Carbonic chloride fluoride
- Formula: CClFO
- Molecular weight: 82.462
- IUPAC Standard InChI: InChI=1S/CClFO/c2-1(3)4
- IUPAC Standard InChIKey: OXVVNXMNLYYMOL-UHFFFAOYSA-N
- CAS Registry Number: 353-49-1
- 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: Carbonyl chloride fluoride; COClF; Carbonyl chlorofluoride; Estra-1,3,5(10), 7-tetraen-17-one, 3-hydroxy-; Cholan-24-oic acid, 3,7-dihydroxy-, (3a,5β,7a)-
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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 | -102.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1961 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 66.207 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1961 |
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 600. | 600. to 6000. |
|---|---|---|
| A | 4.860311 | 18.42740 |
| B | 37.04340 | 0.961710 |
| C | -40.30411 | -0.222008 |
| D | 17.40940 | 0.016986 |
| E | -0.023164 | -0.986227 |
| F | -104.8520 | -110.4310 |
| G | 62.55201 | 83.82029 |
| H | -102.0000 | -102.0000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1961 | Data last reviewed in June, 1961 |
Phase change data
Go To: Top, Gas phase thermochemistry data, 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: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 5.43 | 196. | A | Stephenson and Malanowski, 1987 | Based on data from 165. to 211. K. See also Fischer and Buchanan, 1964. |
| 5.26 | 192. | N/A | Emel«65533»us and Wood, 1948 | Based on data from 157. to 227. K. |
Gas Chromatography
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 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 | Porapack Q | 290. | Zenkevich and Rodin, 2004 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, 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]
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]
Fischer and Buchanan, 1964
Fischer, G.; Buchanan, AS,
Vapour pressures of formyl fluoride and carbonyl chlorofluoride,
Aust. J. Chem., 1964, 17, 4, 481-621, https://doi.org/10.1071/CH9640481
. [all data]
Emel«65533»us and Wood, 1948
Emel«65533»us, H.J.; Wood, J.F.,
442. The preparation and reactions of carbonyl and sulphuryl fluorides and chlorofluorides,
J. Chem. Soc., 1948, 2183, https://doi.org/10.1039/jr9480002183
. [all data]
Zenkevich and Rodin, 2004
Zenkevich, I.G.; Rodin, A.A.,
Gas chromatographic identification of some volatile toxic fluorine containing compounds by precalculated retention indices,
J. Ecol. Chem. (Rus.), 2004, 13, 1, 22-28. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, 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 ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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