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Methane, bromo-

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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
Deltafgas-34.3 ± 0.8kJ/molEqkFerguson, Okafo, et al., 1973 
Deltafgas-38. ± 1.3kJ/molChydAdams, Carson, et al., 1966 
Deltafgas-37.5 ± 1.5kJ/molChydFowell, Lacher, et al., 1965 

Condensed 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 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
Deltafliquid-60.6 ± 1.3kJ/molChydAdams, Carson, et al., 1966Reanalyzed by Cox and Pilcher, 1970, Original value = -61.1 ± 1.3 kJ/mol; ALS
Quantity Value Units Method Reference Comment
liquid155.14J/mol*KN/AEgan and Kemp, 1938DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
114.6283.Kurbatov, 1948T = -67 to 9°C. Mean Cp, three temperatures.; DH
78.83280.Egan and Kemp, 1938T = 15 to 280 K.; DH

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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil276.6KN/AFarchan Laboratories, 1990BS
Tboil276.6KN/AMajer and Svoboda, 1985 
Tboil277.5KN/AMcKenna, Tartar, et al., 1953Uncertainty assigned by TRC = 0.3 K; TRC
Tboil277.65KN/AGrosse, 1937Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Ttriple179.47KN/AEgan and Kemp, 1938, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Deltavap23.24kJ/molN/AMajer and Svoboda, 1985 
Deltavap23.kJ/molCAdams, Carson, et al., 1966ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
23.912276.71N/AEgan and Kemp, 1938P = 101.325 kPA; DH
23.91276.6N/AMajer and Svoboda, 1985 
25.2262.N/ABeersmans and Jungers, 2010Based on data from 203. - 277. K.; AC
24.6281.A,EStephenson and Malanowski, 1987Based on data from 201. - 296. K. See also Li and Rossini, 1961.; AC
25.8238.N/AKudchadker, Kudchadker, et al., 1979Based on data from 223. - 278. K.; AC
23.9 ± 0.3276.66VEgan and Kemp, 1938, 3ALS
25.3263.N/AEgan and Kemp, 1938Based on data from 203. - 278. K.; AC

Entropy of vaporization

DeltavapS (J/mol*K) Temperature (K) Reference Comment
86.42276.71Egan and Kemp, 1938P; DH

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
203. - 276.84.268741069.708-25.771Beersmans and Jungers, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
5.98179.5Domalski and Hearing, 1996See also Kafarov, Dorokhov, et al., 1987.; AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
2.72173.8Domalski and Hearing, 1996CAL
33.3179.5

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.473173.78crystaline, IIcrystaline, IEgan and Kemp, 1938DH
5.979179.47crystaline, IliquidEgan and Kemp, 1938DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
2.72173.78crystaline, IIcrystaline, IEgan and Kemp, 1938DH
33.3179.47crystaline, IliquidEgan and Kemp, 1938DH

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

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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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
MS - José A. Martinho Simões
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

CH2Br- + Hydrogen cation = Methane, bromo-

By formula: CH2Br- + H+ = CH3Br

Quantity Value Units Method Reference Comment
Deltar1660. ± 10.kJ/molEndoHierl, Henchman, et al., 1992gas phase; HO- + MeBr:6.0±2.3 kcal/mol endo. "Better than Ingemann and Nibbering, 19852" 2.0 kcal would not show barrier; B
Deltar1650. ± 19.kJ/molEIAERogers, Simpson, et al., 2010gas phase; B
Deltar1643. ± 13.kJ/molG+TSIngemann and Nibbering, 1985, 2gas phase; B
Quantity Value Units Method Reference Comment
Deltar1631. ± 14.kJ/molH-TSHierl, Henchman, et al., 1992gas phase; HO- + MeBr:6.0±2.3 kcal/mol endo. "Better than Ingemann and Nibbering, 19852" 2.0 kcal would not show barrier; B
Deltar1614. ± 13.kJ/molIMRBIngemann and Nibbering, 1985, 2gas phase; B

Chlorine anion + Methane, bromo- = (Chlorine anion bullet Methane, bromo-)

By formula: Cl- + CH3Br = (Cl- bullet CH3Br)

Quantity Value Units Method Reference Comment
Deltar52.3 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar45.6 ± 2.1kJ/molTDAsDougherty and Roberts, 1974gas phase; B,M
Deltar51. ± 13.kJ/molIMRBRiveros, Breda, et al., 1973gas phase; Anchored: Larson and McMahon, 1984; B
Quantity Value Units Method Reference Comment
Deltar53.6J/mol*KHPMSDougherty and Roberts, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar28.5 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar30. ± 5.0kJ/molTDAsDougherty and Roberts, 1974gas phase; B

Bromine anion + Methane, bromo- = (Bromine anion bullet Methane, bromo-)

