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, 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 | -158.87 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1965 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 281.59 | J/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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1100. | 1100. to 6000. |
---|---|---|
A | 60.40357 | 83.01600 |
B | 57.32582 | 0.072205 |
C | -54.42296 | -0.014656 |
D | 18.19525 | 0.001015 |
E | -0.827909 | -2.372190 |
F | -181.7576 | -190.8749 |
G | 335.2012 | 370.5422 |
H | -158.8661 | -158.8661 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in September, 1965 | Data last reviewed in September, 1965 |
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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 285.1 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.15 K; TRC |
Tboil | 284.9 | K | N/A | Wendoloski and Barber, 1958 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 196.94 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.15 K; TRC |
Tfus | 196.81 | K | N/A | Wendoloski and Barber, 1958 | Uncertainty assigned by TRC = 0.08 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 196.84 | K | N/A | Grisard, Bernhardt, et al., 1951 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.08 K; from melting curve in a calorimeter, To = 273.16 K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
27.5 | 313. | Sako, Horiguchi, et al., 1997 | Based on data from 299. to 317. K.; AC |
28.4 | 288. | Grisard, Bernhardt, et al., 1951, 2 | Based on data from 226. to 303. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
192.8 to 284.7 | 4.31282 | 1182.409 | -10.335 | 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 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, 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]
Wendoloski and Barber, 1958
Wendoloski, W.S.; Barber, E.J.,
Solid-Solid Equilibria of the System Uranium Hexafluoride-Chlorine Trifluroride,
J. Phys. Chem., 1958, 62, 750. [all data]
Grisard, Bernhardt, et al., 1951
Grisard, J.W.; Bernhardt, H.A.; Oliver, G.D.,
Thermal data, vapor pressure and entropy of chlorine tri- fluoride.,
J. Am. Chem. Soc., 1951, 73, 5725. [all data]
Sako, Horiguchi, et al., 1997
Sako, Takeshi; Horiguchi, Sadashige; Ichimaru, Hiroshi; Nakagawa, Shinsuke,
Vapor Pressure of Chlorine Trifluoride from 300 K to 317 K,
J. Chem. Eng. Data, 1997, 42, 1, 169-171, https://doi.org/10.1021/je960286g
. [all data]
Grisard, Bernhardt, et al., 1951, 2
Grisard, J.W.; Bernhardt, H.A.; Oliver, George D.,
Thermal Data, Vapor Pressure and Entropy of Chlorine Trifluoride 1,
J. Am. Chem. Soc., 1951, 73, 12, 5725-5727, https://doi.org/10.1021/ja01156a069
. [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]
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, Phase change 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) Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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