- Formula: C3H7Br
- Molecular weight: 122.992
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: CYNYIHKIEHGYOZ-UHFFFAOYSA-N
- CAS Registry Number: 106-94-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: n-Propyl bromide; Propyl bromide; 1-Bromopropane; n-C3H7Br; UN 2344
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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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
+ = ( )
By formula: Br- + C3H7Br = (Br- C3H7Br)
|rH°||48.53||kJ/mol||TDAs||Dougherty, 1974||gas phase; B,M|
|rS°||82.8||J/mol*K||HPMS||Dougherty, 1974||gas phase; M|
|rG°||23.8||kJ/mol||TDAs||Dougherty, 1974||gas phase; B|
+ = ( )
By formula: Cl- + C3H7Br = (Cl- C3H7Br)
|rH°||59.4 ± 4.2||kJ/mol||TDAs||Li, Ross, et al., 1996||gas phase; B|
|rG°||34.5 ± 0.84||kJ/mol||TDAs||Li, Ross, et al., 1996||gas phase; B|
Go To: Top, Ion clustering data, Notes
Dougherty, R.C., SN2 reactions in the gas phase. Alkyl group structural effects, Org. Mass Spectrom., 1974, 8, 85. [all data]
Li, Ross, et al., 1996
Li, C.; Ross, P.; Szulejko, J.; McMahon, T.B., High-Pressure Mass Spectrometric Investigations of the Potential Energy Surfaces of Gas-Phase Sn2 Reactions., J. Am. Chem. Soc., 1996, 118, 39, 9360, https://doi.org/10.1021/ja960565o . [all data]
Go To: Top, Ion clustering 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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