- 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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Ion clustering 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
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+ = ( )
By formula: Br- + C4H9Br = (Br- C4H9Br)
|rH°||12.90||kcal/mol||TDAs||Dougherty, 1974||gas phase; B,M|
|rS°||21.8||cal/mol*K||HPMS||Dougherty, 1974||gas phase; M|
|rG°||6.40||kcal/mol||TDAs||Dougherty, 1974||gas phase; B|
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Dougherty, R.C., SN2 reactions in the gas phase. Alkyl group structural effects, Org. Mass Spectrom., 1974, 8, 85. [all data]
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- 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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