Ethene, tetrabromo-
- Formula: C2Br4
- Molecular weight: 343.637
- IUPAC Standard InChIKey: OVRRJBSHBOXFQE-UHFFFAOYSA-N
- CAS Registry Number: 79-28-7
- 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: Ethylene, tetrabromo-; Tetrabromoethene; Tetrabromoethylene
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Phase change 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 499.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
373.2 | 0.020 | Weast and Grasselli, 1989 | BS |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.6 | 236. | Stephenson and Malanowski, 1987 | Based on data from 221. to 310. K.; AC |
Gas phase ion energetics 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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
9.105 | PE | Potts, Novak, et al., 1983 |
IR Spectrum
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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
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
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 | Chemical Concepts |
NIST MS number | 163244 |
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: D2h Symmetry Number σ = 4
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
ag | 1 | CC str | 1535 | E | ia | 1547 p | liq. | FR(2ν9) | ||
ag | 1 | CC str | 1535 | E | ia | 1515 p | liq. | FR(2ν9) | ||
ag | 2 | CBr2 s-str | 265 | D | ia | 265 p | liq. | |||
ag | 3 | CBr2 scis | 144 | D | ia | 144 p | liq. | |||
au | 4 | CBr2 twist | 66 | E | ia | ia | ||||
b1g | 5 | CBr2 a-str | 880 | D | ia | 880 dp | liq. | |||
b1g | 6 | CBr2 rock | 208 | D | ia | 208 dp | liq. | |||
b1u | 7 | CBr2 wag | 245 | C | 245 S | liq. | ia | |||
b2g | 8 | CBr2 wag | 464 | D | ia | 464 dp | liq. | |||
b2u | 9 | CBr2 a-str | 766 | C | 766 S | liq. | ia | |||
b2u | 10 | CBr2 rock | 119 | C | 119 M | liq. | ia | |||
b3u | 11 | CBr2 s-str | 635 | C | 635 S | liq. | ia | |||
b3u | 12 | CBr2 scis | 188 | C | 188 M | liq. | ia | |||
Source: Shimanouchi, 1972
Notes
S | Strong |
M | Medium |
ia | Inactive |
p | Polarized |
dp | Depolarized |
FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
E | 15~30 cm-1 uncertainty |
References
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, 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.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Potts, Novak, et al., 1983
Potts, A.W.; Novak, I.; Lyus, M.L.,
The valence shell electronic structure and UV photoelectron spectra of the tetrahaloethylenes,
J. Electron Spectrosc. Relat. Phenom., 1983, 31, 57. [all data]
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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- Symbols used in this document:
Tboil Boiling point ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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