Ethane, hexabromo-
- Formula: C2Br6
- Molecular weight: 503.445
- IUPAC Standard InChIKey: POJPQMDDRCILHJ-UHFFFAOYSA-N
- CAS Registry Number: 594-73-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Hexabromoethane
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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.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 133. | kJ/mol | Cm | Kudchadker and Kudchadker, 1979 |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Susan Richardson |
NIST MS number | 288256 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), 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: D3d Symmetry Number σ = 6
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
ag | 1 | CC str | 940 | C | ia | 940 M | sln. | |||
ag | 2 | CBr3 s-str | 255 | C | ia | 255 VS p | sln. | |||
ag | 3 | CBr3 s-deform | 120 | C | ia | 120 W | sln. | |||
a1u | 4 | Torsion | 51 | D | ia | ia | OC(ν4+ν10,ν4+ν11) | |||
a2u | 5 | CBr3 s-str | 559 | C | 559 S | sln. | ia | |||
a2u | 6 | CBr3 s-deform | 254 | C | 254 S | sln. | ia | |||
eg | 7 | CBr3 d-str | 768 | C | ia | 768 M dp | sln. | |||
eg | 8 | CBr3 d-deform | 204 | C | ia | 204 S dp | sln. | |||
eg | 9 | CBr3 rock | 139 | C | ia | 139 M | sln. | |||
eu | 10 | CBr3 d-str | 656 | C | 656 VS | sln. | ia | |||
eu | 11 | CBr3 d-deform | 168 | C | 168 S | sln. | ia | |||
eu | 12 | CBr3 rock | 82 | C | 82 M | sln. | ia | |||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
ia | Inactive |
p | Polarized |
dp | Depolarized |
OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), 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.
Kudchadker and Kudchadker, 1979
Kudchadker, S.A.; Kudchadker, A.P.,
Ideal gas thermodynamic properties of selected bromoethanes and iodoethane,
J. Phys. Chem. Ref. Data, 1979, 8, 519-526. [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, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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