By formula: Br- + CH3Br = (Br- bullet CH3Br)

Quantity Value Units Method Reference Comment
Deltar46.9 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar38.5 ± 2.1kJ/molTDAsDougherty and Roberts, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar58.6J/mol*KHPMSDougherty and Roberts, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar19.2 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar20.9 ± 3.3kJ/molTDAsDougherty and Roberts, 1974gas phase; B

magnesium (cr) + Methane, bromo- (l) = CH3BrMg (solution)

By formula: Mg (cr) + CH3Br (l) = CH3BrMg (solution)

Quantity Value Units Method Reference Comment
Deltar-267.8 ± 4.4kJ/molRSCHolm, 1981solvent: Diethyl ether; Due to the possibility of side reactions, the enthalpy of reaction was not considered to be sufficiently reliable for deriving the enthalpy of formation of the Grignard reagent Holm, 1981; MS

Methyl cation + Methane, bromo- = (Methyl cation bullet Methane, bromo-)

By formula: CH3+ + CH3Br = (CH3+ bullet CH3Br)

Quantity Value Units Method Reference Comment
Deltar265.kJ/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/mol; Foster, Williamson, et al., 1974; M

Iodide + Methane, bromo- = (Iodide bullet Methane, bromo-)

By formula: I- + CH3Br = (I- bullet CH3Br)

Quantity Value Units Method Reference Comment
Deltar34.7 ± 0.84kJ/molN/AVan Duzor, Wei, et al., 2010gas phase; B
Deltar34.7 ± 2.1kJ/molPDisCyr, Bishea, et al., 1992gas phase; B

Trimethylindium (l) + 3Bromine (l) = Br3In (cr) + 3Methane, bromo- (g)

By formula: C3H9In (l) + 3Br2 (l) = Br3In (cr) + 3CH3Br (g)

Quantity Value Units Method Reference Comment
Deltar-665.3 ± 4.2kJ/molRSCClarke and Price, 1968Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

CH6N+ + Methane, bromo- = (CH6N+ bullet Methane, bromo-)

By formula: CH6N+ + CH3Br = (CH6N+ bullet CH3Br)

Quantity Value Units Method Reference Comment
Deltar46.9kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar87.9J/mol*KPHPMSMeot-Ner, 1984gas phase; M

Mercury, dimethyl- (l) + 2Bromine (l) = 2Methane, bromo- (g) + Mercury(II) bromide (cr)

By formula: C2H6Hg (l) + 2Br2 (l) = 2CH3Br (g) + Br2Hg (cr)

Quantity Value Units Method Reference Comment
Deltar-302.1 ± 2.5kJ/molRSCHartley, Pritchard, et al., 1950Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

Stannane, tetramethyl- (l) + Bromine (g) = C3H9BrSn (l) + Methane, bromo- (g)

By formula: C4H12Sn (l) + Br2 (g) = C3H9BrSn (l) + CH3Br (g)

Quantity Value Units Method Reference Comment
Deltar-202.1 ± 2.9kJ/molRSCPedley, Skinner, et al., 1957Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

Manganese, pentacarbonylmethyl- (cr) + 1.5Bromine (g) = manganese dibromide (cr) + 5Carbon monoxide (g) + Methane, bromo- (g)

By formula: C6H3MnO5 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 5CO (g) + CH3Br (g)

Quantity Value Units Method Reference Comment
Deltar-209. ± 3.kJ/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982MS

Manganese, acetylpentacarbonyl-, (OC-6-21)- (cr) + 1.5Bromine (g) = manganese dibromide (cr) + 6Carbon monoxide (g) + Methane, bromo- (g)

By formula: C7H3MnO6 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 6CO (g) + CH3Br (g)

Quantity Value Units Method Reference Comment
Deltar-161. ± 5.kJ/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982MS

Hydrogen + 2Methane, bromo- = 2Methane + Bromine

By formula: H2 + 2CH3Br = 2CH4 + Br2

Quantity Value Units Method Reference Comment
Deltar-28. ± 3.kJ/molChydAdams, Carson, et al., 1966liquid phase; ALS

Hydrogen + Methane, bromo- = Hydrogen bromide + Methane

By formula: H2 + CH3Br = HBr + CH4

Quantity Value Units Method Reference Comment
Deltar-73.6 ± 1.4kJ/molChydFowell, Lacher, et al., 1965gas phase; ALS

Methane + Bromine = Hydrogen bromide + Methane, bromo-

By formula: CH4 + Br2 = HBr + CH3Br

Quantity Value Units Method Reference Comment
Deltar-26.4 ± 0.7kJ/molEqkFerguson, Okafo, et al., 1973gas phase; ALS

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.15 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.0044360.XN/A 
0.19 LN/AValue at T = 293. K.
0.163100.LN/A 
0.16 VN/A 

