Sulfuryl fluoride
- Formula: F2O2S
- Molecular weight: 102.061
- IUPAC Standard InChI: InChI=1S/F2O2S/c1-5(2,3)4
- IUPAC Standard InChIKey: OBTWBSRJZRCYQV-UHFFFAOYSA-N
- CAS Registry Number: 2699-79-8
- 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 fluoride; Sulfur dioxide difluoride; Sulfur fluoride oxide (SO2F2); Sulfuric oxyfluoride; Vikane; SO2F2; Fluorure de sulfuryle; Sulphuryl fluoride; UN 2191; Vikane fumigant; Sulfur difluoride dioxide; sulphuryl difluoride
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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 | -758.56 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1971 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 283.61 | J/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 (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 1200. | 1200. to 6000. |
|---|---|---|
| A | 39.63298 | 106.9192 |
| B | 143.5786 | 0.630136 |
| C | -117.0968 | -0.124074 |
| D | 34.33537 | 0.008410 |
| E | -0.635612 | -7.751404 |
| F | -777.9269 | -811.2525 |
| G | 290.0951 | 382.4490 |
| H | -758.5592 | -758.5592 |
| 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, Vibrational and/or electronic energy levels, 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 (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 20.0 | 175. | Dykyj, Svoboda, et al., 1999 | Based on data from 160. to 233. K. |
Vibrational and/or electronic energy levels
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 by: Takehiko Shimanouchi
Symmetry: C2ν Symmetry Number σ = 2
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | SO2 s-str | 1269 | C | 1269 S | gas | 1270 M | gas | ||
| a1 | 2 | SF2 s-str | 848 | C | 848 S | gas | 847 S | gas | ||
| a1 | 3 | SO2 scis | 544 | D | 544.3 M | gas | 543 M | gas | ||
| a1 | 4 | SF2 scis | 385 | D | 384.5 VW | gas | ||||
| a2 | 5 | SF2 twist | 388 | C | ia | 388 W | gas | |||
| b1 | 6 | SO2 a-str | 1502 | C | 1502 S | gas | 1502 VW | gas | ||
| b1 | 7 | SO2 rock | 553 | D | 552.8 M | gas | ||||
| b1 | 8 | SF2 a-str | 885 | C | 885 S | gas | 883 VW | gas | ||
| b1 | 9 | SO2 wag | 539 | D | 539.4 M | gas | ||||
Source: Shimanouchi, 1972
Notes
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| ia | Inactive |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Vibrational and/or electronic energy levels, 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]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
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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