Salicylic acid
- Formula: C7H6O3
- Molecular weight: 138.1207
- 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
The 3d structure may be viewed using Java or Javascript. - 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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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
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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
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 |
Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 432. ± 1. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 22. ± 2. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
484.2 | 0.026 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
19.0 | 460. | A | Stephenson and Malanowski, 1987 | Based on data from 445. to 504. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
386.8 to 529. | 3.56806 | 1126.012 | -212.625 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
22.7 ± 0.1 | 333. | C | Sabbah and Le, 1993 | AC |
22.9 ± 0.2 | 315. | ME | Colomina, Jimenez, et al., 1980, 2 | Based on data from 307. to 324. K. See also Colomina, Jimenez, et al., 1981.; AC |
22.7 ± 0.1 | 322. | TE | De Kruif and Van Ginkel, 1977 | Based on data from 312. to 332. K.; AC |
22.3 ± 0.2 | 322. | ME | De Kruif and Van Ginkel, 1977 | Based on data from 312. to 332. K.; AC |
23.7 ± 0.5 | 313. | ME | Arshadi, 1974 | Based on data from 298. to 328. K.; AC |
22.7 ± 0.1 | 368. to 408. | N/A | Malaspina, 1973 | AC |
22.7 ± 0.1 | 368. to 408. | GS | Davies and Jones, 1954 | See also Cox and Pilcher, 1970 and Jones, 1960.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.8795 | 431.8 | N/A | Rabinovich, Sheiman, et al., 1986 | DH |
6.48 | 434.1 | DSC | Good and Rodriguez-Hornedo, 2009 | AC |
5.509 | 432.5 | DSC | Peña, Escalera, et al., 2009 | AC |
5.844 | 431.1 | N/A | Pinto, Diogo, et al., 2005 | See also Mota, Queimada, et al., 2008.; AC |
5.88 | 431.8 | N/A | Domalski and Hearing, 1996 | See also Sabbah and Le, 1993.; AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
13.6 | 431.8 | Rabinovich, Sheiman, et al., 1986 | DH |
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
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.
Individual Reactions
C7H5O3- + =
By formula: C7H5O3- + H+ = C7H6O3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 325.5 ± 2.2 | kcal/mol | G+TS | Kebarle and McMahon, 1977 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 317.8 ± 2.0 | kcal/mol | IMRE | Kebarle and McMahon, 1977 | gas phase; B |
By formula: C9H8O4 + H2O = C2H4O2 + C7H6O3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -6.50 ± 0.07 | kcal/mol | Cm | Nelander, 1964 | solid phase; Heat of hydrolysis; ALS |
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- + =
By formula: C7H5O3- + H+ = C7H6O3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 325.5 ± 2.2 | kcal/mol | G+TS | Kebarle and McMahon, 1977 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 317.8 ± 2.0 | kcal/mol | IMRE | Kebarle and McMahon, 1977 | gas phase |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- SOLID (0.5 mg / 200 mg KBr DISC) $$ COMMERCIAL PURITY; PERKIN-ELMER 21 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- SOLID (2 mg/300mg KBr PELLET) $$ SEE SPECTRUM NO. 2534 FOR A DIFFERENT PELLET SPECTRUM; Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLID (KBr PELLET) $$ SEE SPECTRUM NO. 2535 FOR A DIFFERENT PELLET SPECTRUM; PERKIN-ELMER; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLID (NUJOL MULL); BECKMAN IR-7 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, 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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Due to licensing restrictions, this spectrum cannot be downloaded.
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 |
UV/Visible spectrum
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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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
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Additional Data
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Download spectrum in JCAMP-DX format.
Source | Ernst and Menashi, 1963 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 237 |
Instrument | Unicam SP 500 |
Melting point | 158 |
Boiling point | 211(20) |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | BP-1 | 130. | 1277. | Japp, Gill, et al., 1987 | 25. m/0.22 mm/0.25 μm, N2 |
Capillary | DB-1 | 130. | 1266. | Japp, Gill, et al., 1987 | 30. m/0.53 mm/1.5 μm, N2 |
Capillary | BP-1 | 130. | 1296. | Japp, Gill, et al., 1987 | 25. m/0.53 mm/1. μm, N2 |
Packed | OV-1 | 200. | 1305. | Berninger and Möller, 1977 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5MS | 1326. | Todua, 2011 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
Packed | SE-30 | 1308. | Peng, Ding, et al., 1988 | He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m |
Packed | SE-30 | 1308. | Peng, Ding, et al., 1988 | He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m |
Packed | SE-30 | 1330. | Perrigo and Peel, 1981 | N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1295.8 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1311. | Jerkovic and Marijanovic, 2010 | 30. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min |
Capillary | SE-30 | 1291. | Shakirov, Tsypysheva, et al., 1988 | 4. K/min; Column length: 20. m; Column diameter: 0.2 mm; Tstart: 100. C; Tend: 230. C |
