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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
- NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
- NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)
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, Henry's Law data, Vibrational and/or electronic energy levels, Gas Chromatography, 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 |
---|---|---|---|---|---|
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
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Vibrational and/or electronic energy levels, Gas Chromatography, 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 |
---|---|---|---|---|---|
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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Vibrational and/or electronic energy levels, Gas Chromatography, 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
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)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Vibrational and/or electronic energy levels, Gas Chromatography, 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
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 |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, Gas Chromatography, 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
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)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.15 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.0044 | 360. | X | N/A | |
0.19 | L | N/A | Value at T = 293. K. | |
0.16 | 3100. | L | N/A | |
0.16 | V | N/A |
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 Chromatography, 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: 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 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Apiezon L | 130. | 429. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Packed | Apiezon L | 70. | 429. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 421. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-1 | 414. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | Polydimethyl siloxanes | 415. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | SPB-1 | 414. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 420. | Waggott and Davies, 1984 | Hydrogen; 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, 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.
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,
Org. Mass Spectrom., 1974, 8, 81. [all data]
Riveros, Breda, et al., 1973
Riveros, J.M.; Breda, A.C.; Blair, L.K.,
Formation and relative stability of chloride ion clusters in the gas phase by ICR spectroscopy,
J. Am. Chem. Soc., 1973, 95, 4066. [all data]
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]
Holm, 1981
Holm, T.,
J. Chem. Soc., Perkin Trans. II, 1981, 464.. [all data]
McMahon, Heinis, et al., 1988
McMahon, T.; Heinis, T.; Nicol, G.; Hovey, J.K.; Kebarle, P.,
Methyl Cation Affinities,
J. Am. Chem. Soc., 1988, 110, 23, 7591, https://doi.org/10.1021/ja00231a002
. [all data]
Foster, Williamson, et al., 1974
Foster, M.S.; Williamson, A.D.; Beauchamp, J.L.,
Photoionization mass spectrometry of trans-azomethane,
Int. J. Mass Spectrom. Ion Phys., 1974, 15, 429. [all data]
Van Duzor, Wei, et al., 2010
Van Duzor, M.; Wei, J.; Mbaiwa, F.; Mabbs, R.,
I-center dot CH3X (X=Cl, Br, I) photodetachment: The effect of electron-molecule interactions in cluster anion photodetachment spectra and angular distributions,
J. Chem. Phys., 2010, 133, 14, 144303, https://doi.org/10.1063/1.3487739
. [all data]
Cyr, Bishea, et al., 1992
Cyr, D.M.; Bishea, G.A.; Scarton, M.G.; Johnson, M.A.,
Observation of Charge-Transfer Excited States in the I-.CH3I, I-.CH3Br, and I-.CH2Br2 S(N)2 Reaction Intermediates Using Photofragmentation,
J. Chem. Phys., 1992, 97, 8, 5911, https://doi.org/10.1063/1.463752
. [all data]
Clarke and Price, 1968
Clarke, W.D.; Price, S.J.W.,
Can. J. Chem., 1968, 46, 1633. [all data]
Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J.,
Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]
Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds
in Academic Press, New York, 1970. [all data]
Meot-Ner, 1984
Meot-Ner, (Mautner)M.,
The Ionic Hydrogen Bond and Ion Solvation. 1. -NH+ O-, -NH+ N- and -OH+ O- Bonds. Correlations with Proton Affinity. Deviations Due to Structural Effects,
J. Am. Chem. Soc., 1984, 106, 5, 1257, https://doi.org/10.1021/ja00317a015
. [all data]
Hartley, Pritchard, et al., 1950
Hartley, K.; Pritchard, H.O.; Skinner, H.A.,
Thermochemistry of metallic alkyls. III.?mercury dimethyl and mercury methyl halides,
Trans. Faraday Soc., 1950, 46, 1019, https://doi.org/10.1039/tf9504601019
. [all data]
Pedley, Skinner, et al., 1957
Pedley, J.B.; Skinner, H.A.; Chernick, C.L.,
Thermochemistry of metallic alkyls. Part 8.?Tin tetramethyl, and hexamethyl distannane,
Trans. Faraday Soc., 1957, 53, 1612, https://doi.org/10.1039/tf9575301612
. [all data]
Connor, Zafarani-Moattar, et al., 1982
Connor, J.A.; Zafarani-Moattar, M.T.; Bickerton, J.; El-Saied, N.I.; Suradi, S.; Carson, R.; Al Takkhin, G.; Skinner, H.A.,
Organomet., 1982, 1, 1166. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [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]
Health Safety Executive, 2000
Health Safety Executive,
MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography
in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]
Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [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]
Strete, Ruprah, et al., 1992
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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Vibrational and/or electronic energy levels, Gas Chromatography, References
- 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 d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.