Ethyl bromide
- Formula: C2H5Br
- Molecular weight: 108.965
- IUPAC Standard InChI: InChI=1S/C2H5Br/c1-2-3/h2H2,1H3
- IUPAC Standard InChIKey: RDHPKYGYEGBMSE-UHFFFAOYSA-N
- CAS Registry Number: 74-96-4
- 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: Ethane, bromo-; Bromic ether; Bromoethane; Hydrobromic ether; Monobromoethane; C2H5Br; 1-Bromoethane; Bromure d'ethyle; Etylu bromek; Halon 2001; NCI-C55481; UN 1891; NSC 8824
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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 | -63.6 | kJ/mol | Cm | Kudchadker and Kudchadker, 1979 | |
| ΔfH°gas | -65.3 ± 6.3 | kJ/mol | Chyd | Ashcroft, Carson, et al., 1965 | |
| ΔfH°gas | -61.9 ± 1.0 | kJ/mol | Chyd | Fowell, Lacher, et al., 1965 | |
| ΔfH°gas | -64.6 ± 2.1 | kJ/mol | Eqk | Lane, Linnett, et al., 1953 |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- LIQUID (NEAT); BAIRD (GRATING); 2 cm-1 resolution
- LIQUID (NEAT); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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: 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 | CH3 d-str | 2988 | C | 2988 S | gas | 2971 p | liq. | OV(ν13) | |
| a' | 2 | CH2 s-str | 2937 | B | 2936.5 S | gas | 2924 p | liq. | ||
| a' | 3 | CH3 s-str | 2880 | B | 2879.8 S | gas | ||||
| a' | 4 | CH2 scis | 1451 | D | 1451 M | gas | 1442 dp | liq. | OV(ν5+ν14) | |
| a' | 5 | CH3 d-deform | 1451 | D | 1451 M | gas | 1442 dp | liq. | OV(ν4+ν14) | |
| a' | 6 | CH3 s-deform | 1386 | B | 1386 M | gas | ||||
| a' | 7 | CH2 wag | 1252 | E | 1258 VS | gas | 1248 p | liq. | FR(ν9+ν11) | |
| a' | 7 | CH2 wag | 1252 | E | 1247 VS | gas | 1248 p | liq. | FR(ν9+ν11) | |
| a' | 8 | CH3 rock | 1061 | D | 1061 VW | gas | 1069 p | liq. | ||
| a' | 9 | CC str | 964 | B | 964 S | gas | 960 dp | liq. | OV(ν15) | |
| a' | 10 | CBr str | 583 | B | 583 VS | gas | 560 p | liq. | ||
| a' | 11 | CCBr deform | 290 | B | 290 S | gas | 292 p | liq. | ||
| a | 12 | CH2 a-str | 3018 | B | 3018 S | gas | ||||
| a | 13 | CH3 d-str | 2988 | C | 2988 S | gas | 2971 p | liq. | OV(ν1) | |
| a | 14 | CH3 d-deform | 1451 | D | 1451 M | gas | 1442 dp | liq. | OV(ν4,ν5) | |
| a | 15 | CH2 twist | 1248 | E | CF | |||||
| a | 16 | CH3 rock | 964 | D | 964 S | gas | 960 dp | liq. | OV(ν9) | |
| a | 17 | CH2 rock | 770 | B | 770 M | gas | ||||
| a | 18 | Torsion | 247 | C | 247 | gas | MW: ν247 | |||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| VW | Very weak |
| p | Polarized |
| dp | Depolarized |
| FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
| CF | Calculated frequency |
| OV | Overlapped by band indicated in parentheses. |
| MW | Torsional Frequency calculated from microwave spectroscopic data. |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
| E | 15~30 cm-1 uncertainty |
Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | OV-1 | 100. | 524. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | OV-1 | 125. | 529. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | OV-1 | 75. | 517. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | SE-30 | 100. | 522. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
| Packed | Porapack Q | 200. | 484. | Goebel, 1982 | N2 |
| Packed | Apolane | 70. | 509.6 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
| Packed | DC-200 | 100. | 519. | Rohrschneider, 1966 | Column length: 4. m |
| Packed | Squalane | 100. | 504. | Rohrschneider, 1966 | Column length: 5. m |
| Packed | Apiezon L | 100. | 529. | Rohrschneider, 1966 | Column length: 5. m |
| Packed | Apiezon L | 130. | 530. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
