Lithium bromide
- Formula: BrLi
- Molecular weight: 86.845
- IUPAC Standard InChI: InChI=1S/BrH.Li/h1H;/q;+1/p-1
- IUPAC Standard InChIKey: AMXOYNBUYSYVKV-UHFFFAOYSA-M
- CAS Registry Number: 7550-35-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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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, 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 | -36.800 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 53.616 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1966 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 2000. to 6000. |
|---|---|
| A | 8.812771 |
| B | 0.262697 |
| C | -0.029761 |
| D | 0.002536 |
| E | -0.070645 |
| F | -39.67579 |
| G | 63.80559 |
| H | -36.80000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1966 |
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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -80.839 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 20.22 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -83.870 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 17.70 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1966 |
Liquid Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 823. to 2000. |
|---|---|
| A | 15.59990 |
| B | 4.087510×10-10 |
| C | -3.137042×10-10 |
| D | 7.685230×10-11 |
| E | 7.205000×10-12 |
| F | -85.48910 |
| G | 39.09921 |
| H | -80.83800 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1966 |
Solid Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 823. |
|---|---|
| A | 17.06060 |
| B | -19.57220 |
| C | 28.41489 |
| D | -7.738810 |
| E | -0.164690 |
| F | -88.87579 |
| G | 42.05719 |
| H | -83.87010 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1966 |
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.
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 |
|---|---|---|---|---|---|
| 1021. to 1583. | 4.71497 | 6978.079 | -102.451 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
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
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.
Individual Reactions
C4H9Li (l) + (g) =
(l) +
(cr)
By formula: C4H9Li (l) + HBr (g) = C4H10 (l) + BrLi (cr)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -89.39 ± 0.48 | kcal/mol | RSC | Holm, 1974 | Please also see Pedley and Rylance, 1977. The reaction enthalpy was quoted from Pedley and Rylance, 1977. See Liebman, Martinho Simões, et al., 1995 for comments; MS |
(g) +
(cr) =
(g) +
(cr)
By formula: HBr (g) + CH3Li (cr) = CH4 (g) + BrLi (cr)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -75.84 ± 0.48 | kcal/mol | RSC | Holm, 1974 | Please also see Pedley and Rylance, 1977. The reaction enthalpy was quoted from Pedley and Rylance, 1977. See Liebman, Martinho Simões, et al., 1995 for comments; MS |
(g) +
(cr) =
(g) +
(cr)
By formula: HBr (g) + C2H5Li (cr) = C2H6 (g) + BrLi (cr)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -82.62 ± 0.48 | kcal/mol | RSC | Holm, 1974 | Please also see Pedley and Rylance, 1977. The reaction enthalpy was quoted from Pedley and Rylance, 1977. See Liebman, Martinho Simões, et al., 1995 for comments; MS |
(g) + C4H9Li (l) =
(l) +
(cr)
By formula: HBr (g) + C4H9Li (l) = C4H10 (l) + BrLi (cr)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -84.30 ± 0.48 | kcal/mol | RSC | Holm, 1974 | Please also see Pedley and Rylance, 1977. The reaction enthalpy was quoted from Pedley and Rylance, 1977. See Liebman, Martinho Simões, et al., 1995 for comments; MS |
+ C4H9Li =
+
By formula: C7H7Br + C4H9Li = C11H16 + BrLi
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -80.8 ± 2.6 | kcal/mol | Cm | Fowell and Mortimer, 1961 | liquid phase; ALS |
Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 196. | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 189.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
| EA (eV) | Reference | Comment |
|---|---|---|
| 0.660 ± 0.040 | Miller, Leopold, et al., 1986 | Extrapolated by polarizability and radius from experimental data.; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.3 | EI | Bloom and Williams, 1981 | LLK |
| 8.7 | PE | Potts and Lee, 1979 | LLK |
| 9.4 | EI | Berkowitz, Tasman, et al., 1962 | RDSH |
| 9.43 ± 0.05 | PE | Potts and Lee, 1979 | Vertical value; LLK |
| 10.0 | PE | Goodman, Allen, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| Li+ | 9.9 | Br | EI | Berkowitz, Tasman, et al., 1962 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]
Holm, 1974
Holm, T.,
J. Organometal. Chem., 1974, 77, 27. [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]
Liebman, Martinho Simões, et al., 1995
Liebman, J.F.; Martinho Simões, J.A.; Slayden, S.W.,
In Lithium Chemistry: A Theoretical and Experimental Overview Wiley: New York, Sapse, A.-M.; Schleyer, P. von Ragué, ed(s)., 1995. [all data]
Fowell and Mortimer, 1961
Fowell, P.A.; Mortimer, C.T.,
735. Heats of formation and bond energies. Part V. n-Butyl-lithium,
J. Chem. Soc., 1961, 3793-3796. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Miller, Leopold, et al., 1986
Miller, T.M.; Leopold, D.G.; Murray, K.K.; Lineberger, W.C.,
Electron Affinities of the Alkali Halides and the Structure of their Negative Ions,
J. Chem. Phys., 1986, 85, 5, 2368, https://doi.org/10.1063/1.451091
. [all data]
Bloom and Williams, 1981
Bloom, H.; Williams, D.J.,
A mass spectrometric study of the vapors above the molten salt systems LiCl-CuCl, LiBr-CuBr, and NaI-CuI,
J. Chem. Phys., 1981, 75, 4636. [all data]
Potts and Lee, 1979
Potts, A.W.; Lee, E.P.F.,
Photoelectron spectra and electronic structure of lithium halide monomers and dimers,
J. Chem. Soc. Faraday Trans. 2, 1979, 75, 941. [all data]
Berkowitz, Tasman, et al., 1962
Berkowitz, J.; Tasman, H.A.; Chupka, W.A.,
Double-oven experiments with lithium halide vapors,
J. Chem. Phys., 1962, 36, 2170. [all data]
Goodman, Allen, et al., 1974
Goodman, T.D.; Allen, J.D., Jr.; Cusachs, L.C.; Schweitzer, G.K.,
The photoelectron spectra of gaseous alkali halides,
J. Electron Spectrosc. Relat. Phenom., 1974, 3, 289. [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, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) S°solid Entropy of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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