Ethyl bromide

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-15.2kcal/molCmKudchadker and Kudchadker, 1979 
Δfgas-15.6 ± 1.5kcal/molChydAshcroft, Carson, et al., 1965 
Δfgas-14.79 ± 0.24kcal/molChydFowell, Lacher, et al., 1965 
Δfgas-15.45 ± 0.50kcal/molEqkLane, Linnett, et al., 1953 

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-22.83 ± 0.50kcal/molChydAshcroft, Carson, et al., 1965Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -23.0 ± 1.5 kcal/mol; ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
25.29298.15Shehatta, 1993DH
24.09298.Kurbatov, 1948T = -50 to 37°C; mean Cp, five temperatures.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil311.5 ± 0.4KAVGN/AAverage of 15 out of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus155. ± 2.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tc503.8KN/AMajer and Svoboda, 1985 
Tc503.95KN/AHerz and Neukirch, 1923Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Pc61.5000atmN/AHerz and Neukirch, 1923Uncertainty assigned by TRC = 0.8000 atm; TRC
Quantity Value Units Method Reference Comment
ρc4.65mol/lN/AHerz and Neukirch, 1923Uncertainty assigned by TRC = 0.03 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap6.754kcal/molN/AMajer and Svoboda, 1985 
Δvap6.6 ± 0.3kcal/molVLane, Linnett, et al., 1953Heat of formation derived by Cox and Pilcher, 1970; ALS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
6.463311.6N/AMajer and Svoboda, 1985 
6.43349.AStephenson and Malanowski, 1987Based on data from 334. - 504. K.; AC
6.36341.AStephenson and Malanowski, 1987Based on data from 326. - 454. K.; AC
7.41467.AStephenson and Malanowski, 1987Based on data from 452. - 503. K.; AC
7.31240.EStephenson and Malanowski, 1987Based on data from 225. - 333. K. See also Li and Rossini, 1961 and Dykyj, 1970.; AC
6.60 ± 0.02305.CSvoboda, Majer, et al., 1977AC
6.45 ± 0.02312.CSvoboda, Majer, et al., 1977AC
6.26 ± 0.02323.CSvoboda, Majer, et al., 1977AC
6.67316.N/AZmaczynski, 1930Based on data from 301. - 348. K. See also Boublik, Fried, et al., 1984.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
305. - 323.11.800.3807503.8Majer and Svoboda, 1985 

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
301.29 - 348.514.106701121.371-38.478Zmaczynski, 1930, 2Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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.

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Bromine anion + Ethyl bromide = (Bromine anion • Ethyl bromide)

By formula: Br- + C2H5Br = (Br- • C2H5Br)

Quantity Value Units Method Reference Comment
Δr12.0 ± 1.0kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Δr11.60kcal/molTDAsDougherty, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.2cal/mol*KHPMSDougherty, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr5.90 ± 0.20kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Δr5.90kcal/molTDAsDougherty, 1974gas phase; B

Chlorine anion + Ethyl bromide = (Chlorine anion • Ethyl bromide)

By formula: Cl- + C2H5Br = (Cl- • C2H5Br)

Quantity Value Units Method Reference Comment
Δr13.6 ± 1.0kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Δr6.92 ± 0.20kcal/molTDAsLi, Ross, et al., 1996gas phase; B

Ethyl bromide = Hydrogen bromide + Ethylene

By formula: C2H5Br = HBr + C2H4

Quantity Value Units Method Reference Comment
Δr19.20 ± 0.50kcal/molEqkLane, Linnett, et al., 1953gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 19.1 kcal/mol; ALS

Hydrogen + Ethyl bromide = Hydrogen bromide + Ethane

By formula: H2 + C2H5Br = HBr + C2H6

Quantity Value Units Method Reference Comment
Δr-14.11 ± 0.27kcal/molChydFowell, Lacher, et al., 1965gas phase; ALS

Hydrogen + 2Ethyl bromide = 2Ethane + Bromine

By formula: H2 + 2C2H5Br = 2C2H6 + Br2

Quantity Value Units Method Reference Comment
Δr5.6 ± 3.0kcal/molChydAshcroft, Carson, et al., 1965liquid phase; ALS

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

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 NIST Mass Spectrometry Data Center, 1994
NIST MS number 133179

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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:   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. OV13)
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. OV514)
a' 5 CH3 d-deform 1451  D 1451 M gas 1442 dp liq. OV414)
a' 6 CH3 s-deform 1386  B 1386 M gas
a' 7 CH2 wag 1252  E 1258 VS gas 1248 p liq. FR911)
a' 7 CH2 wag 1252  E 1247 VS gas 1248 p liq. FR911)
a' 8 CH3 rock 1061  D 1061 VW gas 1069 p liq.
a' 9 CC str 964  B 964 S gas 960 dp liq. OV15)
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. OV1)
a 14 CH3 d-deform 1451  D 1451 M gas 1442 dp liq. OV45)
a 15 CH2 twist 1248  E CF
a 16 CH3 rock 964  D 964 S gas 960 dp liq. OV9)
a 17 CH2 rock 770  B 770 M gas
a 18 Torsion 247  C 247 gas MW: ν247

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
VWVery weak
pPolarized
dpDepolarized
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
CFCalculated frequency
OVOverlapped by band indicated in parentheses.
MWTorsional Frequency calculated from microwave spectroscopic data.
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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.

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]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Shehatta, 1993
Shehatta, I., Heat capacity at constant pressure of some halogen compounds, Thermochim. Acta, 1993, 213, 1-10. [all data]

Kurbatov, 1948
Kurbatov, V.Ya., Heat capacity of liquids. 2. Heat capacity and the temperature dependence of heat capacity from halogen derivatives of acylic hydrocarbons, Zh. Obshch. Kim., 1948, 18, 372-389. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Herz and Neukirch, 1923
Herz, W.; Neukirch, E., On Knowldge of the Critical State, Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1923, 104, 433-50. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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]

Li and Rossini, 1961
Li, J.C.M.; Rossini, F.D., Vapor Pressures and Boiling Points of the l-Fluoroalkanes, l-Chloroalkanes, l-Bromoalkanes, and l-Iodoalkanes, C 1 to C 20 ., J. Chem. Eng. Data, 1961, 6, 2, 268-270, https://doi.org/10.1021/je60010a025 . [all data]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Svoboda, Majer, et al., 1977
Svoboda, V.; Majer, V.; Veselý, F.; Pick, J., Heats of vaporization of alkyl bromides, Collect. Czech. Chem. Commun., 1977, 42, 6, 1755-1760, https://doi.org/10.1135/cccc19771755 . [all data]

Zmaczynski, 1930
Zmaczynski, M.A., J. Chim. Phys. Phys.-Chim. Biol., 1930, 27, 503. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Zmaczynski, 1930, 2
Zmaczynski, M.A., Recherches Ebullioscopiques et Tonometriques Comparatives de 8 Substances Organiques Etalons, J. Chim. Phys. Phys. Chim. Biol., 1930, 27, 503-517. [all data]

Li, Ross, et al., 1996
Li, C.; Ross, P.; Szulejko, J.; McMahon, T.B., High-Pressure Mass Spectrometric Investigations of the Potential Energy Surfaces of Gas-Phase Sn2 Reactions., J. Am. Chem. Soc., 1996, 118, 39, 9360, https://doi.org/10.1021/ja960565o . [all data]

Dougherty, 1974
Dougherty, R.C., SN2 reactions in the gas phase. Alkyl group structural effects, Org. Mass Spectrom., 1974, 8, 85. [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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References