- Formula: C6H12O2
- Molecular weight: 116.1583
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: FUZZWVXGSFPDMH-UHFFFAOYSA-N
- CAS Registry Number: 142-62-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Caproic acid; n-Caproic acid; n-Hexanoic acid; n-Hexoic acid; n-Hexylic acid; Butylacetic acid; Capronic acid; Hexoic acid; Pentiformic acid; Pentylformic acid; 1-Pentanecarboxylic acid; CH3(CH2)4COOH; Pentane-1-carboxylic acid; 1-Hexanoic acid; Hexacid 698; Kyselina kapronova; Pentanecarboxylic acid; NSC 8266
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Reaction thermochemistry data
Go To: Top, References, Notes
Data compiled by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
C6H11O2- + =
By formula: C6H11O2- + H+ = C6H12O2
|rH°||1448. ± 8.8||kJ/mol||G+TS||Caldwell, Renneboog, et al., 1989||gas phase|
|rH°||1447. ± 10.||kJ/mol||G+TS||McLuckey, Cameron, et al., 1981||gas phase|
|rG°||1419. ± 8.4||kJ/mol||IMRE||Caldwell, Renneboog, et al., 1989||gas phase|
|rG°||1418. ± 9.6||kJ/mol||CIDC||McLuckey, Cameron, et al., 1981||gas phase|
Go To: Top, Reaction thermochemistry data, Notes
Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P., Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria, Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092 . [all data]
McLuckey, Cameron, et al., 1981
McLuckey, S.A.; Cameron, D.; Cooks, R.G., Proton affinities from the dissociation of proton bound dimers, J. Am. Chem. Soc., 1981, 103, 1313. [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
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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