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
- 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 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.
Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, IR Spectrum, 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° | -122.5 ± 0.84 | kJ/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -123.1 ± 0.84 kJ/mol; At 355 °K |
=
By formula: C3H6Br2 = C3H6Br2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.7 ± 0.1 | kJ/mol | Eqk | Sharonov and Rozhnov, 1971 | liquid phase; Heat of isomerization |
=
+
By formula: C3H6Br2 = HBr + C3H5Br
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 63.6 | kJ/mol | Eqk | Levanova, Rodova, et al., 1983 | liquid phase; Flow reactor |
=
+
By formula: C3H6Br2 = HBr + C3H5Br
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 77.0 | kJ/mol | Eqk | Levanova, Rodova, et al., 1983 | liquid phase; Flow reactor |
2 =
+
By formula: 2C3H6BrCl = C3H6Br2 + C3H6Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.2 | kJ/mol | Eqk | Levanova, Rodova, et al., 1983 | liquid phase; Flow reactor |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, IR Spectrum, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.1 | PE | Kimura, Katsumata, et al., 1981 | |
| 10.38 | PE | Kimura, Katsumata, et al., 1981 | Vertical value |
IR Spectrum
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - 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.