beryllium fluoride
- Formula: BeF2
- Molecular weight: 47.008988
- CAS Registry Number: 7787-49-7
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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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -190.25 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1970 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 54.388 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1970 |
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 | 14.70150 |
B | 0.112325 |
C | -0.022603 |
D | 0.001558 |
E | -0.771553 |
F | -196.6370 |
G | 69.29670 |
H | -190.2500 |
Reference | Chase, 1998 |
Comment | Data last reviewed in June, 1970 |
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 | -244.276 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1970 |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid,1 bar | 14.31 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1970 |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°solid | -245.399 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1970 |
Quantity | Value | Units | Method | Reference | Comment |
S°solid | 12.78 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1970 |
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) | 825. to 2000. |
---|---|
A | 12.09720 |
B | 10.18580 |
C | -1.948160 |
D | 0.413800 |
E | -0.271480 |
F | -249.2321 |
G | 24.46960 |
H | -244.2761 |
Reference | Chase, 1998 |
Comment | Data last reviewed in June, 1970 |
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 500. | 500. to 825. |
---|---|---|
A | 27.30719 | 11.32580 |
B | -61.37349 | 7.984891 |
C | 93.20349 | 0.014475 |
D | 0.000000 | -0.004781 |
E | -0.436366 | -0.000336 |
F | -253.0880 | -248.9720 |
G | 57.52620 | 24.37001 |
H | -245.4001 | -245.4001 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1970 | Data last reviewed in June, 1970 |
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:
AC - William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
53.25 | 923. | TE,ME,GS | Greenbaum, Foster, et al., 1963 | Based on data from 823. to 1223. K.; AC |
46.99 | 911. | N/A | Novoselova, Semenenko, et al., 1958 | Based on data from 821. to 1002. K.; AC |
50.10 | 911. | N/A | Sense and Stone, 1958 | Based on data from 802. to 1021. K.; AC |
50.88 | 856. | GS | Sense, Snyder, et al., 1954 | Based on data from 745. to 968. K.; AC |
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 |
---|---|---|---|---|---|
1145.6 to 1372. | 6.13628 | 7577.291 | -211.665 | Cantor, 1965 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
56.50 ± 0.69 | 750. | TE | Blauer, Greenbaum, et al., 1965 | Based on data from 713. to 795. K.; AC |
55.40 ± 0.41 | 755. | MS | Blauer, Greenbaum, et al., 1965 | AC |
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 by: John E. Bartmess
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: F- + BeF2 = (F- • BeF2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 97.3 ± 2.3 | kcal/mol | TDEq | Nikitin, Sorokin, et al., 1980 | gas phase; Fluoride Affinity: 19.9±1.7 kcal < AlF3; value altered from reference due to conversion from electron convention to ion convention |
By formula: AlF4- + BeF2 = (AlF4- • BeF2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.5 ± 2.5 | kcal/mol | TDAs | Nikitin, Sorokin, et al., 1980 | gas phase; value altered from reference due to conversion from electron convention to ion convention |
Be2F5- + BeF2 = (Be2F5- • BeF2)
By formula: Be2F5- + BeF2 = (Be2F5- • BeF2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.8 ± 2.5 | kcal/mol | N/A | Nikitin, Sorokin, et al., 1980 | gas phase; value altered from reference due to conversion from electron convention to ion convention |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
14.5 ± 1.0 | EI | Farber and Srivastava, 1974 | LLK |
14.7 ± 0.4 | EI | Hildenbrand and Murad, 1966 | RDSH |
14.5 ± 0.4 | EI | Hildenbrand and Theard, 1965 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
Be+ | 28.3 ± 1.0 | ? | EI | Hildenbrand and Theard, 1965 | RDSH |
BeF+ | 15.5 | F | EI | Hildenbrand and Murad, 1966 | RDSH |
BeF+ | 15.4 ± 0.4 | F | EI | Hildenbrand and Theard, 1965 | RDSH |
Vibrational and/or electronic energy levels
