Perchloryl fluoride
- Formula: ClFO3
- Molecular weight: 102.450
- IUPAC Standard InChIKey: XHFXMNZYIKFCPN-UHFFFAOYSA-N
- CAS Registry Number: 7616-94-6
- 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. - Other names: Chlorine fluoride oxide (ClO3F); Chlorine oxyfluoride (ClO3F); Trioxychlorofluoride; ClO3F; Chlorine fluoride oxide; Perchloryl fluoride ((ClO3)F); Chlorine oxyfluoride
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Gas phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 | -5.120 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1961 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 66.675 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1961 |
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 1200. | 1200. to 6000. |
---|---|---|
A | 8.763191 | 25.58521 |
B | 36.44460 | 0.134211 |
C | -30.08200 | -0.026457 |
D | 8.893980 | 0.001795 |
E | -0.149567 | -1.850750 |
F | -9.606700 | -17.76860 |
G | 66.83270 | 90.23009 |
H | -5.119991 | -5.119991 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in March, 1961 | Data last reviewed in March, 1961 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 | 226.4 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 127.2 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.3 K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
4.59 | 226. | MM | Koehler and Giauque, 1958 | Based on data from 164. to 228. K.; AC |
4.61 | 226. | C | Koehler and Giauque, 1958 | AC |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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 |
---|---|---|---|
12.945 ± 0.005 | PE | DeKock, Lloyd, et al., 1972 | LLK |
13.6 ± 0.2 | EI | Dibeler, Reese, et al., 1957 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
Cl+ | 23.0 ± 0.2 | ? | EI | Dibeler, Reese, et al., 1957 | RDSH |
ClO+ | 18.0 ± 0.5 | ? | EI | Dibeler, Reese, et al., 1957 | RDSH |
ClO2+ | 15.7 ± 0.5 | ? | EI | Dibeler, Reese, et al., 1957 | RDSH |
ClO3+ | 14.3 ± 0.2 | F | EI | Dibeler, Reese, et al., 1957 | RDSH |
F+ | 27. ± 3. | ? | EI | Dibeler, Reese, et al., 1957 | RDSH |
O+ | 22. ± 1. | ? | EI | Dibeler, Reese, et al., 1957 | RDSH |
O2+ | 15. ± 1. | ? | EI | Dibeler and Reese, 1964 | RDSH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, 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.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 1238 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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]
Koehler and Giauque, 1958
Koehler, J.K.; Giauque, W.F.,
Perchloryl Fluoride. Vapor Pressure, Heat Capacity, Heats of Fusion and Vaporization Failure of the Crystal to Distinguish O and F 1,
J. Am. Chem. Soc., 1958, 80, 11, 2659-2662, https://doi.org/10.1021/ja01544a016
. [all data]
DeKock, Lloyd, et al., 1972
DeKock, R.L.; Lloyd, D.R.; Hillier, I.H.; Saunders, V.R.,
Experimental and theoretical study of the electronic structures of sulphuryl fluoride and perchloryl fluoride,
Proc. R. Soc. London A:, 1972, 328, 401. [all data]
Dibeler, Reese, et al., 1957
Dibeler, V.H.; Reese, R.M.; Mann, D.E.,
Ionization and dissociation of perchlorylfluoride by electron impact,
J. Chem. Phys., 1957, 27, 176. [all data]
Dibeler and Reese, 1964
Dibeler, V.H.; Reese, R.M.,
Mass spectrometric study of photoionization. I. Apparatus and initial observations on acetylene, acetylene-d2, benzene, and benzene-d6,
J. Res. NBS, 1964, 68A, 409. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance 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 ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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