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
Go To: Top, Henry's Law 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 | -426.77 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1961 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 277.01 | J/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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 600. | 600. to 6000. |
|---|---|---|
| A | 20.33554 | 77.10024 |
| B | 154.9896 | 4.023795 |
| C | -168.6324 | -0.928882 |
| D | 72.84093 | 0.071069 |
| E | -0.096916 | -4.126374 |
| F | -438.7008 | -462.0433 |
| G | 261.7176 | 350.7041 |
| H | -426.7680 | -426.7680 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1961 | Data last reviewed in June, 1961 |
Henry's Law 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 by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
| k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference |
|---|---|---|---|
| 10. | C | N/A |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Henry's Law 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: Cs Symmetry Number σ = 1
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a' | 1 | CO str | 1868 | C | 1876 VS | gas | 1858 M | liq. | FR(ν2+ν3) | |
| a' | 1 | CO str | 1868 | C | 1847 VS | gas | 1832 M | liq. | ||
| a' | 2 | CF str | 1095 | B | 1095 S | gas | 1085 VW | liq. | ||
| a' | 3 | CCl str | 776 | C | 776 M | gas | 765 VS | liq. | ||
| a' | 4 | CO deform | 501 | C | 501 W | gas | 506 S | liq. | ||
| a' | 5 | CClF deform | 415 | C | 415 VW | gas | 410 M | liq. | ||
| a | 6 | Op-deform | 667 | B | 667 M | gas | 665 VW | liq. | ||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Henry's Law 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]
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, Henry's Law data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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