Capillary | DB-1 | 1263. | Sharp, 1987 | 15. m/0.25 mm/0.25 μm, He, 130. C @ 1. min, 10. K/min, 290. C @ 10. min |
Packed | SE-30 | 1330. | Peel and Perrigo, 1976 | Nitrogen, Chromosorb W AW DMS (80-100 mesh), 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 2. m |
Packed | SE-30 | 1330. | Peel and Perrigo, 1975 | N2, Chromosorb W AW DMS, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 2. m |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | 1294. | Brandi, Bar, et al., 2011 | Program: not specified | |
Capillary | HP-5MS | 1342. | Alissandrakis, Kibaris, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min) |
Other | Methyl Silicone | 1308. | Ardrey and Moffat, 1981 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Colomina, Jimenez, et al., 1980, 2
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C.,
Thermochemical properties of o-, m-, and p-hydroxybenzoic acids,
J. Therm Anal. Calorim., 1980, 11, 3-19-1/3-19-6. [all data]
Colomina, Jimenez, et al., 1981
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C.,
Propiedades Termoquimicas de derivados del acido benzoico. IX. Entalpias de combustion y formacion de los acidos o-, m-, y p-hidroxibenzoicos,
An. Quim., 1981, 77, 114. [all data]
De Kruif and Van Ginkel, 1977
De Kruif, C.G.; Van Ginkel, C.H.D.,
Torsion-weighing effusion vapour-pressure measurements on organic compounds,
The Journal of Chemical Thermodynamics, 1977, 9, 8, 725-730, https://doi.org/10.1016/0021-9614(77)90015-5
. [all data]
Arshadi, 1974
Arshadi, Mohammed R.,
Determination of heats of sublimation of organic compounds by a mass spectrometric--knudsen effusion method,
J. Chem. Soc., Faraday Trans. 1, 1974, 70, 0, 1569, https://doi.org/10.1039/f19747001569
. [all data]
Malaspina, 1973
Malaspina, L.,
Microcalorimetric determination of the enthalpy of sublimation of benzoic acid and anthracene,
J. Chem. Phys., 1973, 59, 1, 387, https://doi.org/10.1063/1.1679817
. [all data]
Davies and Jones, 1954
Davies, M.; Jones, J.I.,
The sublimation pressures and heats of sublimation of some carboxylic acids,
Trans. Faraday Soc., 1954, 50, 1042. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]
Jones, 1960
Jones, A.H.,
Sublimation Pressure Data for Organic Compounds.,
J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019
. [all data]
Good and Rodriguez-Hornedo, 2009
Good, David J.; Rodriguez-Hornedo, Nair,
Solubility Advantage of Pharmaceutical Cocrystals,
Crystal Growth & Design, 2009, 9, 5, 2252-2264, https://doi.org/10.1021/cg801039j
. [all data]
Peña, Escalera, et al., 2009
Peña, M.A.; Escalera, B.; Reíllo, A.; Sánchez, A.B.; Bustamante, P.,
Thermodynamics of cosolvent action: Phenacetin, salicylic acid and probenecid,
J. Pharm. Sci., 2009, 98, 3, 1129-1135, https://doi.org/10.1002/jps.21497
. [all data]
Pinto, Diogo, et al., 2005
Pinto, Susana S.; Diogo, Hermínio P.; Guedes, Rita C.; Costa Cabral, Benedito J.; Minas da Piedade, Manuel E.; Martinho Simões, José A.,
Energetics of Hydroxybenzoic Acids and of the Corresponding Carboxyphenoxyl Radicals. Intramolecular Hydrogen Bonding in 2-Hydroxybenzoic Acid,
J. Phys. Chem. A, 2005, 109, 42, 9700-9708, https://doi.org/10.1021/jp054220g
. [all data]
Mota, Queimada, et al., 2008
Mota, Fatima L.; Queimada, Antonio J.; Pinho, Simao P.; Macedo, Eugenia A.,
Aqueous Solubility of Some Natural Phenolic Compounds,
Ind. Eng. Chem. Res., 2008, 47, 15, 5182-5189, https://doi.org/10.1021/ie071452o
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [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]
Nelander, 1964
Nelander, L.,
The heats of hydrolysis of aspirin, thioaspirin, and their p-analogues,
Acta Chem. Scand., 1964, 18, 973-984. [all data]
Ernst and Menashi, 1963
Ernst, Z.L.; Menashi, J.,
The spectrophotometric determination of the dissociation constants of some substituted salicylic acids,
Trans. Faraday Soc., 1963, 59, 230-240. [all data]
Japp, Gill, et al., 1987
Japp, M.; Gill, R.; Osselton, M.D.,
Comparison of drug retention indices determined on packed, wide bore capillary and narrow bore capillary columns,
J. Forensic Sci., 1987, 32, 6, 1574-1586. [all data]
Berninger and Möller, 1977
Berninger, H.; Möller, M.R.,
Retentionsindices zur gaschromatographischen Identifizierung von Arzneimitteln,
Arch. Toxicol., 1977, 37, 4, 295-305, https://doi.org/10.1007/BF00330821
. [all data]
Todua, 2011
Todua, N.G.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]
Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C.,
Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns,
J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8
. [all data]
Perrigo and Peel, 1981
Perrigo, B.J.; Peel, H.W.,
The use of retention indices and temperature-programmed gas chromatography in analytical toxicology,
J. Chromatogr. Sci., 1981, 19, 5, 219-226, https://doi.org/10.1093/chromsci/19.5.219
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Jerkovic and Marijanovic, 2010
Jerkovic, I.; Marijanovic, Z.,
Oak (Quercus frainetto Ten.) honeydaw honey - approach to screening of volatile organic composition and antioxidant capacity (DPPH and FRAP assay),
Molecules, 2010, 15, 5, 3744-3756, https://doi.org/10.3390/molecules15053744
. [all data]
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Notes
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- 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) Tboil Boiling point Tfus Fusion (melting) point 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 ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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