Formic acid, butyl ester
- Formula: C5H10O2
- Molecular weight: 102.1317
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: NMJJFJNHVMGPGM-UHFFFAOYSA-N
- CAS Registry Number: 592-84-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: n-Butyl formate; Butyl formate; HCOO(CH2)3CH3; n-Butyl methanoate; Butyl methanoate; Butylester kyseliny mravenci; UN 1128
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Reaction thermochemistry data
Go To: Top, References, Notes
Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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CH6N+ + = (CH6N+ )
By formula: CH6N+ + C5H10O2 = (CH6N+ C5H10O2)
Bond type: Hydrogen bonds of the type NH+-O between organics
|rH°||24.5||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|
|12.5||461.||PHPMS||Meot-Ner, 1984||gas phase; Entropy change calculated or estimated|
Go To: Top, Reaction thermochemistry 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, Reaction thermochemistry 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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