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to CH3Br+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.541 ± 0.003eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)664.2kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity638.0kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.54SBaig, Connerade, et al., 1982LBLHLM
10.53PEKimura, Katsumata, et al., 1981LLK
10.53EIHolmes, Fingas, et al., 1981LLK
10.5 ± 0.2EIKaposi, Riedel, et al., 1976LLK
10.54 ± 0.01PITsai, Baer, et al., 1975LLK
10.5 ± 0.2EIKaposi, Riedel, et al., 1975LLK
10.541SHochmann, Templet, et al., 1975LLK
10.53PERagle, Stenhouse, et al., 1970RDSH
10.54PEPotts, Lempka, et al., 1970RDSH
10.53 ± 0.015PEHashmall and Heilbronner, 1970RDSH
10.53PIKrauss, Walker, et al., 1968RDSH
10.528 ± 0.005PINicholson, 1965RDSH
10.53 ± 0.01PIWatanabe, 1957RDSH
10.53 ± 0.02EIFrost and McDowell, 1957RDSH
10.541 ± 0.003SPrice, 1936RDSH
10.54PEAndrews, Dyke, et al., 1984Vertical value; LBLHLM
10.53PEUtsunomiya, Kobayashi, et al., 1980Vertical value; LLK
10.53PEUehara, Saito, et al., 1973Vertical value; LLK
10.70PEDixon, Murrell, et al., 1971Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Br+15.8 ± 0.5CH3EIKaposi, Riedel, et al., 1976LLK
Br+15.8 ± 0.5CH3EIKaposi, Riedel, et al., 1975LLK
Br+14.7 ± 0.05CH3EITsuda, Melton, et al., 1964RDSH
HBr+15.9 ± 0.3CH2EIKaposi, Riedel, et al., 1976LLK
HBr+15.9 ± 0.3CH2EIKaposi, Riedel, et al., 1975LLK
C+22.9 ± 0.5H+H2+BrEIKaposi, Riedel, et al., 1976LLK
C+22.9 ± 0.5H+H2+BrEIKaposi, Riedel, et al., 1975LLK
CBr+18.8 ± 0.3H+H2EIKaposi, Riedel, et al., 1976LLK
CBr+18.8 ± 0.3H+H2EIKaposi, Riedel, et al., 1975LLK
CH+21.7 ± 0.3H2+BrEIKaposi, Riedel, et al., 1976LLK
CH+21.7 ± 0.3H2+BrEIKaposi, Riedel, et al., 1975LLK
CH+21.41?EIReed and Snedden, 1956RDSH
CHBr+16.3 ± 0.5H2EIKaposi, Riedel, et al., 1976LLK
CHBr+16.3 ± 0.5H2EIKaposi, Riedel, et al., 1975LLK
CH2+14.7 ± 0.5HBrEIKaposi, Riedel, et al., 1976LLK
CH2+14.7 ± 0.5HBrEIKaposi, Riedel, et al., 1975LLK
CH2+14.9 ± 0.2HBrEITsuda and Hamill, 1964RDSH
CH2Br+13.4 ± 0.3HEIKaposi, Riedel, et al., 1976LLK
CH2Br+13.4 ± 0.3HEIKaposi, Riedel, et al., 1975LLK
CH2Br+12.12 ± 0.09HEIMartin, Lampe, et al., 1966RDSH
CH3+12.77BrPITraeger and McLoughlin, 1981LLK
CH3+12.8 ± 0.3BrEIKaposi, Riedel, et al., 1976LLK
CH3+12.80 ± 0.03BrPITsai, Baer, et al., 1975LLK
CH3+12.8 ± 0.3BrEIKaposi, Riedel, et al., 1975LLK
CH3+9.60 ± 0.05Br-EIWilliams and Hamill, 1968RDSH
CH3+12.77BrPIKrauss, Walker, et al., 1968RDSH

De-protonation reactions

CH2Br- + Hydrogen cation = Methane, bromo-

By formula: CH2Br- + H+ = CH3Br

Quantity Value Units Method Reference Comment
Deltar1660. ± 10.kJ/molEndoHierl, Henchman, et al., 1992gas phase; HO- + MeBr:6.0±2.3 kcal/mol endo. "Better than Ingemann and Nibbering, 19852" 2.0 kcal would not show barrier; B
Deltar1650. ± 19.kJ/molEIAERogers, Simpson, et al., 2010gas phase; B
Deltar1643. ± 13.kJ/molG+TSIngemann and Nibbering, 1985, 2gas phase; B
Quantity Value Units Method Reference Comment
Deltar1631. ± 14.kJ/molH-TSHierl, Henchman, et al., 1992gas phase; HO- + MeBr:6.0±2.3 kcal/mol endo. "Better than Ingemann and Nibbering, 19852" 2.0 kcal would not show barrier; B
Deltar1614. ± 13.kJ/molIMRBIngemann and Nibbering, 1985, 2gas phase; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Bromine anion + Methane, bromo- = (Bromine anion bullet Methane, bromo-)

