Propane, 1,2-dibromo-
- Formula: C3H6Br2
- Molecular weight: 201.888
- IUPAC Standard InChI: InChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3
- IUPAC Standard InChIKey: XFNJYAKDBJUJAJ-UHFFFAOYSA-N
- CAS Registry Number: 78-75-1
- 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: Propylene dibromide; 1,2-Dibromopropane; CH2BrCHBrCH3; .+/-.-1,2-Dibromopropane
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Reaction thermochemistry data
Go To: Top, Henry's Law 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
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: C3H6 + Br2 = C3H6Br2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -29.27 ± 0.20 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.41 ± 0.20 kcal/mol; At 355 °K |
=
By formula: C3H6Br2 = C3H6Br2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1.13 ± 0.03 | kcal/mol | Eqk | Sharonov and Rozhnov, 1971 | liquid phase; Heat of isomerization |
=
+
By formula: C3H6Br2 = HBr + C3H5Br
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.2 | kcal/mol | Eqk | Levanova, Rodova, et al., 1983 | liquid phase; Flow reactor |
=
+
By formula: C3H6Br2 = HBr + C3H5Br
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 18.4 | kcal/mol | Eqk | Levanova, Rodova, et al., 1983 | liquid phase; Flow reactor |
2 =
+
By formula: 2C3H6BrCl = C3H6Br2 + C3H6Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.2 | kcal/mol | Eqk | Levanova, Rodova, et al., 1983 | liquid phase; Flow reactor |
Henry's Law data
Go To: Top, 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: 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 |
|---|---|---|---|---|
| 0.67 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
| 1.1 | V | N/A |
References
Go To: Top, 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.
Conn, Kistiakowsky, et al., 1938
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A.,
Heats of organic reactions. VII. Addition of halogens to olefins,
J. Am. Chem. Soc., 1938, 60, 2764-2771. [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]
Sharonov and Rozhnov, 1971
Sharonov, K.G.; Rozhnov, A.M.,
Equilibrium of the isomerization of 1,2-dibromopropane into 1,3-dibromopropane,
J. Org. Chem. USSR (Engl. Transl.), 1971, 10, 2101-2103. [all data]
Levanova, Rodova, et al., 1983
Levanova, S.V.; Rodova, R.M.; Tereshkina, T.P.; Zabrodina, T.I.,
Thermocatalytic reactions of bromochloropropanes,
Russ. J. Phys. Chem. (Engl. Transl.), 1983, 57, 1142-1146. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Henry's Law data, References
- Symbols used in this document:
d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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