Phosphoryl chloride fluoride
- Formula: Cl2FOP
- Molecular weight: 136.878
- IUPAC Standard InChI: InChI=1S/Cl2FOP/c1-5(2,3)4
- IUPAC Standard InChIKey: YNECJZSONMVFHE-UHFFFAOYSA-N
- CAS Registry Number: 13769-76-1
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, 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 | -183.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1963 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 76.573 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1963 |
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 1100. | 1100. to 6000. |
|---|---|---|
| A | 15.61110 | 25.67770 |
| B | 23.11490 | 0.086725 |
| C | -20.31700 | -0.017474 |
| D | 6.424341 | 0.001205 |
| E | -0.170092 | -1.086841 |
| F | -189.0860 | -193.7160 |
| G | 88.46140 | 103.0230 |
| H | -183.0000 | -183.0000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in March, 1963 | Data last reviewed in March, 1963 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry 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 | PO str | 1331 | D | 1331 p | liq. | ||||
| a' | 2 | PF str | 894 | D | 894 p | liq. | ||||
| a' | 3 | PCl2 s-str | 547 | D | 547 p | liq. | ||||
| a' | 4 | PO ip-bend | 386 | D | 386 p | liq. | ||||
| a' | 5 | PF bend | 330 | D | 330 p | liq. | ||||
| a' | 6 | PCl2 scis | 207 | D | 207 p | liq. | ||||
| a | 7 | PCl2 a-str | 620 | D | 620 dp | liq. | ||||
| a | 8 | PO op-bend | 372 | D | 372 dp | liq. | ||||
| a | 9 | PCl2 rock | 254 | D | 254 dp | liq. | ||||
Source: Shimanouchi, 1972
Notes
| p | Polarized |
| dp | Depolarized |
| D | 6~15 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry 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, Vibrational and/or electronic energy levels, 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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