| Packed | Apiezon L | 70. | 522. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SP-1000 | 100. | 792.57 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | SP-1000 | 125. | 795.84 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | SP-1000 | 75. | 777.51 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | Carbowax 20M | 75. | 776. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
| Packed | Carbowax 20M | 100. | 783. | Rohrschneider, 1966 | Column length: 2. m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 514. | Dimov and Milina, 1989 | H2, 2. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 40. C; Tend: 280. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxanes | 511. | Zenkevich and Chupalov, 1996 | Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 518. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | PEG-20M | 100. to 150. | 784. | Wang and Wu, 1990 | N2; Column length: 58. m; Column diameter: 0.35 mm |
References
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, 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]
Ashcroft, Carson, et al., 1965
Ashcroft, S.J.; Carson, A.S.; Carter, W.; Laye, P.G.,
Thermochemistry of reductions caused by lithium aluminium hydride. Part 3.- The C-halogen bond dissociation energies in ethyl iodine and ethyl bromide,
Trans. Faraday Soc., 1965, 61, 225-229. [all data]
Fowell, Lacher, et al., 1965
Fowell, P.; Lacher, J.R.; Park, J.D.,
Reaction heats of organic compounds. Part 3.-Heats of hydrogenation of methyl bromide and ethyl bromide,
Trans. Faraday Soc., 1965, 61, 1324-1327. [all data]
Lane, Linnett, et al., 1953
Lane, M.R.; Linnett, J.W.; Oswin, H.G.,
A study of the C2H4+HCl=C2H5Cl and C2H4+Hbr=C2H5Br equilibria,
Proc. Roy. Soc. London A, 1953, 216, 361-374. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Castello and Gerbino, 1988
Castello, G.; Gerbino, T.C.,
Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases,
J. Chromatogr., 1988, 437, 33-45, https://doi.org/10.1016/S0021-9673(00)90369-8
. [all data]
Winskowski, 1983
Winskowski, J.,
Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren,
Chromatographia, 1983, 17, 3, 160-165, https://doi.org/10.1007/BF02271041
. [all data]
Goebel, 1982
Goebel, K.-J.,
Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe,
J. Chromatogr., 1982, 235, 1, 119-127, https://doi.org/10.1016/S0021-9673(00)95793-5
. [all data]
Riedo, Fritz, et al., 1976
Riedo, F.; Fritz, D.; Tarján, G.; Kováts, E.Sz.,
A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography,
J. Chromatogr., 1976, 126, 63-83, https://doi.org/10.1016/S0021-9673(01)84063-2
. [all data]
Rohrschneider, 1966
Rohrschneider, L.,
Eine methode zur charakterisierung von gaschromatographischen trennflüssigkeiten,
J. Chromatogr., 1966, 22, 6-22, https://doi.org/10.1016/S0021-9673(01)97064-5
. [all data]
von Kováts, 1958
von Kováts, E.,
206. Gas-chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone,
Helv. Chim. Acta, 1958, 41, 7, 1915-1932, https://doi.org/10.1002/hlca.19580410703
. [all data]
Dimov and Milina, 1989
Dimov, N.; Milina, R.,
Precalculation of gas chromatographic retention indices of linear 1-halogenoalkanes,
J. Chromatogr., 1989, 463, 159-164, https://doi.org/10.1016/S0021-9673(01)84464-2
. [all data]
Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A.,
New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments,
Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Wang and Wu, 1990
Wang, Z.; Wu, C.,
Volatile matter of Chinese lacquer,
Lin chan hua xue yu gong ye, 1990, 10, 1, 39-41. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, 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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