Propane, 1,2-dibromo-2-methyl-
- Formula: C4H8Br2
- Molecular weight: 215.914
- IUPAC Standard InChIKey: SDTXSEXYPROZSZ-UHFFFAOYSA-N
- CAS Registry Number: 594-34-3
- 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. - Other names: Isobutylene bromide; 1,2-Dibromo-2-methylpropane; 1,2-Dibromoisobutane
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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 | -27.08 ± 0.25 | kcal/mol | Cm | Sunner and Wulff, 1974 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -27.30 ± 0.26 kcal/mol |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -35.98 | kcal/mol | Eqk | Rozhnov, Nesterova, et al., 1975 | Gas phase isomerization |
ΔfH°liquid | -37.44 ± 0.25 | kcal/mol | Cm | Sunner and Wulff, 1974 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -37.66 ± 0.26 kcal/mol |
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 423.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 423.2 | K | N/A | Majer and Svoboda, 1985 | |
Tboil | 422.15 | K | N/A | Timmermans, 1921 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 203.05 | K | N/A | Timmermans, 1921 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tfus | 202.85 | K | N/A | Timmermans, 1921 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10.37 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 10.36 ± 0.03 | kcal/mol | C | Sunner and Wulff, 1974 | ALS |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
422.2 | 1.00 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.96 | 259. | A | Stephenson and Malanowski, 1987 | Based on data from 244. to 422. K. See also Stull, 1947.; AC |
8.728 | 423.2 | N/A | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
244.4 to 422. | 3.305 | 1264.121 | -39.921 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
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 by: 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
By formula: C4H8Br2 = C4H8Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.10 ± 0.06 | kcal/mol | Eqk | Rozhnov, Nesterova, et al., 1975 | liquid phase; Gas phase isomerization |
By formula: C4H8Br2 = HBr + C4H7Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.0 | kcal/mol | Cm | Levanova, Rozhnov, et al., 1975 | gas phase; Dehydrohalogenation |
By formula: C4H8Br2 = C4H8 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33.40 ± 0.11 | kcal/mol | Cm | Sunner and Wulff, 1974 | liquid phase |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.
Sunner and Wulff, 1974
Sunner, S.; Wulff, C.A.,
The enthalpy of formation of 1,1-dibromo-2-methylpropane,
J. Chem. Thermodyn., 1974, 6, 287-292. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Rozhnov, Nesterova, et al., 1975
Rozhnov, A.M.; Nesterova, T.N.; Mukovnina, G.S.,
Equilibrium in the isomerisation of dibromoalkanes. II. Isomerisation of dibromoisobutanes,
Russ. J. Phys. Chem. (Engl. Transl.), 1975, 49, 1675-1676. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]
Timmermans, 1921
Timmermans, J.,
The Freezing Points of Organic Substances IV. New Exp. Determinations,
Bull. Soc. Chim. Belg., 1921, 30, 62. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Levanova, Rozhnov, et al., 1975
Levanova, S.V.; Rozhnov, A.M.; Plaksina, T.V.; Anisimova, Z.I.,
Dehydrohalogenation of some dihalo derivatives of isobutane,
Russ. J. Phys. Chem. (Engl. Transl.), 1975, 49, 1440-1441. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid 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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