Thionyl fluoride
- Formula: F2OS
- Molecular weight: 86.061
- IUPAC Standard InChI: InChI=1S/F2OS/c1-4(2)3
- IUPAC Standard InChIKey: LSJNBGSOIVSBBR-UHFFFAOYSA-N
- CAS Registry Number: 7783-42-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Sulfur difluoride oxide; Sulfurous oxyfluoride; Thionyl difluoride; SOF2; Fluorure de thionyle; Sulfur difluoride monoxide; OSF2
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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 | -130.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1972 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 66.714 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1972 |
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 1000. | 1000. to 6000. |
|---|---|---|
| A | 8.980971 | 19.68150 |
| B | 25.77519 | 0.109882 |
| C | -23.92770 | -0.022789 |
| D | 8.051439 | 0.001609 |
| E | -0.098349 | -0.996799 |
| F | -133.9580 | -138.6800 |
| G | 70.33580 | 86.28270 |
| H | -130.0000 | -130.0000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1972 | Data last reviewed in June, 1972 |
Phase change 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.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 230. to 235. | K | N/A | PCR Inc., 1990 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 5.66 | 188. | Dykyj, Svoboda, et al., 1999 | Based on data from 173. to 244. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 174.42 to 229.1 | 3.79732 | 676.1 | -50.852 | Pace and Turnbull, 1965 | Coefficents calculated by NIST from author's data. |
Vibrational and/or electronic energy levels
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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: Cs Symmetry Number σ = 1
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a' | 1 | SO str | 1333 | D | 1340.8 S | gas | 1339.3 VS | gas | ||
| a' | 1 | SO str | 1333 | D | 1330.9 S | gas | 1329.9 VS | gas | FR(ν2+ν3) | |
| a' | 2 | SF2 s-str | 808 | B | 808.2 VS | gas | 808.3 VS | gas | ||
| a' | 3 | OSF deform | 530 | B | 530.4 M | gas | 529.6 S | gas | ||
| a' | 4 | SF2 scis | 378 | D | 377.8 W | gas | 379.5 W | liq. | ||
| a | 5 | SF2 a-str | 747 | C | 747.0 VS | gas | 746.8 W | gas | ||
| a | 6 | OSF deform | 393 | D | 392.5 W | gas | 398.6 M | liq. | ||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
| B | 1~3 cm-1 uncertainty |
| 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]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [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]
Pace and Turnbull, 1965
Pace, E.L.; Turnbull, B.F.,
Thermodynamic Properties of Thionyl Fluoride from 13 ºK to its Boiling Point Entropy from Molecular and Spectroscopic Data,
J. Chem. Phys., 1965, 43, 6, 1953-1957, https://doi.org/10.1063/1.1697059
. [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
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- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling 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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