Aspirin

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Phase change data

Go To: Top, Reaction thermochemistry data, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus405. ± 10.KAVGN/AAverage of 103 out of 110 values; Individual data points

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
29.17409.2DSCXu, Sun, et al., 2004AC
31.01412.7DSCPerlovich and Bauer-Brandl, 2001See also Perlovich and Bauer-Brandl, 2003.; AC
29.8414.N/AKirklin, 2000AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Phase change data, 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 by: 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

Aspirin + Water = Acetic acid + Salicylic acid

By formula: C9H8O4 + H2O = C2H4O2 + C7H6O3

Quantity Value Units Method Reference Comment
Δr-27.2 ± 0.3kJ/molCmNelander, 1964solid phase; Heat of hydrolysis

Mass spectrum (electron ionization)

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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

Spectrum

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Mass 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 Virginia Division of Forensic Science
NIST MS number 250572

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UV/Visible spectrum

Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Lang (editor), 1962
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. 19697
Instrument Unicam SP 500
Melting point 135

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-1130.1270.Japp, Gill, et al., 198730. m/0.53 mm/1.5 μm, N2
PackedOV-1150.1315.Berninger and Möller, 1977 

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxanes1309.Schutz and Wollrab A., 1988Program: not specified
OtherMethyl Silicone1309.Ardrey and Moffat, 1981Program: not specified

References

Go To: Top, Phase change data, Reaction thermochemistry data, 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.

Xu, Sun, et al., 2004
Xu, F.; Sun, L.-X.; Tan, Z.-C.; Liang, J.-G.; Zhou, D.-H.; Di, Y.-Y.; Lan, X.Z.; Zhang, T., Wuji Huaxue Xuebao, 2004, 20, 1, 50. [all data]

Perlovich and Bauer-Brandl, 2001
Perlovich, G.L.; Bauer-Brandl, A., Organometallics, 2001, 63, 3, 653-661, https://doi.org/10.1023/A:1010119532614 . [all data]

Perlovich and Bauer-Brandl, 2003
Perlovich, German L.; Bauer-Brandl, Annette, Pharmaceutical Research, 2003, 20, 3, 471-478, https://doi.org/10.1023/A:1022624725495 . [all data]

Kirklin, 2000
Kirklin, Duane R., Enthalpy of combustion of acetylsalicylic acid, The Journal of Chemical Thermodynamics, 2000, 32, 6, 701-709, https://doi.org/10.1006/jcht.1999.0650 . [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]

Lang (editor), 1962
Lang (editor), L., Absorption Spectra in the Ultraviolet and Visible Region, 1962, 3, 85. [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]

Schutz and Wollrab A., 1988
Schutz, H.; Wollrab A., The significance of the retention index in toxicologic analysis II, Pharmazie in unzerer Zeit, 1988, 17, 4, 97-101. [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, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References