Thiocarbonyl fluoride
- Formula: CF2S
- Molecular weight: 82.073
- CAS Registry Number: 420-32-6
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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 by: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 4.59 | 196. | A | Stephenson and Malanowski, 1987 | Based on data from 133. to 211. K. See also Dykyj, 1970. |
| 4.16 | 196. | A | Stephenson and Malanowski, 1987 | Based on data from 178. to 211. K. See also Dykyj, Svoboda, et al., 1999 and Downs, 1962. |
Gas phase ion energetics 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to CF2S+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.3 | EI | Binnewies, Grosse, et al., 1985 | LBLHLM |
| 10.52 | PE | Mines, Thomas, et al., 1973 | LLK |
| 10.53 ± 0.10 | EI | Hildenbrand, 1973 | LLK |
| 10.45 ± 0.01 | PE | Kroto and Suffolk, 1972 | LLK |
| 10.64 | PE | Wittel, Hass, et al., 1972 | Vertical value; LLK |
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: 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 | CS str | 1368 | C | 1368 VS | gas | ||||
| a1 | 2 | CF2 s-str | 787 | C | 787 M | gas | ||||
| a1 | 3 | CF2 scis | 526 | C | 526 M | gas | ||||
| b1 | 4 | CF2 a-str | 1189 | C | 1189 S | gas | ||||
| b1 | 5 | CF2 rock | 417 | C | 417 VW | gas | ||||
| b2 | 6 | CF2 wag | 622 | C | 622 W | gas | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| C | 3~6 cm-1 uncertainty |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [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]
Downs, 1962
Downs, A.J.,
846. Thiocarbonyl fluoride,
J. Chem. Soc., 1962, 4361, https://doi.org/10.1039/jr9620004361
. [all data]
Binnewies, Grosse, et al., 1985
Binnewies, M.; Grosse, J.; Le Van, D.,
Reaktive E=C(p-p)π-systeme II: Massenspektrometrische untersuchun von F3CP=CF2, F3CAs=CF2, S=CF2 und Se=CF2,
Phosphorus Sulfur, 1985, 21, 349. [all data]
Mines, Thomas, et al., 1973
Mines, G.W.; Thomas, R.K.; Thompson, H.,
The photoelectron spectra of thiocarbonyl fluoride and thiocarbonyl chloride,
Proc. R. Soc. London A:, 1973, 333, 171. [all data]
Hildenbrand, 1973
Hildenbrand, D.L.,
Mass spectrometric studies of some gaseous sulfur fluorides,
J. Phys. Chem., 1973, 77, 897. [all data]
Kroto and Suffolk, 1972
Kroto, H.W.; Suffolk, R.J.,
The photoelectron spectrum of and F2CS fluorine substitution shifts,
Chem. Phys. Lett., 1972, 17, 213. [all data]
Wittel, Hass, et al., 1972
Wittel, K.; Hass, A.; Bock, H.,
Photoelektronenspektren und molekuleigenschaften, XVI. Thiocarbonylhalogenide-orbitale und ladungen,
Chem. Ber., 1972, 105, 3865. [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:
ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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