Methane, bromo-
- Formula: CH3Br
- Molecular weight: 94.939
- IUPAC Standard InChIKey: GZUXJHMPEANEGY-UHFFFAOYSA-N
- CAS Registry Number: 74-83-9
- 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. - Isotopologues:
- Other names: Bromomethane; Curafume; Embafume; Halon 1001; Haltox; Iscobrome; Methyl bromide; Monobromomethane; Terabol; CH3Br; Bercema; Brom-methan; Brom-O-gas; Brom-O-gaz; Bromometano; Bromure de methyle; Bromuro di metile; Broommethaan; Celfume; Dawson 100; Detia gas ex-M; Dowfume mc-2; Dowfume mc-33; Dowfume mc-2 soil fumigant; Edco; Fumigant-1; Kayafume; MBX; MeBr; Metafume; Methogas; Methylbromid; Metylu bromek; Pestmaster; Profume; R 40B1; Rcra waste number U029; Terr-O-gas 67; Terr-O-gas 100; UN 1062; Zytox; Brom-O-sol; Methybrom
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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 | -34.3 ± 0.8 | kJ/mol | Eqk | Ferguson, Okafo, et al., 1973 | |
ΔfH°gas | -38. ± 1.3 | kJ/mol | Chyd | Adams, Carson, et al., 1966 | |
ΔfH°gas | -37.5 ± 1.5 | kJ/mol | Chyd | Fowell, 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 |
---|---|---|---|---|---|
ΔfH°liquid | -60.6 ± 1.3 | kJ/mol | Chyd | Adams, Carson, et al., 1966 | Reanalyzed by Cox and Pilcher, 1970, Original value = -61.1 ± 1.3 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 155.14 | J/mol*K | N/A | Egan and Kemp, 1938 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
114.6 | 283. | Kurbatov, 1948 | T = -67 to 9°C. Mean Cp, three temperatures.; DH |
78.83 | 280. | Egan and Kemp, 1938 | T = 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, Chris Muzny 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 |
---|---|---|---|---|---|
Tboil | 276.6 | K | N/A | Farchan Laboratories, 1990 | BS |
Tboil | 276.6 | K | N/A | Majer and Svoboda, 1985 | |
Tboil | 277.5 | K | N/A | McKenna, Tartar, et al., 1953 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 277.65 | K | N/A | Grosse, 1937 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 179.47 | K | N/A | Egan and Kemp, 1938, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 23.24 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 23. | kJ/mol | C | Adams, Carson, et al., 1966 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
23.912 | 276.71 | N/A | Egan and Kemp, 1938 | P = 101.325 kPA; DH |
23.91 | 276.6 | N/A | Majer and Svoboda, 1985 | |
25.2 | 262. | N/A | Beersmans and Jungers, 2010 | Based on data from 203. to 277. K.; AC |
24.6 | 281. | A,E | Stephenson and Malanowski, 1987 | Based on data from 201. to 296. K. See also Li and Rossini, 1961.; AC |
25.8 | 238. | N/A | Kudchadker, Kudchadker, et al., 1979 | Based on data from 223. to 278. K.; AC |
23.9 ± 0.3 | 276.66 | V | Egan and Kemp, 1938, 3 | ALS |
25.3 | 263. | N/A | Egan and Kemp, 1938 | Based on data from 203. to 278. K.; AC |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
86.42 | 276.71 | Egan and Kemp, 1938 | P; 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. to 276.8 | 4.26874 | 1069.708 | -25.771 | Beersmans and Jungers, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
5.98 | 179.5 | Domalski and Hearing, 1996 | See also Kafarov, Dorokhov, et al., 1987.; AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.72 | 173.8 | Domalski and Hearing, 1996 | CAL |
33.3 | 179.5 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.473 | 173.78 | crystaline, II | crystaline, I | Egan and Kemp, 1938 | DH |
5.979 | 179.47 | crystaline, I | liquid | Egan and Kemp, 1938 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
2.72 | 173.78 | crystaline, II | crystaline, I | Egan and Kemp, 1938 | DH |
33.3 | 179.47 | crystaline, I | liquid | Egan and Kemp, 1938 | DH |
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- + =
By formula: CH2Br- + H+ = CH3Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1660. ± 10. | kJ/mol | Endo | Hierl, Henchman, et al., 1992 | gas phase; HO- + MeBr:6.0±2.3 kcal/mol endo. "Better than Ingemann and Nibbering, 19852" 2.0 kcal would not show barrier; B |
ΔrH° | 1650. ± 19. | kJ/mol | EIAE | Rogers, Simpson, et al., 2010 | gas phase; B |
ΔrH° | 1643. ± 13. | kJ/mol | G+TS | Ingemann and Nibbering, 1985, 2 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1631. ± 14. | kJ/mol | H-TS | Hierl, Henchman, et al., 1992 | gas phase; HO- + MeBr:6.0±2.3 kcal/mol endo. "Better than Ingemann and Nibbering, 19852" 2.0 kcal would not show barrier; B |
ΔrG° | 1614. ± 13. | kJ/mol | IMRB | Ingemann and Nibbering, 1985, 2 | gas phase; B |
