potassium bromide
- Formula: BrK
- Molecular weight: 119.002
- IUPAC Standard InChI: InChI=1S/BrH.K/h1H;/q;+1/p-1
- IUPAC Standard InChIKey: IOLCXVTUBQKXJR-UHFFFAOYSA-M
- CAS Registry Number: 7758-02-3
- 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, Constants of diatomic molecules, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -43.040 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1967 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 59.878 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1967 |
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) | 2500. to 6000. |
|---|---|
| A | 8.938390 |
| B | 0.191971 |
| C | -0.000941 |
| D | 0.000081 |
| E | -0.015260 |
| F | -45.76470 |
| G | 70.55239 |
| H | -43.04001 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in March, 1967 |
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 | -89.983 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1967 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 25.225 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1967 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -94.120 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1967 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 22.93 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1967 |
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) | 1007. to 2500. |
|---|---|
| A | 16.70010 |
| B | -2.034290×10-10 |
| C | 1.398711×10-10 |
| D | -2.978600×10-11 |
| E | -4.052240×10-12 |
| F | -94.96300 |
| G | 45.43430 |
| H | -89.98380 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in March, 1967 |
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 900. | 900. to 1007. |
|---|---|---|
| A | 9.374401 | -278.7170 |
| B | 15.14450 | 494.7290 |
| C | -22.64050 | -301.6121 |
| D | 14.44770 | 64.82801 |
| E | 0.021800 | 37.03671 |
| F | -97.34541 | 68.35999 |
| G | 30.75641 | -307.6341 |
| H | -94.12010 | -94.12010 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in March, 1967 | Data last reviewed in March, 1967 |
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 |
|---|---|---|---|---|---|
| 1068. to 1656. | 4.56575 | 6940.81 | -136.349 | 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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
+
= (
•
)
By formula: K+ + BrK = (K+ • BrK)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 41.5 | kcal/mol | MS | Kudin, Gusarov, et al., 1973 | gas phase; Knudsen cell; M |
| ΔrH° | 40.8 | kcal/mol | MS | Chupka, 1959 | gas phase; Knudsen cell; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.8 | cal/mol*K | MS | Chupka, 1959 | gas phase; Knudsen cell; M |
3 +
= 3
+ KBrO3
By formula: 3C5H5NO + BrK = 3C5H5N + KBrO3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 75.0 ± 2.3 | kcal/mol | Cm | Shaofeng and Pilcher, 1988 | solid phase; ALS |
Constants of diatomic molecules
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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: Klaus P. Huber and Gerhard H. Herzberg
Data collected through January, 1977
| Symbol | Meaning |
|---|---|
| State | electronic state and / or symmetry symbol |
| Te | minimum electronic energy (cm-1) |
| ωe | vibrational constant – first term (cm-1) |
| ωexe | vibrational constant – second term (cm-1) |
| ωeye | vibrational constant – third term (cm-1) |
| Be | rotational constant in equilibrium position (cm-1) |
| αe | rotational constant – first term (cm-1) |
| γe | rotation-vibration interaction constant (cm-1) |
| De | centrifugal distortion constant (cm-1) |
