trifluoromethyl hypofluorite
- Formula: CF4O
- Molecular weight: 104.0037
- CAS Registry Number: 373-91-1
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Gas phase thermochemistry data
Go To: Top, Phase change 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -182.80 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1969 |
| ΔfH°gas | -184.0 ± 2.5 | kcal/mol | Eqk | Levy and Kennedy, 1972 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 77.075 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1969 |
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 1500. | 1500. to 6000. |
|---|---|---|
| A | 12.39137 | 31.14030 |
| B | 35.60588 | -0.221705 |
| C | -25.99881 | 0.048242 |
| D | 6.671559 | -0.003458 |
| E | -0.170966 | -2.775861 |
| F | -188.4369 | -198.8408 |
| G | 81.58939 | 105.3587 |
| H | -182.8000 | -182.8000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1969 | Data last reviewed in December, 1969 |
Phase change data
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 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 | 178. | K | N/A | PCR Inc., 1990 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 3.70 | 179. | A | Stephenson and Malanowski, 1987 | The table in Ref. Kellogg and Cady, 1948 gives the temperatures in °C; however, all of the equations and graphs in the article suggest that the temperature should be in Kelvin. We have assumed that the tabulated temperatures are in Kelvin; the results closely correspond to the entry in Ref. Stephenson and Malanowski, 1987.; 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 |
|---|---|---|---|---|---|
| 417.9 to 467.1 | 4.00665 | 630.837 | -293.801 | Kellogg and Cady, 1948 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 13.0 | PE | Robin and Kuebler, 1973 | LLK |
| 13.6 | PE | Robin and Kuebler, 1973 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C+ | 41. ± 1. | 4F+O? | EI | Thynne and MacNeil, 1970 | RDSH |
| CF+ | 31.1 ± 0.5 | ? | EI | Thynne and MacNeil, 1970 | RDSH |
| COF+ | 20.0 ± 0.3 | ? | EI | Thynne and MacNeil, 1970 | RDSH |
| CF2+ | 28.0 ± 0.5 | ? | EI | Thynne and MacNeil, 1970 | RDSH |
| COF2+ | 18.4 ± 0.2 | ? | EI | Thynne and MacNeil, 1970 | RDSH |
| CF3+ | 14.8 ± 0.2 | OF? | EI | Thynne and MacNeil, 1970 | RDSH |
| COF3+ | 16.1 ± 0.2 | F | EI | Thynne and MacNeil, 1970 | RDSH |
| F+ | 36. ± 1. | ? | EI | Thynne and MacNeil, 1970 | RDSH |
| OF+ | 38. ± 1. | ? | EI | Thynne and MacNeil, 1970 | RDSH |
| O+ | 36. ± 1. | ? | EI | Thynne and MacNeil, 1970 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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]
Levy and Kennedy, 1972
Levy, J.B.; Kennedy, R.C.,
Bistrifluoromethyl peroxide. I. Thermodynamics of the equilibrium with carbonyl fluoride and trifluoromethyl hypofluorite,
J. Am. Chem. Soc., 1972, 94, 3302-3305. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
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]
Kellogg and Cady, 1948
Kellogg, K.B.; Cady, George H.,
Trifluoromethyl Hypofluorite,
J. Am. Chem. Soc., 1948, 70, 12, 3986-3990, https://doi.org/10.1021/ja01192a006
. [all data]
Robin and Kuebler, 1973
Robin, M.B.; Kuebler, N.A.,
Excited electronic states of the simple alcohols,
J. Electron Spectrosc. Relat. Phenom., 1973, 1, 13. [all data]
Thynne and MacNeil, 1970
Thynne, J.C.J.; MacNeil, K.A.G.,
Ionisation and dissociation of carbonyl fluoride and trifluoromethyl hypofluorite by electron impact,
Intern. J. Mass Spectrom. Ion Phys., 1970, 5, 95. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy 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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