By formula: Cl- + CH3Br = (Cl- • CH3Br)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.3 ± 4.2 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrH° | 45.6 ± 2.1 | kJ/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B,M |
ΔrH° | 51. ± 13. | kJ/mol | IMRB | Riveros, Breda, et al., 1973 | gas phase; Anchored: Larson and McMahon, 1984; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 53.6 | J/mol*K | HPMS | Dougherty and Roberts, 1974 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 28.5 ± 0.84 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrG° | 30. ± 5.0 | kJ/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B |
By formula: Br- + CH3Br = (Br- • CH3Br)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.9 ± 4.2 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrH° | 38.5 ± 2.1 | kJ/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 58.6 | J/mol*K | HPMS | Dougherty and Roberts, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 19.2 ± 0.84 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrG° | 20.9 ± 3.3 | kJ/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B |
(cr) + (l) = CH3BrMg (solution)
By formula: Mg (cr) + CH3Br (l) = CH3BrMg (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -267.8 ± 4.4 | kJ/mol | RSC | Holm, 1981 | solvent: 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 |
By formula: CH3+ + CH3Br = (CH3+ • CH3Br)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 265. | kJ/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/mol; Foster, Williamson, et al., 1974; M |
By formula: I- + CH3Br = (I- • CH3Br)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34.7 ± 0.84 | kJ/mol | N/A | Van Duzor, Wei, et al., 2010 | gas phase; B |
ΔrH° | 34.7 ± 2.1 | kJ/mol | PDis | Cyr, Bishea, et al., 1992 | gas phase; B |
(l) + 3 (l) = Br3In (cr) + 3 (g)
By formula: C3H9In (l) + 3Br2 (l) = Br3In (cr) + 3CH3Br (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -665.3 ± 4.2 | kJ/mol | RSC | Clarke and Price, 1968 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
By formula: CH6N+ + CH3Br = (CH6N+ • CH3Br)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.9 | kJ/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 87.9 | J/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: C2H6Hg (l) + 2Br2 (l) = 2CH3Br (g) + Br2Hg (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -302.1 ± 2.5 | kJ/mol | RSC | Hartley, Pritchard, et al., 1950 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
(l) + (g) = C3H9BrSn (l) + (g)
By formula: C4H12Sn (l) + Br2 (g) = C3H9BrSn (l) + CH3Br (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -202.1 ± 2.9 | kJ/mol | RSC | Pedley, Skinner, et al., 1957 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
(cr) + 1.5 (g) = (cr) + 5 (g) + (g)
By formula: C6H3MnO5 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 5CO (g) + CH3Br (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -209. ± 3. | kJ/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 | MS |
(cr) + 1.5 (g) = (cr) + 6 (g) + (g)
By formula: C7H3MnO6 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 6CO (g) + CH3Br (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -161. ± 5. | kJ/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 | MS |
By formula: H2 + 2CH3Br = 2CH4 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28. ± 3. | kJ/mol | Chyd | Adams, Carson, et al., 1966 | liquid phase; ALS |
By formula: H2 + CH3Br = HBr + CH4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -73.6 ± 1.4 | kJ/mol | Chyd | Fowell, Lacher, et al., 1965 | gas phase; ALS |
By formula: CH4 + Br2 = HBr + CH3Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -26.4 ± 0.7 | kJ/mol | Eqk | Ferguson, Okafo, et al., 1973 | gas phase; ALS |
IR Spectrum
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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
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
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. |
---|---|
NIST MS number | 19630 |
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: C3ν Symmetry Number σ = 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(2ν5) | |
a1 | 1 | CH3 s-str | 2935 | E | 2862.1 M | gas | 2862 W | liq. | FR(2ν5) | |
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
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
A | 0~1 cm-1 uncertainty |
E | 15~30 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.
