chlorine fluoride
- Formula: ClF
- Molecular weight: 54.451
- IUPAC Standard InChIKey: OMRRUNXAWXNVFW-UHFFFAOYSA-N
- CAS Registry Number: 7790-89-8
- 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. - Isotopologues:
- Other names: Chlorine monofluoride
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Gas phase thermochemistry data
Go To: Top, Phase change 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 | -12.02 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1977 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 52.082 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1977 |
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) | 298. to 2300. | 2300. to 6000. |
---|---|---|
A | 7.889491 | 95.75569 |
B | 1.859680 | -54.08031 |
C | -1.049031 | 11.94720 |
D | 0.213897 | -0.821244 |
E | -0.061778 | -81.60669 |
F | -14.65510 | -149.7100 |
G | 60.77311 | 78.36460 |
H | -12.02010 | -12.02010 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1977 | Data last reviewed in June, 1977 |
Phase change data
Go To: Top, Gas phase 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 173.1 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 117.6 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.3 K; TRC |
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 |
---|---|---|---|---|---|
129.8 to 172.7 | 6.02542 | 983.517 | -9.791 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, 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:
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
B - John E. Bartmess
View reactions leading to ClF+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 12.66 ± 0.01 | eV | N/A | N/A | L |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
>1.50 ± 0.20 | EIAE | Illenberger, Baumgartel, et al., 1979 | From CFCl3; B |
>1.50 ± 0.40 | EIAE | Thynne, 1972 | From SF5Cl; B |
2.86 ± 0.20 | EIAE | Dudin, Gorokhov, et al., 1979 | From ClF3; B |
1.50 ± 0.30 | NBIE | Dispert and Lacmann, 1978 | From CF2Cl2; G3MP2B3 calculations indicate an EA of ca. 2.1 eV; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.74 ± 0.01 | PE | DeKock, Higginson, et al., 1972 | LLK |
12.66 ± 0.01 | PE | DeKock, Higginson, et al., 1972 | LLK |
12.74 ± 0.01 | PE | Anderson, Mamantov, et al., 1971 | LLK |
12.66 ± 0.01 | PE | Anderson, Mamantov, et al., 1971 | LLK |
12.65 ± 0.01 | PI | Dibeler, Walker, et al., 1970 | RDSH |
12.7 ± 0.3 | EI | Irsa and Friedman, 1958 | RDSH |
12.77 | PE | Dyke, Josland, et al., 1984 | Vertical value; LBLHLM |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
Cl+ | 12.04 | F- | PI | Dibeler, Walker, et al., 1970 | RDSH |
Cl+ | 15.50 ± 0.04 | F | PI | Dibeler, Walker, et al., 1970 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Phase change 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]
Streng, 1971
Streng, A.G.,
Miscibility and Compatibility of Some Liquid and Solidified Gases at Low Temperature,
J. Chem. Eng. Data, 1971, 16, 357. [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]
Illenberger, Baumgartel, et al., 1979
Illenberger, T.; Baumgartel, H.; Scheunemann, H.,
Negative Ion Formation in CF2Cl2, CF3Cl, and CFCl3 Following Low Energy (0-10eV) Impact with Near Monoenergetic Electrons,
Chem. Phys., 1979, 37, 1, 21, https://doi.org/10.1016/0301-0104(79)80003-8
. [all data]
Thynne, 1972
Thynne, J.C.J.,
Negative Ion Studies with a Time-of-Flight Mass Spectrometer.,
Dyn. Mass Spectrom., 1972, 3, 67. [all data]
Dudin, Gorokhov, et al., 1979
Dudin, A.V.; Gorokhov, L.N.; Baluev, A.V.,
A Study of the Electron Impact Ionization of Chlorine Trifluoride and Its Decomposition Products by Mass Spectrometry, Izv. Akad. Nauk SSR Ser. Khim. 2408, 1979. [all data]
Dispert and Lacmann, 1978
Dispert, H.; Lacmann, K.,
Negative ion formation in collisions between potassium and fluoro- and chloromethanes: Electron affinities and bond dissociation energies,
Int. J. Mass Spectrom. Ion Phys., 1978, 28, 49. [all data]
DeKock, Higginson, et al., 1972
DeKock, R.L.; Higginson, B.R.; Lloyd, D.R.; Breeze, A.; Cruickshank, D.W.J.; Armstrong, D.R.,
Photoelectron spectra of halides. V. Experimental theoretical study of the electronic structures of ClF, ClF3, BrF and BrF3,
Mol. Phys., 1972, 24, 1059. [all data]
Anderson, Mamantov, et al., 1971
Anderson, C.P.; Mamantov, G.; Bull, W.E.; Grimm, F.A.; Carver, J.C.; Carlson, T.A.,
Photoelectron spectrum of chlorine monofluoride,
Chem. Phys. Lett., 1971, 12, 137. [all data]
Dibeler, Walker, et al., 1970
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E.,
Photoionization study of chlorine monofluoride and the dissociation energy of fluorine,
J. Chem. Phys., 1970, 53, 4414. [all data]
Irsa and Friedman, 1958
Irsa, A.P.; Friedman, L.,
Mass spectra of halogen fluorides,
J. Inorg. Nucl. Chem., 1958, 6, 77. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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) Tboil Boiling point Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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