| βe | rotational constant – first term, centrifugal force (cm-1) |
| re | internuclear distance (Å) |
| Trans. | observed transition(s) corresponding to electronic state |
| ν00 | position of 0-0 band (units noted in table) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Twopeaks in the elctron energy loss spectrum at 19.7 and 23.7 eV Geiger and Pfeiffer, 1968 may be associated with an excitation of an electron from the metal 3p shell of K+ Br-. | ||||||||||||
| Continuous absorption above 31000 cm-1, maxima at 36000, 39300, 47600 cm-1. 1 | ||||||||||||
| ↳Muller, 1927; Levi, 1934 | ||||||||||||
| A 2 | A ↔ X | |||||||||||
| ↳Beutler and Josephy, 1929; Sommermeyer, 1929; Levi, 1934; Barrow and Caunt, 1953; Oldenborg, Gole, et al., 1974; Kaufmann, Kinsey, et al., 1974 | ||||||||||||
| X 1Σ+ | 0 | 213 3 | (0.80) | 0.08122109 | 0.00040481 | 7.7E-7 | 4.4619E-8 | -2E-12 | 2.82078 4 | |||
| ↳Rice and Klemperer, 1957 | ||||||||||||
| Rotation sp. | ||||||||||||
| ↳Fabricand, Carlson, et al., 1953; Rusk and Gordy, 1962 | ||||||||||||
| Mol. beam rf el. reson. 5 | ||||||||||||
| ↳Van Wachem, De Leeuw, et al., 1967; de Leeuw, van Wachem, et al., 1969 | ||||||||||||
Notes
| 1 | Absorption cross sections Davidovits and Brodhead, 1967. The electron energy loss spectrum Geiger and Pfeiffer, 1968 has peaks at 37000, 52000, 63000 cm-1. |
| 2 | Diffuse absorption bands, 25000 - 31000 cm-1. 8 The chemiluminescence spectrum (gas - beam, or flame) consists of a long ground-state vibrational progression stretching from 17500 to 31500 cm-1, the onsets and cutoffs depending on the prevailing conditions of the experiment. 8 |
| 3 | From the IR spectrum. The Dunham theory applied to the microwave results gives ωe = 219.17 Rusk and Gordy, 1962, ωexe = 0.758 Rusk and Gordy, 1962. |
| 4 | Rotation-vibration sp. |
| 5 | μel[D] = 10.60256 + 0.05045(v+1/2) + 0.00015(v+1/2)2 Van Wachem, De Leeuw, et al., 1967, de Leeuw, van Wachem, et al., 1969; nuclear quadrupole and spin-rotation constants in de Leeuw, van Wachem, et al., 1969, see also Fabricand, Carlson, et al., 1953. |
| 6 | Thermochemical value Brewer and Brackett, 1961, Bulewicz, Phillips, et al., 1961; from the analysis of the fluctuation bands in the UV absorption spectrum Levi, 1934 and Barrow and Caunt, 1953, estimate 3.96 and 4.10 eV, respectively. |
| 7 | Adiabatic potential from the photoelectron spectrum Potts, Williams, et al., 1974, not corrected for thermal population of the ground state-vibrational levels; vertical potential 8.34 eV. |
| 8 | See note d of CsBr. From the emission data Kaufmann, Kinsey, et al., 1974, have constructed a tentative upper-state potential energy curve which is, however, dependent on the model potential used for the ground state. |
| 9 | From D00(KBr) + I.P.(K) - I.P.(KBr); Potts, Williams, et al., 1974 give 0.33 eV. |
| 10 | From the maxima of the photoelectron spectrum Potts, Williams, et al., 1974, missing citation. |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Constants of diatomic molecules, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Kudin, Gusarov, et al., 1973
Kudin, L.S.; Gusarov, A.V.; Gorokhov, L.N.,
Mass Spectrometer Study of Equilibria Involving Ions. 1. Potassium Bromide and Sulfate,
High Temp., 1973, 11, 50. [all data]
Chupka, 1959
Chupka, W.A.,
Dissociation Energies of Some Gaseous Halide Complex Ions and the Hydrated Ion K(H2O)+,
J. Chem. Phys., 1959, 40, 2, 458, https://doi.org/10.1063/1.1729974
. [all data]
Shaofeng and Pilcher, 1988
Shaofeng, L.; Pilcher, G.,