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 ΔHf°(CH3Br,g),
J. Chem. Soc. Faraday Trans. 1, 1973, 69, 295-301. [all data]
Adams, Carson, et al., 1966
Adams, G.P.; Carson, A.S.; Laye, P.G.,
Thermochemistry of reductions caused by lithium aluminium hydride. Part 4.-Heat of formation of methyl bromide,
Trans. Faraday Soc., 1966, 62, 1447-1449. [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]
Cox and Pilcher, 1970
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]
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]
Farchan Laboratories, 1990
Farchan Laboratories,
Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [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]
McKenna, Tartar, et al., 1953
McKenna, F.E.; Tartar, H.V.; Lingafelter, E.C.,
Studies of hemiacetal formation in alcohol - aldehyde systems: II refraction studies,
J. Am. Chem. Soc., 1953, 75, 604-7. [all data]
Grosse, 1937
Grosse, A.V.,
Refractive Indices at Low Temperatures,
J. Am. Chem. Soc., 1937, 59, 2739-41. [all data]
Egan and Kemp, 1938, 2
Egan, C.J.; Kemp, J.D.,
Methyl Bromide. The Heat Capacity, Vapor Pressure, Heats of Trans- ition, Fusion and Vaporization. Entropy and Density of the Gas,
J. Am. Chem. Soc., 1938, 60, 2097. [all data]
Beersmans and Jungers, 2010
Beersmans, J.; Jungers, J.C.,
Synthèse et Étude des Chlorure, Bromure et Iodure de Deutérométhyle,
Bull. Soc. Chim. Belges, 2010, 56, 5-8, 238-250, https://doi.org/10.1002/bscb.19470560506
. [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]
Kudchadker, Kudchadker, et al., 1979
Kudchadker, A.P.; Kudchadker, S.A.; Shukla, R.P.; Patnaik, P.R.,
Vapor pressures and boiling points of selected halomethanes,
J. Phys. Chem. Ref. Data, 1979, 8, 2, 499, https://doi.org/10.1063/1.555600
. [all data]
Egan and Kemp, 1938, 3
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, 2097-21. [all data]
Beersmans and Jungers, 1947
Beersmans, J.; Jungers, J.C.,
Synthese et Etude des Chlorure, Bromure et Iodure de Deuteromethyle,
Bull. Soc. Chim. Belg., 1947, 56, 5-8, 238-250, https://doi.org/10.1002/bscb.19470560506
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Kafarov, Dorokhov, et al., 1987
Kafarov, V.V.; Dorokhov, I.N.; Vetokhin, V.N.; Volkov, L.P.,
Dokl. Phys. Chem., 1987, 298, 77. [all data]
Hierl, Henchman, et al., 1992
Hierl, P.M.; Henchman, M.J.; Paulson, J.F.,
Threshold Energies for the Reactions HO- + MeX - MeOH + X- measured by Tandem Mass Spectrometry: Acidities of MeCl and MeBr,
Int. J. Mass Spectrom. Ion Proc., 1992, 117, 475, https://doi.org/10.1016/0168-1176(92)80109-E
. [all data]
Ingemann and Nibbering, 1985
Ingemann, S.; Nibbering, N.M.M.,
Gas phase chemistry of alpha-thio carbanions,
Can. J. Chem., 1985, 62, 2273. [all data]
Rogers, Simpson, et al., 2010
Rogers, N.J.; Simpson, M.J.; Tuckett, R.P.; Dunn, K.F.; Latimer, C.J.,
Vacuum-UV negative photoion spectroscopy of CH3F, CH3Cl and CH3Br,
Phys. Chem. Chem. Phys., 2010, 12, 36, 10971-10980, https://doi.org/10.1039/c0cp00234h
. [all data]
Ingemann and Nibbering, 1985, 2
Ingemann, S.; Nibbering, N.M.M.,
Gas-phase acidity of CH3X [X = P(CH3)2, SCH3, F, Cl, Br, I] compounds,
J. Chem. Soc. Perkin Trans. 2, 1985, 837. [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 and Roberts, 1974
Dougherty, R.C.; Roberts, J.D.,
SN2 reactions in the gas phase. Nucleophilicity effects,
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Notes
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- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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