chlorine trifluoride
- Formula: ClF3
- Molecular weight: 92.448
- CAS Registry Number: 7790-91-2
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Gas phase thermochemistry data
Go To: Top, 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 | -37.971 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1965 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 67.302 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1965 |
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 1100. | 1100. to 6000. |
|---|---|---|
| A | 14.43680 | 19.84130 |
| B | 13.70120 | 0.017257 |
| C | -13.00740 | -0.003503 |
| D | 4.348770 | 0.000243 |
| E | -0.197875 | -0.566967 |
| F | -43.44111 | -45.62020 |
| G | 80.11501 | 88.56171 |
| H | -37.96991 | -37.96991 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in September, 1965 | Data last reviewed in September, 1965 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry 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:
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 ClF3+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| >2.40 ± 0.10 | EIAE | Baluev, Nikitin, et al., 1980 | From ClF5; G3MP2B3 calculations indicate an EA of ca. 3.3 eV; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 12.65 ± 0.05 | PE | DeKock, Higginson, et al., 1972 | LLK |
| 13.0 ± 0.2 | EI | Irsa and Friedman, 1958 | RDSH |
| 13.05 ± 0.05 | EI | Dudin, Gorokhov, et al., 1979 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| F2<35>Cl+ | 13.78 ± 0.07 | F | EI | Dudin, Gorokhov, et al., 1979 | LLK |
| ClF2+ | 12.8 ± 0.3 | F | EI | Irsa and Friedman, 1958 | RDSH |
References
Go To: Top, Gas phase 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]
Baluev, Nikitin, et al., 1980
Baluev, A.V.; Nikitin, I.M.; Fedorova, L.I.; Rossolovskii, V.Ya.,
Mass Spectrometric Study of Chlorine Pentafluoride Ionization by Electron Impact, Izv. Akad. Nauk SSR Ser. Khim. 487, 1980. [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]
Irsa and Friedman, 1958
Irsa, A.P.; Friedman, L.,
Mass spectra of halogen fluorides,
J. Inorg. Nucl. Chem., 1958, 6, 77. [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,
Bull. Acad. Sci. USSR, Div. Chem. Sci., 1979, 11, 2408. [all data]
Notes
Go To: Top, Gas phase 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) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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