Enthalpy of formation of pyridine-N-oxide: the dissociation enthalpy of the (N-O) bond,
J. Chem. Thermodyn., 1988, 20, 463-465. [all data]
Geiger and Pfeiffer, 1968
Geiger, J.; Pfeiffer, H.-C.,
Untersuchung der Anregung innerer Elektronen von Alkalihalogenidmolekulen im Energieverlustspektrum von 25 keV-Elektronen,
Z. Phys., 1968, 208, 105. [all data]
Muller, 1927
Muller, L.A.,
4. absorptionsspektren der alkalihalogenide in wasseriger losung und im dampf,
Ann. Phys. (Leipzig), 1927, 82, 39. [all data]
Levi, 1934
Levi,
Dissertation, Berlin, 1934, 0. [all data]
Beutler and Josephy, 1929
Beutler, H.; Josephy, B.,
Resonanz bei Stoben in der fluoreszenz und chemilumineszenz,
Z. Phys., 1929, 53, 747. [all data]
Sommermeyer, 1929
Sommermeyer, K.,
Ein neues spektrum der gasformigen alkalihalogenide und seine deutung,
Z. Phys., 1929, 56, 548. [all data]
Barrow and Caunt, 1953
Barrow, R.F.; Caunt, A.D.,
The ultra-violet absorption spectra of some gaseous alkali-metal halides and the dissociation energy of fluorine,
Proc. R. Soc. London A, 1953, 219, 120. [all data]
Oldenborg, Gole, et al., 1974
Oldenborg, R.C.; Gole, J.L.; Zare, R.N.,
Chemiluminescent spectra of alkali-halogen reactions,
J. Chem. Phys., 1974, 60, 4032. [all data]
Kaufmann, Kinsey, et al., 1974
Kaufmann, K.J.; Kinsey, J.L.; Palmer, H.B.; Tewarson, A.,
Chemiluminescent emission spectra and possible upper-state potentials of KCl and KBr,
J. Chem. Phys., 1974, 61, 1865. [all data]
Rice and Klemperer, 1957
Rice, S.A.; Klemperer, W.,
Spectra of the alkali halides. II. The infrared spectra of the sodium and potassium halides, RbCl, and CsCl,
J. Chem. Phys., 1957, 27, 573. [all data]
Fabricand, Carlson, et al., 1953
Fabricand, B.P.; Carlson, R.O.; Lee, C.A.; Rabi, I.I.,
Molecular beam investigation of rotational transitions. II. The rotational levels of KBr and their hyperfine structure,
Phys. Rev., 1953, 91, 1403. [all data]
Rusk and Gordy, 1962
Rusk, J.R.; Gordy, W.,
Millimeter wave molecular beam spectroscopy: alkali bromides and iodides,
Phys. Rev., 1962, 127, 817. [all data]
Van Wachem, De Leeuw, et al., 1967
Van Wachem, R.; De Leeuw, F.H.; Dymanus, A.,
Dipole moments of KF and KBr measured by the molecular-beam electric-resonance method,
J. Chem. Phys., 1967, 47, 2256. [all data]
de Leeuw, van Wachem, et al., 1969
de Leeuw, F.H.; van Wachem, R.; Dymanus, A.,
Radio-frequency spectrum of KBr by the molecular-beam electric-resonance method,
J. Chem. Phys., 1969, 50, 1393. [all data]
Davidovits and Brodhead, 1967
Davidovits, P.; Brodhead, D.C.,
Ultraviolet absorption cross sections for the alkali halide vapors,
J. Chem. Phys., 1967, 46, 2968. [all data]
Brewer and Brackett, 1961
Brewer, L.; Brackett, E.,
The dissociation energies of gaseous alkali halides,
Chem. Rev., 1961, 61, 425. [all data]
Bulewicz, Phillips, et al., 1961
Bulewicz, E.M.; Phillips, L.F.; Sugden, T.M.,
Determination of dissociation constants and heats of formation of simple molecules by flame photometry. Part 8. Stabilities of the gaseous diatomic halides of certain metals,
Trans. Faraday Soc., 1961, 57, 921. [all data]
Potts, Williams, et al., 1974
Potts, A.W.; Williams, T.A.; Price, W.C.,
Photoelectron spectra and electronic structure of diatomic alkali halides,
Proc. Roy. Soc. London A, 1974, 341, 147. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Constants of diatomic molecules, References
- Symbols used in this document:
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 ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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