- Formula: C4H9Br
- Molecular weight: 137.018
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: HLVFKOKELQSXIQ-UHFFFAOYSA-N
- CAS Registry Number: 78-77-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Isobutyl bromide; 1-Bromo-2-methylpropane; iso-C4H9Br; i-Butyl bromide; UN 2342
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Reaction thermochemistry data
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Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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+ = ( )
By formula: Br- + C4H9Br = (Br- C4H9Br)
|rH°||53.97||kJ/mol||TDAs||Dougherty, 1974||gas phase; B,M|
|rS°||91.2||J/mol*K||HPMS||Dougherty, 1974||gas phase; M|
|rG°||26.8||kJ/mol||TDAs||Dougherty, 1974||gas phase; B|
By formula: C4H9Br = C4H9Br
|rH°||19.0||kJ/mol||Eqk||Nesterova and Rozhnov, 1974||gas phase; ALS|
Go To: Top, Reaction thermochemistry data, Notes
Dougherty, R.C., SN2 reactions in the gas phase. Alkyl group structural effects, Org. Mass Spectrom., 1974, 8, 85. [all data]
Nesterova and Rozhnov, 1974
Nesterova, T.N.; Rozhnov, A.M., Isomerization of isostructural monobromobutanes, Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1974, 17, 556-558. [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions rS° Entropy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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