Salicylic acid

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Gas phase 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas-118.5 ± 0.33kcal/molCcrSabbah and Le, 1993ALS
Δfgas-117.9kcal/molN/AColomina, Jimenez, et al., 1980Value computed using ΔfHsolid° value of -589.7±1.1 kj/mol from Colomina, Jimenez, et al., 1980 and ΔsubH° value of 96.3 kj/mol from Colomina, Jimenez, et al., 1980.; DRB
Δfgas-116.9kcal/molN/AVerkade, 1932Value computed using ΔfHsolid° value of -585.3 kj/mol from Verkade, 1932 and ΔsubH° value of 96.3 kj/mol from Verkade, 1932.; DRB

Gas phase ion energetics 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 by: John E. Bartmess

View reactions leading to C7H6O3+ (ion structure unspecified)

De-protonation reactions

C7H5O3- + Hydrogen cation = Salicylic acid

By formula: C7H5O3- + H+ = C7H6O3

Quantity Value Units Method Reference Comment
Δr325.5 ± 2.2kcal/molG+TSKebarle and McMahon, 1977gas phase
Quantity Value Units Method Reference Comment
Δr317.8 ± 2.0kcal/molIMREKebarle and McMahon, 1977gas phase

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Sabbah and Le, 1993
Sabbah, R.; Le, T.H.D., Etude thermodynamique des trois isomeres de l'acide bydroxybenzolque, Can. J. Chem., 1993, 71, 1378-1383. [all data]

Colomina, Jimenez, et al., 1980
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C., Thermochemical properties of o-, m- and p-hydroxybenzoic acids, J. Calorim. Anal. Therm., 1980, 11, 1-6. [all data]

Verkade, 1932
Verkade, P.-E., L'acide salicylique comme substance-etalon secondaire de calorimetrie, J. Chim. Phys., 1932, 29, 297-301. [all data]

Kebarle and McMahon, 1977
Kebarle, P.; McMahon, T.B., Intrinsic Acidities of Substituted Phenols and Benzoic Acids Determined by Gas Phase Proton Transfer Equilibria, J. Am. Chem. Soc., 1977, 99, 7, 2222, https://doi.org/10.1021/ja00449a032 . [all data]


Notes

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