Ethyne, fluoro-
- Formula: C2HF
- Molecular weight: 44.0277
- IUPAC Standard InChI: InChI=1S/C2HF/c1-2-3/h1H
- IUPAC Standard InChIKey: IAWCIZWLKMTPLL-UHFFFAOYSA-N
- CAS Registry Number: 2713-09-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Fluoroacetylene; Acetylene, fluoro-; Monofluoroacetylene; HC≡CF; Fluoroethyne; C2HF
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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 | 30.000 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1967 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 55.356 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1967 |
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 1400. | 1400. to 6000. |
|---|---|---|
| A | 11.76950 | 18.91280 |
| B | 9.136301 | 0.956460 |
| C | -3.968320 | -0.174983 |
| D | 0.705396 | 0.011207 |
| E | -0.147494 | -2.573810 |
| F | 25.62349 | 19.10260 |
| G | 66.21470 | 71.56109 |
| H | 30.00000 | 30.00000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1967 | Data last reviewed in December, 1967 |
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: C∞ν Symmetry Number σ = 1
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| σ+ | 1 | CH str | 3355 | B | 3355 VS | gas | ||||
| σ+ | 2 | CC str | 2255 | B | 2255 VS | gas | ||||
| σ+ | 3 | CF str | 1055 | B | 1055 VS | gas | ||||
| π | 4 | CH bend | 578 | B | 578 VS | gas | ||||
| π | 5 | CCF bend | 367 | B | 367 M | gas | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| M | Medium |
| B | 1~3 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 I, National Bureau of Standards, 1972, 1-160. [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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