Ethane, hexafluoro-
- Formula: C2F6
- Molecular weight: 138.0118
- IUPAC Standard InChIKey: WMIYKQLTONQJES-UHFFFAOYSA-N
- CAS Registry Number: 76-16-4
- 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: Perfluoroethane; F-116; Freon 116; Hexafluoroethane; C2F6; Fluorocarbon 116; UN 2193; Freon 1166SY; 1,1,1,2,2,2-Hexafluoroethane; R 116; Ethane, 1,1,1,2,2,2-hexafluoro-; HFC 116
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IR Spectrum
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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
Vibrational and/or electronic energy levels
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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: D3d Symmetry Number σ = 6
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1g | 1 | CC str | 1228 | D | ia | 1228 | gas | OC ( )Mean value of frequencies obtained from six combination bands. | ||
a1g | 2 | CF3 s-str | 807 | C | ia | 807 VS p | gas | |||
a1g | 3 | CF3 s-deform | 348 | C | ia | 348 W p | gas | |||
a1u | 4 | Torsion | 68 | D | ia | ia | CF | |||
a2u | 5 | CF3 s-str | 1117 | B | 1117 VS | gas | ia | |||
a2u | 6 | CF3 s-deform | 714 | B | 714 VS | gas | ia | |||
eg | 7 | CF3 d-str | 1250 | C | ia | 1250 VW dp | gas | |||
eg | 8 | CF3 d-deform | 619 | C | ia | 619 W dp | gas | |||
eg | 9 | CF3 rock | 372 | C | ia | 372 W dp | gas | |||
eu | 10 | CF3 d-str | 1251 | B | 1251 VS | gas | ia | |||
eu | 11 | CF3 d-deform | 520 | C | 520 S | gas | ia | |||
eu | 12 | CF3 rock | 220 | C | 220 S | gas | ia | |||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
W | Weak |
VW | Very weak |
ia | Inactive |
p | Polarized |
dp | Depolarized |
OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
CF | Calculated frequency |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
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