Acetic acid, trifluoro-, ethyl ester
- Formula: C4H5F3O2
- Molecular weight: 142.0765
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: STSCVKRWJPWALQ-UHFFFAOYSA-N
- CAS Registry Number: 383-63-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Ethyl trifluoroacetate; Trifluoroacetic acid, ethyl ester; CF3COOC2H5; Ethyl trifluoroethanoate; Ethyl ester of Trifluoroacetic acid
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Ion clustering data
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Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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CH6N+ + = (CH6N+ )
By formula: CH6N+ + C4H5F3O2 = (CH6N+ C4H5F3O2)
Bond type: Hydrogen bonds of the type NH+-O between organics
|rH°||21.4||kcal/mol||PHPMS||Meot-Ner, 1984||gas phase; Entropy change calculated or estimated|
|rS°||26.||cal/mol*K||N/A||Meot-Ner, 1984||gas phase; Entropy change calculated or estimated|
Free energy of reaction
|rG° (kcal/mol)||T (K)||Method||Reference||Comment|
|9.4||450.||PHPMS||Meot-Ner, 1984||gas phase; Entropy change calculated or estimated|
Go To: Top, Ion clustering data, Notes
Meot-Ner, (Mautner)M., The Ionic Hydrogen Bond and Ion Solvation. 1. -NH+ O-, -NH+ N- and -OH+ O- Bonds. Correlations with Proton Affinity. Deviations Due to Structural Effects, J. Am. Chem. Soc., 1984, 106, 5, 1257, https://doi.org/10.1021/ja00317a015 . [all data]
Go To: Top, Ion clustering data, References
- Symbols used in this document:
T Temperature 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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