Sulfur hexafluoride
- Formula: F6S
- Molecular weight: 146.055
- IUPAC Standard InChI: InChI=1S/F6S/c1-7(2,3,4,5)6
- IUPAC Standard InChIKey: SFZCNBIFKDRMGX-UHFFFAOYSA-N
- CAS Registry Number: 2551-62-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Sulfur fluoride; OC-6-11; Elegas; SF6; Hexafluorure de soufre; UN 1080; Esaflon; sulphur hexafluoride
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, 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 | -291.699 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1976 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 69.675 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1976 |
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 | 14.07820 | 37.55719 |
| B | 61.07550 | 0.115684 |
| C | -60.29510 | -0.024074 |
| D | 21.21430 | 0.001703 |
| E | -0.384553 | -1.978881 |
| F | -299.4130 | -308.7930 |
| G | 68.83160 | 105.9300 |
| H | -291.7000 | -291.7000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1976 | Data last reviewed in June, 1976 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Gas Chromatography, 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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
( •
) +
= (
• 2
)
By formula: (F- • F6S) + F6S = (F- • 2F6S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.00 ± 0.30 | kcal/mol | TDAs | Hiraoka, Shimizu, et al., 1995 | gas phase; Entropy estimated. Gaff = +1.4 at 141 K |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -1.40 ± 0.30 | kcal/mol | TDAs | Hiraoka, Shimizu, et al., 1995 | gas phase; Entropy estimated. Gaff = +1.4 at 141 K |
By formula: F6S- + F6S = (F6S- • F6S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.30 ± 0.30 | kcal/mol | TDAs | Hiraoka, Shimizu, et al., 1995 | gas phase; Entropy estimated. Gaff=+0.37 at 141K |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -3.10 ± 0.30 | kcal/mol | TDAs | Hiraoka, Shimizu, et al., 1995 | gas phase; Entropy estimated. Gaff=+0.37 at 141K |
+
= (
•
)
By formula: F- + F6S = (F- • F6S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 5.40 ± 0.30 | kcal/mol | TDAs | Hiraoka, Shimizu, et al., 1995 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -0.6 ± 3.0 | kcal/mol | TDAs | Hiraoka, Shimizu, et al., 1995 | gas phase |
By formula: C6H4N2O4- + F6S = (C6H4N2O4- • F6S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | <8.50 | kcal/mol | IMRB | Chowdhury and Kebarle, 1986 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | <1.90 | kcal/mol | IMRB | Chowdhury and Kebarle, 1986 | gas phase |
By formula: C6H4N2O4- + F6S = (C6H4N2O4- • F6S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | <8.40 | kcal/mol | IMRB | Chowdhury and Kebarle, 1986 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | <1.70 | kcal/mol | IMRB | Chowdhury and Kebarle, 1986 | gas phase |
By formula: F5S- + F6S = (F5S- • F6S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | <2.30 | kcal/mol | TDAs | Hiraoka, Shimizu, et al., 1995 | gas phase; No formation at 141 K |
+
= (
•
)
By formula: Cl- + F6S = (Cl- • F6S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | <1.80 | kcal/mol | IMRB | Chowdhury and Kebarle, 1986 | gas phase |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas Chromatography, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, 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
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 135. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
| Capillary | SPB-1 | 135. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, 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]
Hiraoka, Shimizu, et al., 1995
Hiraoka, K.; Shimizu, A.; Minamitsu, A.; Nasu, M.; Fujimaki, S.; Yamabe, S.,
The small binding energies of the negative cluster ions: SF5-(SF6)1, SF6-(SF6)1 and F-(SF6)n (n=1 and 2), in the gas phase,
Chem. Phys. Lett., 1995, 241, 5-6, 623, https://doi.org/10.1016/0009-2614(95)00676-U
. [all data]
Chowdhury and Kebarle, 1986
Chowdhury, S.; Kebarle, P.,
Role of Binding Energies in A-.B and A.B- Complexes in the Kinetics of Gas Phase Electron Transfer Reactions:A- + B = A + B- Involving Perfluoro Compounds: SF6, C6F11CF3,
J. Chem. Phys., 1986, 85, 9, 4989, https://doi.org/10.1063/1.451687
. [all data]
Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]
Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J.,
Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, 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 ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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