Sulfuryl chloride fluoride
- Formula: ClFO2S
- Molecular weight: 118.515
- IUPAC Standard InChI: InChI=1S/ClFO2S/c1-5(2,3)4
- IUPAC Standard InChIKey: IXPAAHZTOUOJJM-UHFFFAOYSA-N
- CAS Registry Number: 13637-84-8
- 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. - Other names: Sulfonyl chloride fluoride; Chloro fluoro sulfone; Chlorosulfonyl fluoride; Fluorosulfuryl chloride; Sulfuryl fluoride chloride; SO2FCl; Sulfuryl chlorofluoride; Fluorosulfonyl chloride; Sulfuryl fluorochloride; TL 212; SO2ClF; chlorosulphonyl fluoride
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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 | -133.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1971 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 72.380 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1971 |
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 | 11.64570 | 25.54639 |
| B | 30.64620 | 0.160059 |
| C | -26.01470 | -0.032350 |
| D | 8.011540 | 0.002239 |
| E | -0.140080 | -1.538691 |
| F | -138.0910 | -144.8050 |
| G | 77.63499 | 97.10110 |
| H | -133.0000 | -133.0000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1971 | Data last reviewed in June, 1971 |
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 by: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 6.93 | 226. | Dykyj, Svoboda, et al., 1999 | Based on data from 211. to 300. K. |
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
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 12.3 ± 0.5 | EI | Sullivan and Beauchamp, 1978 | LLK |
| 12.4 | PE | Mines, Thomas, et al., 1972 | LLK |
| 12.61 | PE | Mines, Thomas, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| O2FS+ | 13.0 ± 0.5 | Cl | EI | Sullivan and Beauchamp, 1978 | LLK |
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]
Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R.,
Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]
Sullivan and Beauchamp, 1978
Sullivan, S.A.; Beauchamp, J.L.,
Positive and negative ion chemistry of sulfuryl halides,
Int. J. Mass Spectrom. Ion Phys., 1978, 28, 69. [all data]
Mines, Thomas, et al., 1972
Mines, G.W.; Thomas, R.K.; Thompson, H.,
Photoelectron spectra of compounds containing thionyl and sulphuryl groups,
Proc. R. Soc. London A:, 1972, 329, 275. [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 S°gas,1 bar Entropy of gas at standard conditions (1 bar) 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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