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: Marilyn E. Jacox
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σg+ | 1 | Sym. stretch | 769.09 | gas | IR | Yu, Shayesteh, et al., 2005 | |
Πu | 2 | Bend | 342.61 | gas | IR | Yu, Shayesteh, et al., 2005 | |
2 | Bend | 330 | s | Ne | IR | Snelson, 1966 | |
2 | Bend | 309 | s | Ar | IR | Snelson, 1966 | |
2 | Bend | 302 | s | Kr | IR | Snelson, 1966 | |
Σu+ | 3 | Asym. stretch | 1555.05 | gas | IR | Frum, Engleman, et al., 1991 Yu, Shayesteh, et al., 2005 | |
3 | Asym. stretch | 1542 | vs | Ne | IR | Snelson, 1966 | |
3 | Asym. stretch | 1528 | vs | Ar | IR | Snelson, 1966 | |
3 | Asym. stretch | 1524 | vs | Kr | IR | Snelson, 1966 | |
Additional references: Jacox, 1994, page 83; Buchler, Stauffer, et al., 1964
Notes
s | Strong |
vs | Very strong |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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]
Greenbaum, Foster, et al., 1963
Greenbaum, Michael A.; Foster, James N.; Arin, M. Louis; Farber, Milton,
THE THERMODYNAMIC AND PHYSICAL PROPERTIES OF BERYLLIUM COMPOUNDS. I. ENTHALPY AND ENTROPY OF VAPORIZATION OF BERYLLIUM FLUORIDE 1,2,
J. Phys. Chem., 1963, 67, 1, 36-40, https://doi.org/10.1021/j100795a009
. [all data]
Novoselova, Semenenko, et al., 1958
Novoselova, A.V.; Semenenko, K.N.; Turova, O.Ya.,
Vestn. Mosk. Univ., Ser. Mat., Mekh., Astron., Fiz., Khim., 1958, 13, 139. [all data]
Sense and Stone, 1958
Sense, Karl A.; Stone, Richard W.,
Vapor Pressures and Molecular Composition of Vapors of the Sodium Fluoride-Beryllium Fluoride System,
J. Phys. Chem., 1958, 62, 4, 453-457, https://doi.org/10.1021/j150562a020
. [all data]
Sense, Snyder, et al., 1954
Sense, K.A.; Snyder, M.J.; Clegg, J.W.,
The Vapor Pressure of Beryllium Fluoride,
J. Phys. Chem., 1954, 58, 3, 223-224, https://doi.org/10.1021/j150513a008
. [all data]
Cantor, 1965
Cantor, S.,
Vapor Pressures of BeF2 and NiF2,
J. Chem. Eng. Data, 1965, 10, 3, 237-238, https://doi.org/10.1021/je60026a008
. [all data]
Blauer, Greenbaum, et al., 1965
Blauer, Jay A.; Greenbaum, Michael A.; Farber, Milton,
The Thermodynamic and Physical Properties of Beryllium Compounds. VII. Enthalpy and Entropy of Sublimation of Beryllium Fluoride,
J. Phys. Chem., 1965, 69, 3, 1069-1070, https://doi.org/10.1021/j100887a508
. [all data]
Nikitin, Sorokin, et al., 1980
Nikitin, M.I.; Sorokin, I.D.; Skokan, E.V.; Sidorov, L.N.,
Negative Ions in the Saturated Vapors of the Potassium Fluoride - Hafnium Tetrafluoride and Potassium Fluoride - Beryllium Difluoride Systems,
Russ. J. Phys. Chem., 1980, 54, page]. [all data]
Farber and Srivastava, 1974
Farber, M.; Srivastava, R.D.,
Dissociation energies of BeF and BeCl and the heat of formation of BeClF,
J. Chem. Soc. Faraday Trans. 1, 1974, 70, 1581. [all data]
Hildenbrand and Murad, 1966
Hildenbrand, D.L.; Murad, E.,
Mass-spectrometric determination of the dissociation energy of beryllium monofluoride,
J. Chem. Phys., 1966, 44, 1524. [all data]
Hildenbrand and Theard, 1965
Hildenbrand, D.L.; Theard, L.P.,
Effusion studies, mass spectra, and thermodynamics of beryllium fluoride vapor,
J. Chem. Phys., 1965, 42, 3230. [all data]
Yu, Shayesteh, et al., 2005
Yu, S.; Shayesteh, A.; Bernath, P.F.; Koput, J.,
The vibration-rotation emission spectrum of hot BeF[sub 2],
J. Chem. Phys., 2005, 123, 13, 134303, https://doi.org/10.1063/1.2039085
. [all data]
Snelson, 1966
Snelson, A.,
Infrared Spectra of Some Alkaline Earth Halides by the Matrix Isolation Technique,
J. Phys. Chem., 1966, 70, 10, 3208, https://doi.org/10.1021/j100882a031
. [all data]
Frum, Engleman, et al., 1991
Frum, C.I.; Engleman, R., Jr.; Bernath, P.F.,
Fourier transform emission spectroscopy of BeF2 at 6.5 μm,
J. Chem. Phys., 1991, 95, 3, 1435, https://doi.org/10.1063/1.461056
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Buchler, Stauffer, et al., 1964
Buchler, A.; Stauffer, J.L.; Klemperer, W.,
None,
J. Am. Chem. Soc., 1964, 86, 21, 4544, https://doi.org/10.1021/ja01075a007
. [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, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy 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 ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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