Phenyl salicylate
- Formula: C13H10O3
- Molecular weight: 214.2167
- IUPAC Standard InChIKey: ZQBAKBUEJOMQEX-UHFFFAOYSA-N
- CAS Registry Number: 118-55-8
- 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-, phenyl ester; Salicylic acid, phenyl ester; Musol; Phenol salicylate; Phenyl 2-hydroxybenzoate; Salol; Salphenyl; 2-Phenoxycarbonylphenol; Fenylester kyseliny salicylove; Seesorb 201; Seesorb K 201; 2-Hydroxy-benzoic acid phenyl ester; NSC 33406
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔcH°solid | -1460.1 | kcal/mol | Ccb | Burriel, 1931 | Corresponding ΔfHºsolid = -104.1 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 314.8 ± 0.4 | K | AVG | N/A | Average of 6 values; Individual data points |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
446.2 | 0.016 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
16.7 | 438. | A,UV | Stephenson and Malanowski, 1987 | Based on data from 423. to 587. K. See also Schmitt and Hirt, 1960.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
26.08 | 294. | A | Stephenson and Malanowski, 1987 | Based on data from 279. to 315. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
4.59 | 315.1 | DSC | Lazerges, Rietveld, et al., 2010 | AC |
4.4 ± 0.1 | 312.7 | DSC | Perisanu, Contineanu, et al., 2006 | AC |
4.579 | 315. | N/A | Hanaya, Hikima, et al., 2002 | AC |
4.536 | 314.2 | DSC | Murthy, Paikaray, et al., 1995 | AC |
IR 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR 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
View image of digitized spectrum (can be printed in landscape orientation).
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 | Japan AIST/NIMC Database- Spectrum MS-NW- 679 |
NIST MS number | 229426 |
Gas Chromatography
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1702. | Perrigo, Peel, et al., 1985 | 15. m/0.32 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C |
Packed | SE-30 | 1650. | Perrigo and Peel, 1981 | N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 1650. | 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 | 1650. | 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 |
---|---|---|---|---|
Other | Methyl Silicone | 1655. | Ardrey and Moffat, 1981 | Program: not specified |
Other | Methyl Silicone | 1650. | Ardrey and Moffat, 1981 | Program: not specified |
Other | Methyl Silicone | 1660. | Ardrey and Moffat, 1981 | Program: not specified |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Burriel, 1931
Burriel, F.,
7. Estudio fisico-quimico de algunos compuestos organicos solidos a la temperatura ordinaria, que se proponen como patrones de temperatura,
An. R. Soc. Esp. Fis. Quim., 1931, 29, 89-125. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 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]
Schmitt and Hirt, 1960
Schmitt, Richard G.; Hirt, Robert C.,
Investigation of the protective ultraviolet absorbers in a space environment. I. Rate of evaporation and vapor pressure studies,
J. Polym. Sci., 1960, 45, 145, 35-47, https://doi.org/10.1002/pol.1960.1204514504
. [all data]
Lazerges, Rietveld, et al., 2010
Lazerges, Mathieu; Rietveld, Ivo B.; Corvis, Yohann; Céolin, René; Espeau, Philippe,
Thermodynamic studies of mixtures for topical anesthesia: Lidocaine--salol binary phase diagram,
Thermochimica Acta, 2010, 497, 1-2, 124-128, https://doi.org/10.1016/j.tca.2009.08.016
. [all data]
Perisanu, Contineanu, et al., 2006
Perisanu, Stefan; Contineanu, Iulia; Banciu, Mircea D.; Zhao, Hui; Rath, Nigam; Chickos, James,
The structure and thermochemistry of 3:4,5:6-dibenzo-2-hydroxymethylene-cyclohepta-3,5-dienenone (1) and some related compounds,
Struct Chem, 2006, 17, 6, 639-648, https://doi.org/10.1007/s11224-006-9111-4
. [all data]
Hanaya, Hikima, et al., 2002
Hanaya, Minoru; Hikima, Takaaki; Hatase, Minoru; Oguni, Masaharu,
Low-temperature adiabatic calorimetry of salol and benzophenone and microscopic observation of their crystallization: finding of homogeneous-nucleation-based crystallization,
The Journal of Chemical Thermodynamics, 2002, 34, 8, 1173-1193, https://doi.org/10.1006/jcht.2002.0976
. [all data]
Murthy, Paikaray, et al., 1995
Murthy, S.S.N.; Paikaray, A.; Arya, N.,
Molecular relaxation and excess entropy in liquids and their connection to the structure of glass,
J. Chem. Phys., 1995, 102, 20, 8213, https://doi.org/10.1063/1.469232
. [all data]
Perrigo, Peel, et al., 1985
Perrigo, B.J.; Peel, H.W.; Ballantyne, D.J.,
Use of Dual-Column Fused-Silica Capillary Gas Chromatography in Combination with Detector Response Factors for Analytical Toxicology.,
J. Chromatogr., 1985, 341, 81-88, https://doi.org/10.1016/S0378-4347(00)84011-6
. [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]
Peel and Perrigo, 1976
Peel, H.W.; Perrigo, B.,
A practical gas chromatographic screening procedure for toxicological analysis,
Can. Soc. Forens. Sci. J., 1976, 9, 2, 69-74, https://doi.org/10.1080/00085030.1976.10757247
. [all data]
Peel and Perrigo, 1975
Peel, H.W.; Perrigo, B.,
A practical gas chromatographic screening procedure for toxicological analysis,
Can.Soc.Forens.Sci.J., 1975, 9, 2, 69-74, https://doi.org/10.1080/00085030.1976.10757247
. [all data]
Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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