- Formula: C5H10O2
- Molecular weight: 102.1317
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
- CAS Registry Number: 109-52-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Valeric acid; n-Pentanoic acid; n-Valeric acid; Propylacetic acid; Valerianic acid; 1-Butanecarboxylic acid; n-C4H9COOH; Butanecarboxylic acid; Kyselina valerova; Valeric acid, normal; 1-Pentanoic acid; NSC 406833; Valeric acid, n-; NA 1760
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Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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C5H9O2- + =
By formula: C5H9O2- + H+ = C5H10O2
|rH°||346.2 ± 2.1||kcal/mol||G+TS||Caldwell, Renneboog, et al., 1989||gas phase; B|
|rH°||346.1 ± 2.4||kcal/mol||G+TS||McLuckey, Cameron, et al., 1981||gas phase; B|
|rG°||339.2 ± 2.0||kcal/mol||IMRE||Caldwell, Renneboog, et al., 1989||gas phase; B|
|rG°||339.1 ± 2.3||kcal/mol||CIDC||McLuckey, Cameron, et al., 1981||gas phase; B|
2 + =
By formula: 2H2 + C5H6O2 = C5H10O2
|rH°||-65.8 ± 1.2||kcal/mol||Chyd||Flitcroft and Skinner, 1958||liquid phase; ALS|
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]
Flitcroft and Skinner, 1958
Flitcroft, T.L.; Skinner, H.A., Heats of hydrogenation Part 2.-Acetylene derivatives, Trans. Faraday Soc., 1958, 54, 47-53. [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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