Methane, tribromo-
- Formula: CHBr3
- Molecular weight: 252.731
- IUPAC Standard InChIKey: DIKBFYAXUHHXCS-UHFFFAOYSA-N
- CAS Registry Number: 75-25-2
- 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: Bromoform; Methenyl tribromide; Tribromomethane; CHBr3; Bromoforme; Bromoformio; NCI-C55130; Tribrommethaan; Tribrommethan; Tribromometan; Rcra waste number U225; UN 2515; NSC 8019
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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 | 9.4 ± 3.3 | kJ/mol | Ccr | Papina, Kolesov, et al., 1982 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -545.8 ± 3.3 | kJ/mol | Ccr | Papina, Kolesov, et al., 1982 | ALS |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
130.5 | 298. | Kurbatov, 1948 | T = 9 to 147°C. Mean Cp, four temperatures.; DH |
135.1 | 298. | Trew, 1932 | 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
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 422. ± 2. | K | AVG | N/A | Average of 13 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 279. ± 10. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 281.84 | K | N/A | Golovanova and Kolesov, 1984 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 46.06 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 46.05 ± 0.10 | kJ/mol | C | Laynez and Wadso, 1972 | ALS |
ΔvapH° | 46.1 ± 0.1 | kJ/mol | C | Laynez, Wadsö, et al., 1972 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
39.66 | 422.3 | N/A | Majer and Svoboda, 1985 | |
42.3 | 335. | EB | Boublík and Aim, 1972 | Based on data from 320. to 412. K. See also Kudchadker, Kudchadker, et al., 1979.; AC |
44.0 | 318. | N/A | Kireev and Sitnikov, 1941 | Based on data from 303. to 373. K. See also Boublik, Fried, et al., 1984.; AC |
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 |
---|---|---|---|---|---|
303. to 374.0 | 3.91541 | 1363.237 | -73.148 | Simnikov, 1941 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.046 | 281.84 | Golovanova and Kolesov, 1984, 2 | DH |
11.09 | 281.5 | Kafarov, Dorokhov, et al., 1987 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
39.2 | 281.84 | Golovanova and Kolesov, 1984, 2 | 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:
MS - José A. Martinho Simões
B - John E. Bartmess
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
C8H6MoO3 (solution) + (solution) = (solution) + (solution)
By formula: C8H6MoO3 (solution) + CBr4 (solution) = C8H5BrMoO3 (solution) + CHBr3 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -143.9 ± 8.4 | kJ/mol | RSC | Nolan, López de la Vega, et al., 1986 | solvent: Tetrahydrofuran; The enthalpy of solution of Mo(Cp)(CO)3(H)(cr) was measured as 8.8 ± 0.4 kJ/mol Nolan, López de la Vega, et al., 1986, 2. Reaction temperature: 323 K; MS |
CBr3- + =
By formula: CBr3- + H+ = CHBr3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1463. ± 9.2 | kJ/mol | G+TS | Born, Ingemann, et al., 2000 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1431. ± 8.4 | kJ/mol | IMRE | Born, Ingemann, et al., 2000 | gas phase; B |
By formula: C2HBr3O + HNaO = CHNaO2 + CHBr3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -93.72 | kJ/mol | Cm | Pritchard and Skinner, 1950 | liquid phase; Heat of hydrolysis; ALS |
By formula: CHBr3 + Br2 = HBr + CBr4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -7. ± 3. | kJ/mol | Eqk | King, Golden, et al., 1971 | gas phase; ALS |
C10H12Mo (cr) + 2 (cr) = C10H10Br2Mo (cr) + 2 (l)
By formula: C10H12Mo (cr) + 2CBr4 (cr) = C10H10Br2Mo (cr) + 2CHBr3 (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -296.5 ± 4.5 | kJ/mol | RSC | Calado, Dias, et al., 1980 | MS |
C10H12W (cr) + 2 (cr) = C10H10Br2W (cr) + 2 (l)
By formula: C10H12W (cr) + 2CBr4 (cr) = C10H10Br2W (cr) + 2CHBr3 (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -302.5 ± 2.2 | kJ/mol | RSC | Calado, Dias, et al., 1980 | MS |
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) = 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 |
---|---|---|---|
1.7 | 5200. | L | N/A |
1.4 | 5000. | M | N/A |