By formula: Br- + CH3Br = (Br- bullet CH3Br)

Quantity Value Units Method Reference Comment
Deltar46.9 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar38.5 ± 2.1kJ/molTDAsDougherty and Roberts, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar58.6J/mol*KHPMSDougherty and Roberts, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar19.2 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar20.9 ± 3.3kJ/molTDAsDougherty and Roberts, 1974gas phase; B

Methyl cation + Methane, bromo- = (Methyl cation bullet Methane, bromo-)

By formula: CH3+ + CH3Br = (CH3+ bullet CH3Br)

Quantity Value Units Method Reference Comment
Deltar265.kJ/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/mol; Foster, Williamson, et al., 1974; M

CH6N+ + Methane, bromo- = (CH6N+ bullet Methane, bromo-)

By formula: CH6N+ + CH3Br = (CH6N+ bullet CH3Br)

Quantity Value Units Method Reference Comment
Deltar46.9kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar87.9J/mol*KPHPMSMeot-Ner, 1984gas phase; M

Chlorine anion + Methane, bromo- = (Chlorine anion bullet Methane, bromo-)

By formula: Cl- + CH3Br = (Cl- bullet CH3Br)

Quantity Value Units Method Reference Comment
Deltar52.3 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar45.6 ± 2.1kJ/molTDAsDougherty and Roberts, 1974gas phase; B,M
Deltar51. ± 13.kJ/molIMRBRiveros, Breda, et al., 1973gas phase; Anchored: Larson and McMahon, 1984; B
Quantity Value Units Method Reference Comment
Deltar53.6J/mol*KHPMSDougherty and Roberts, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar28.5 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar30. ± 5.0kJ/molTDAsDougherty and Roberts, 1974gas phase; B

Iodide + Methane, bromo- = (Iodide bullet Methane, bromo-)

By formula: I- + CH3Br = (I- bullet CH3Br)

Quantity Value Units Method Reference Comment
Deltar34.7 ± 0.84kJ/molN/AVan Duzor, Wei, et al., 2010gas phase; B
Deltar34.7 ± 2.1kJ/molPDisCyr, Bishea, et al., 1992gas phase; B

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, References, Notes

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, 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

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 19630

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UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Davidson, 1951
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 10156
Instrument Beckman DU
Melting point - 93.7
Boiling point 3.5

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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:   C3nu     Symmetry Number sigma = 3


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 CH3 s-str 2935  E 2972 M gas 2972 VS liq. FR(2«nu»5)
a1 1 CH3 s-str 2935  E 2862.1 M gas 2862 W liq. FR(2«nu»5)
a1 2 CH3 s-deform 1306  A 1305.9 S gas 1309 W liq.
a1 3 CBr str 611  A 611.1 S gas 609 S liq.
e 4 CH3 d-str 3056  A 3056.35 S gas 3068 VS liq.
e 5 CH3 d-deform 1443  A 1442.7 M gas 1456 M liq.
e 6 CH3 rock 955  A 954.7 M gas 956 VW liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
A0~1 cm-1 uncertainty
E15~30 cm-1 uncertainty

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, NIST Free Links, 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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedApiezon L130.429.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)
PackedApiezon L70.429.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryBP-1421.Health Safety Executive, 200050. m/0.22 mm/0.75 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 200. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-1414.Flanagan, Streete, et al., 199760. m/0.53 mm/5. «mu»m, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryPolydimethyl siloxanes415.Zenkevich and Chupalov, 1996Program: not specified
CapillarySPB-1414.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.420.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Ferguson, Okafo, et al., 1973
Ferguson, K.C.; Okafo, E.N.; Whittle, E., Bond dissociation energies from equilibrium studies Part 4.-The equilibrium Br2 + CH4 = HBr + CH3Br. Determination of D(CH3-Br) and «DELTA»Hf°(CH3Br,g), J. Chem. Soc. Faraday Trans. 1, 1973, 69, 295-301. [all data]

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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]

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

Egan and Kemp, 1938
Egan, C.J.; Kemp, J.D., Methyl bromide. The heat capacity, vapor pressure, heats of transition, fusion and vaporization. Entropy and density of the gas, J. Am. Chem. Soc., 1938, 60, 2097-2101. [all data]

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Beersmans and Jungers, 1947
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Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ion cyclotron resonance halide-exchange equilibria, J. Phys. Chem., 1984, 88, 1083. [all data]

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Pedley and Rylance, 1977
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Meot-Ner, 1984
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Baig, Connerade, et al., 1982
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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]

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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]

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Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

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Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, References