1-Butene, 4-bromo-
- Formula: C4H7Br
- Molecular weight: 135.002
- IUPAC Standard InChI: InChI=1S/C4H7Br/c1-2-3-4-5/h2H,1,3-4H2
- IUPAC Standard InChIKey: DMAYBPBPEUFIHJ-UHFFFAOYSA-N
- CAS Registry Number: 5162-44-7
- 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: 1-Bromo-3-butene; 3-Butenyl bromide; 4-Bromo-1-butene; 4-Bromobutene; 4-Bromobutene-(1); Homoallyl bromide; 4-bromobut-1-ene
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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 by: Robert L. Brown and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 371.7 | K | N/A | Weast and Grasselli, 1989 | |
| Tboil | 371.6 | K | N/A | Buckingham and Donaghy, 1982 |
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: C4H7Br = C4H7Br
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12. ± 0.59 | kJ/mol | Eqk | Shishinova, Levanova, et al., 1978 | gas phase; UV Irradiation |
| ΔrH° | 12. ± 0.59 | kJ/mol | Eqk | Shishinova, Levanova, et al., 1977 | gas phase |
Gas phase ion energetics 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.9 | EI | Tomer, Turk, et al., 1972 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C3H5+ | 12.6 | CH2Br | EI | Tomer, Turk, et al., 1972 | |
| C4H7+ | 10.6 | Br | EI | Tomer, Turk, et al., 1972 |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Shishinova, Levanova, et al., 1978
Shishinova, V.I.; Levanova, S.V.; Shevtsova, L.A.; Rozhnov, A.M.; Kudryavtsev, V.A.,
Thermodynamic functions of bromobutenes,
Russ. J. Phys. Chem. (Engl. Transl.), 1978, 52, 270-271. [all data]
Shishinova, Levanova, et al., 1977
Shishinova, V.I.; Levanova, S.V.; Shevtsova, L.A.; Rozhnov, A.M.; Kudryavtsev, V.A.,
Thermodynamic functions of bromobutenes,
Deposited Doc., 1977, 1-6. [all data]
Tomer, Turk, et al., 1972
Tomer, K.B.; Turk, J.; Shapiro, R.H.,
Anchimeric assistance in electron-impact reactions: Homoallylic systems,
Org. Mass Spectrom., 1972, 6, 235. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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