1.9 | 4300. | X | N/A |
2.3 | 5700. | M | N/A |
2.0 | 5200. | X | N/A |
1.9 | 4700. | X | N/A |
2.3 | M | Nicholson, Maguire, et al., 1984 | |
1.7 | C | Nicholson, Maguire, et al., 1984 | |
1.8 | 2700. | X | N/A |
1.6 | L | N/A | |
1.5 | V | N/A |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Papina, Kolesov, et al., 1982
Papina, T.S.; Kolesov, V.P.; Golovanova, Yu.G.,
The standard enthalpy of formation of bromoform,
Russ. J. Phys. Chem. (Engl. Transl.), 1982, 56, 1666-1668. [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]
Trew, 1932
Trew, V.C.G.,
Physical properties of mixtures of acetone and bromoform,
Trans. Faraday Soc., 1932, 28, 509-514. [all data]
Golovanova and Kolesov, 1984
Golovanova, Y.G.; Kolesov, V.P.,
Enthalpies of melting, melting temperatures, and cryoscopic constants of some haloorganic compounds,
Vestn. Mosk. Univ., Ser. 2: Khim., 1984, 25, 244. [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]
Laynez and Wadso, 1972
Laynez, J.; Wadso, I.,
Enthalpies of vaporization of organic compounds. IX. Some halogen substituted hydrocarbons and esters,
Acta Chem. Scand., 1972, 26, 3148. [all data]
Laynez, Wadsö, et al., 1972
Laynez, José; Wadsö, Ingemar; Haug, Arne; Songstad, J.; Pilotti, Åke,
Enthalpies of Vaporization of Organic Compounds. IX. Some Halogen Substituted Hydrocarbons and Esters.,
Acta Chem. Scand., 1972, 26, 3148-3152, https://doi.org/10.3891/acta.chem.scand.26-3148
. [all data]
Boublík and Aim, 1972
Boublík, T.; Aim, K.,
Heats of vaporization of simple non-spherical molecule compounds,
Collect. Czech. Chem. Commun., 1972, 37, 11, 3513-3521, https://doi.org/10.1135/cccc19723513
. [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]
Kireev and Sitnikov, 1941
Kireev, V.A.; Sitnikov, I.P.,
Russ. J. Appl. Chem., 1941, 14, 483. [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]
Simnikov, 1941
Simnikov, I.P.,
Increase of Enthalpy During Formation of Azeotropic Mixtures,
Zh. Obshch. Khim., 1941, 14, 483-492. [all data]
Golovanova and Kolesov, 1984, 2
Golovanova, Yu.G.; Kolesov, V.P.,
Enthalpies of melting, melting temperatures, and cryoscopic constants of some haloorganic compounds, Vestn. Mosk Univ.,
Ser. 2: Khim., 1984, 25(3), 244-248. [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]
Nolan, López de la Vega, et al., 1986
Nolan, S.P.; López de la Vega, R.; Hoff, C.D.,
J. Organometal. Chem., 1986, 315, 187. [all data]
Nolan, López de la Vega, et al., 1986, 2
Nolan, S.P.; López de la Vega, R.; Hoff, C.D.,
Organometallics, 1986, 5, 2529. [all data]
Born, Ingemann, et al., 2000
Born, M.; Ingemann, S.; Nibbering, N.M.M.,
Thermochemical properties of halogen-substituted methanes, methyl radicals, and carbenes in the gas phase,
Int. J. Mass Spectrom., 2000, 194, 2-3, 103-113, https://doi.org/10.1016/S1387-3806(99)00125-6
. [all data]
Pritchard and Skinner, 1950
Pritchard, H.O.; Skinner, H.A.,
The heats of hydrolysis of chloral and bromal, and the C-C bond dissociation energies in chloral and bromal,
J. Am. Chem. Soc., 1950, 1928-1931. [all data]
King, Golden, et al., 1971
King, K.D.; Golden, D.M.; Benson, S.W.,
Kinetics and thermochemistry of the gas-phase bromination of bromoform. The C-H bond dissociation energy in CHBr3 and the C-Br bond dissociation energy in CBr4,
J. Phys. Chem., 1971, 75, 987-989. [all data]
Calado, Dias, et al., 1980
Calado, J.C.G.; Dias, A.R.; Martinho Simões, J.A.,
J. Organometal. Chem., 1980, 195, 203. [all data]
Nicholson, Maguire, et al., 1984
Nicholson, B.C.; Maguire, B.P.; Bursill, D.B.,
Henry's Law Constants for the Trihalomethanes: Effects of Water Composition and Temperature,
Environ. Sci. Technol., 1984, 18, 518-521. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Tboil Boiling point Tfus Fusion (melting) 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 ΔcH°liquid Enthalpy of combustion of liquid 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 ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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