sulphur chloride pentafluoride
- Formula: ClF5S
- Molecular weight: 162.510
- IUPAC Standard InChIKey: GSYNTTDHMKSMFY-UHFFFAOYSA-N
- CAS Registry Number: 13780-57-9
- 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: Sulfur chloride pentafluoride
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -248.301 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1977 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 76.458 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1977 |
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 1400. | 1400. to 6000. |
---|---|---|
A | 24.28270 | 37.69070 |
B | 29.23690 | 0.033553 |
C | -23.50450 | -0.006284 |
D | 6.563829 | 0.000408 |
E | -0.548914 | -1.738850 |
F | -258.4881 | -264.6759 |
G | 95.02689 | 114.0740 |
H | -248.3000 | -248.3000 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1977 | Data last reviewed in December, 1977 |
Gas phase ion energetics 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.335 ± 0.005 | PE | DeKock, Higginson, et al., 1972 | LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
Cl+ | 20.8 ± 0.3 | ? | EI | Harland and Thynne, 1969 | RDSH |
ClF4S+ | 14.76 | F | PI | Baumgartel, Jochims, et al., 1989 | LL |
SF4Cl+ | 15.9 ± 0.1 | F | EI | Harland and Thynne, 1969 | RDSH |
F+ | 33.8 ± 0.3 | ? | EI | Harland and Thynne, 1969 | RDSH |
F3S+ | 16.2 | ? | PI | Baumgartel, Jochims, et al., 1989 | LL |
F4S+ | 15.87 | ClF | PI | Baumgartel, Jochims, et al., 1989 | LL |
F5S+ | 12.32 | Cl | PI | Baumgartel, Jochims, et al., 1989 | LL |
SF5+ | 13.2 ± 0.2 | Cl | EI | Harland and Thynne, 1969 | RDSH |
S+ | 33.2 ± 0.5 | ? | EI | Harland and Thynne, 1969 | RDSH |
Vibrational and/or electronic energy levels
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: Takehiko Shimanouchi
Symmetry: C4ν Symmetry Number σ = 4
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | SF str | 855 | B | 854.6 VS | gas | 833 W p | liq. | ||
a1 | 2 | SF4 s-str | 707 | B | 707.2 VS | gas | 704 S p | liq. | ||
a1 | 3 | SF4 op-deform | 602 | B | 601.9 VS | gas | 603 W p | liq. | ||
a1 | 4 | SCl str | 402 | B | 401.7 VS | gas | 403 VS p | liq. | ||
b1 | 5 | SF4 a-str | 625 | C | ia | 625 M dp | liq. | |||
b1 | 6 | SF4 op-deform | 271 | C | ia | 271 M dp | liq. | |||
b2 | 7 | SF4 ip-deform | 505 | C | ia | 505 W dp | liq. | |||
e | 8 | SF4 d-str | 909 | B | 909.0 VS | gas | 927 W dp | liq. | ||
e | 9 | SF bend | 579 | B | 579.0 M | gas | 584 VW dp | liq. | ||
e | 10 | SF4 ip-deform | 441 | B | 441.0 S | gas | 442 M dp | liq. | ||
e | 11 | SCl bend | 397 | B | 396.5 S | gas | 396 S dp | liq. | ||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
ia | Inactive |
p | Polarized |
dp | Depolarized |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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]
DeKock, Higginson, et al., 1972
DeKock, R.L.; Higginson, B.R.; Lloyd, D.R.,
Photoelectron spectra of halides. Part 6.--The spectra of SF5Cl, BrF5 and IF5,
Faraday Discuss. Chem. Soc., 1972, 54, 84. [all data]
Harland and Thynne, 1969
Harland, P.; Thynne, J.C.J.,
Ionization and dissociation of pentafluorosulfur chloride by electron impact,
J. Phys. Chem., 1969, 73, 4031. [all data]
Baumgartel, Jochims, et al., 1989
Baumgartel, H.; Jochims, H.-W.; Ruhl, E.,
Photoionenspektroskopic an schwefelchloridpentafluorid SF5Cl, das ionisationspotential von schwefelpentafluorid SF5,
Z. Naturforsch. B:, 1989, 44, 21. [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, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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