Methane, tribromo-
- Formula: CHBr3
- Molecular weight: 252.731
- IUPAC Standard InChI: InChI=1S/CHBr3/c2-1(3)4/h1H
- 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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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, 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 | 13.2 ± 0.79 | kcal/mol | Ccr | Papina, Kolesov, et al., 1982 |
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 | 2.2 ± 0.79 | kcal/mol | Ccr | Papina, Kolesov, et al., 1982 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -130.4 ± 0.79 | kcal/mol | Ccr | Papina, Kolesov, et al., 1982 | ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 31.19 | 298. | Kurbatov, 1948 | T = 9 to 147°C. Mean Cp, four temperatures.; DH |
| 32.29 | 298. | Trew, 1932 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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:
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° | -34.4 ± 2.0 | kcal/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 2.1 ± 0.1 kcal/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° | 349.7 ± 2.2 | kcal/mol | G+TS | Born, Ingemann, et al., 2000 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 342.0 ± 2.0 | kcal/mol | IMRE | Born, Ingemann, et al., 2000 | gas phase; B |
+
=
+
By formula: C2HBr3O + HNaO = CHNaO2 + CHBr3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -22.40 | kcal/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° | -1.7 ± 0.7 | kcal/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° | -70.9 ± 1.1 | kcal/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° | -72.30 ± 0.53 | kcal/mol | RSC | Calado, Dias, et al., 1980 | MS |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry 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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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