formula: C₂H₄ + Br₂ = C₂H₄Br₂

 +  =

By formula: C₃H₆ + Br₂ = C₃H₆Br₂

 +  =  + 

By formula: HBr + C₇H₇Br = C₇H₈ + Br₂

=  + 

By formula: CBr₂O = CO + Br₂

 (l) + 3 (l) = Br₃In (cr) + 3 (g)

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

 (l) + 2 (l) = 2 (g) +  (cr)

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

 (l) +  (g) =  (l) + C₃H₉BrSn (l)

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

 (l) +  (g) = C₃H₉BrSn (l) +  (g)

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

C₈H₆MoO₃ (cr) + 2 (solution) = C₇H₅Br₃MoO₂ (solution) +  (solution) +  (solution)

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

 +  =  + 

By formula: C₃H₄O₄ + Br₂ = HBr + C₃H₃BrO₄

 (l) +  (l) = 2C₃H₉BrSn (l)

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

C₁₆H₁₀Mo₂O₆ (cr) + 3 (solution) = 2C₇H₅Br₃MoO₂ (solution) + 2 (solution)

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

 +  =  + 

By formula: HBr + C₃H₅BrO = C₃H₆O + Br₂

 (cr) +  (solution) = C₇H₅Br₃MoO₂ (solution) +  (solution)

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

C₁₂H₇MnO₅ (cr) + 1.5 (g) =  (g) +  (cr) + 5 (g)

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

 +  =

By formula: Br₂ + C₈H₁₄ = C₈H₁₄Br₂

C₆F₃MnO₅ (cr) + 1.5 (g) =  (cr) + 5 (g) +  (g)

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

C₇F₃MnO₆ (cr) + 1.5 (g) =  (cr) + 6 (g) +  (g)

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

 +  =

By formula: C₆H₁₀ + Br₂ = C₆H₁₀Br₂

 +  =

By formula: C₇H₁₂ + Br₂ = C₇H₁₂Br₂

 +  = C₇H₁₄Br₂

By formula: C₇H₁₄ + Br₂ = C₇H₁₄Br₂

 +  =

By formula: C₅H₈ + Br₂ = C₅H₈Br₂

 (cr) + 1.5 (g) =  (cr) + 5 (g) +  (g)

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

 (cr) + 1.5 (g) =  (cr) + 6 (g) +  (g)

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

 + 0.5 =  + 0.5

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

C₁₀H₂₂Mg (cr) +  (g) +  (l) = 2 (l) + Br₂Mg (cr)

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

 +  =

By formula: C₂F₄ + Br₂ = C₂Br₂F₄

2 +  =  + 2

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

 (cr) + 2 (g) = 2 (cr) + 10 (g)

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

 + 2 = 2 + 

By formula: H₂ + 2CH₃Br = 2CH₄ + Br₂

 +  =

By formula: C₄H₈ + Br₂ = C₄H₈Br₂

 +  =

By formula: C₅H₁₀ + Br₂ = C₅H₁₀Br₂

 +  =  + 

By formula: C₅H₆O₄ + Br₂ = C₅H₆O₄ + Br₂

 +  =

By formula: Br₂ + C₂ClF₃ = C₂Br₂ClF₃

Br₃^- +  = (Br₃^- • )

By formula: Br₃^- + Br₂ = (Br₃^- • Br₂)

 (cr) + 0.5 (g) =  (cr) + 5 (g)

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

 + 2 = 2 + 

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

 +  =  + 

By formula: CHCl₃ + Br₂ = HBr + CBrCl₃

 +  =  + 

By formula: CH₂F₂ + Br₂ = HBr + CHBrF₂

 +  =  + 

By formula: CCl₄ + Br₂ = BrCl + CBrCl₃

 +  =  + 

By formula: CHF₃ + Br₂ = HBr + CBrF₃

 +  =  + 

By formula: CHBr₃ + Br₂ = HBr + CBr₄

 +  =  + 

By formula: HBr + CBrF₃ = CHF₃ + Br₂

 +  =  + 

By formula: CH₄ + Br₂ = HBr + CH₃Br

=  + 

By formula: C₄H₈Br₂ = C₄H₈ + Br₂

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)

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

Anion protonation reactions

 +  =

By formula: Br^- + H⁺ = HBr

Ion clustering data

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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)

Br₃^- +  = (Br₃^- • )

By formula: Br₃^- + Br₂ = (Br₃^- • Br₂)

Mass spectrum (electron ionization)

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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

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]

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

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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]

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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]

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

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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]

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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]

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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]

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King, Golden, et al., 1971
King, K.D.; Golden, D.M.; Benson, S.W., Thermochemistry of the gas-phase equilibrium CH₃COCH₃ + Br₂ = CH₃COCH₂Br + HBr. The enthalpy of formation of bromoacetone, 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
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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]

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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]

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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]

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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, 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]

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King, Golden, et al., 1971, 2
King, K.D.; Golden, D.M.; Benson, S.W., Kinetics and thermochemistry of the gas-phase bromination of bromoform. The C-H bond dissociation energy in CHBr₃ and the C-Br bond dissociation energy in CBr₄, J. Phys. Chem., 1971, 75, 987-989. [all data]

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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]

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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 ΔH_f°(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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Ayala, J.A.; Wentworth, W.E.; Chen, E.C.M., Electron attachment to halogens, J. Phys. Chem., 1981, 85, 768. [all data]

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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

• 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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