Salicylic acid
- Formula: C7H6O3
- Molecular weight: 138.1207
- IUPAC Standard InChI: InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
- IUPAC Standard InChIKey: YGSDEFSMJLZEOE-UHFFFAOYSA-N
- CAS Registry Number: 69-72-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Benzoic acid, 2-hydroxy-; o-Hydroxybenzoic acid; Phenol-2-carboxylic acid; Psoriacid-S-Stift; Retarder W; Rutranex; Salicylic acid collodion; Salonil; 2-Hydroxybenzoic acid; Acido salicilico; Keralyt; Kyselina 2-hydroxybenzoova; Kyselina salicylova; Orthohydroxybenzoic acid; Duoplant; Freezone; Ionil; Saligel; Compound W; 2-Hydroxybenzenecarboxylic acid; 2-Carboxyphenol; o-Carboxyphenol; Advanced pain relief callus removers; Advanced pain relief corn removers; Clear away wart remover; Dr. Scholl's Callus Removers; Dr. Scholl's Corn Removers; Dr. Scholl's Wart Remover Kit; Duofil Wart Remover; Ionil plus; Salicylic acid soap; Stri-Dex; Benzoic acid, o-hydroxy-; NSC 180; Trans-Ver-Sal; Domerine; Duofilm; Fostex; Pernox; Salicylic acid & Sulfur Soap; Sebucare; Sebulex; component of Fostex medicated bar and cream; component of Keralyt; Retarder SAX; component of Solarcaine first aid spray; component of Tinver; 7681-06-3; 8052-31-1; Salicyclic acid; Domerine (Salt/Mix); Duofilm (Salt/Mix); Fostex (Salt/Mix); Pernox (Salt/Mix); Salicylic acid & Sulfur Soap (Salt/Mix); Sebucare (Salt/Mix); Sebulex (Salt/Mix); component of Fostex medicated bar and cream (Salt/Mix); component of Keralyt (Salt/Mix); Retarder SAX (Salt/Mix); component of Solarcaine first aid spray (Salt/Mix); component of Tinver (Salt/Mix)
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References, Notes
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 |
|---|---|---|---|---|---|
| ΔfH°gas | -118.5 ± 0.33 | kcal/mol | Ccr | Sabbah and Le, 1993 | ALS |
| ΔfH°gas | -117.9 | kcal/mol | N/A | Colomina, Jimenez, et al., 1980 | Value 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 |
| ΔfH°gas | -116.9 | kcal/mol | N/A | Verkade, 1932 | Value computed using ΔfHsolid° value of -585.3 kj/mol from Verkade, 1932 and ΔsubH° value of 96.3 kj/mol from Verkade, 1932.; DRB |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), References, Notes
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -141.5 ± 0.31 | kcal/mol | Ccr | Sabbah and Le, 1993 | ALS |
| ΔfH°solid | -140.9 ± 0.26 | kcal/mol | Ccb | Colomina, Jimenez, et al., 1980 | ALS |
| ΔfH°solid | -139.9 | kcal/mol | Ccb | Verkade, 1932 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -723. ± 1. | kcal/mol | AVG | N/A | Average of 12 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 41.20 | cal/mol*K | N/A | Rabinovich, Sheiman, et al., 1986 | DH |
| S°solid,1 bar | 42.59 | cal/mol*K | N/A | Parks and Light, 1934 | Extrapolation below 90 K, 57.32 J/mol*K.; DH |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 38.46 | 298.15 | Rabinovich, Sheiman, et al., 1986 | T = 5 to 460 K.; DH |
| 24.90 | 293. | Campbell and Campbell, 1940 | DH |
| 38.10 | 288.6 | Parks and Light, 1934 | T = 96 to 289 K. Value is unsmoothed experimental datum.; DH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center, 2010 |
| NIST MS number | 375214 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Mass spectrum (electron ionization), Notes
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]
Rabinovich, Sheiman, et al., 1986
Rabinovich, I.B.; Sheiman, M.S.; Kamelova, G.P.; Nistratov, V.P.,
Heat capacity and thermodynamic functions of salicylic acid, 1986, Termodinam. [all data]
Parks and Light, 1934
Parks, G.S.; Light, D.W.,
Thermal data on organic compounds. XIII. The heat capacities and entropies of n-tetradecane and the hydroxybenzoic acids. The relative free energies of some benzenoid position isomers,
J. Am. Chem. Soc., 1934, 56, 1511-1513. [all data]
Campbell and Campbell, 1940
Campbell, A.N.; Campbell, A.J.R.,
The heats of solution, heats of formation,
specific heats and equilibrium diagrams of certain molecular compounds. J. Am. Chem. Soc., 1940, 62, 291-297. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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