Acetaminophen

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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus441.2KN/AManzo and Ahumanda, 1990Uncertainty assigned by TRC = 0.5 K; TRC
Tfus441.KN/AEl-Banna, 1978Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
ΔsubH°138. ± 3.kJ/molFus+VapVecchio and Tomassetti, 2009AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
103. ± 3.521.TGAVecchio and Tomassetti, 2009AC
99. ± 1.494.TGAVecchio and Tomassetti, 2009AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
27.6443.2DSCMota, Carneiro, et al., 2009AC
27.0440.3DSCVecchio and Tomassetti, 2009AC
26.49441.9AC,DSCXu, Sun, et al., 2006AC
26.2443.DSCRomero, Bustamante, et al., 2004AC
26.02441.2N/AManzo and Ahumada, 1990AC

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:

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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference
7.57 ± 0.02EIBenezra and Bursey, 1972

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H6NO+13.52 ± 0.02CH3COEIBenezra and Bursey, 1972 
C6H7NO+9.82 ± 0.02CH2=C=OEIBenezra and Bursey, 1972 

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: Timothy J. Johnson, Tanya L. Myers, Yin-Fong Su, Russell G. Tonkyn, Molly Rose K. Kelly-Gorham, and Tyler O. Danby

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

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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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-IW-3901
NIST MS number 229798

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.

UV/Visible spectrum

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, 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 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), 1965
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. 19635
Instrument Hilger Uvispek
Melting point 169-170

References

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

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

Manzo and Ahumanda, 1990
Manzo, R.H.; Ahumanda, A.A., Effects of solvent medium on solubility. V: Enthalpic and entropic contributions to the free energy changes of Di-substituted benzene derivatives in ethanol: Water and ethanol: Cyclohexane mixtures, J. Pharm. Sci., 1990, 79, 12, 1109, https://doi.org/10.1002/jps.2600791214 . [all data]

El-Banna, 1978
El-Banna, H.M., Solid Dispersion of Pharmaceutaical Ternary Systems I. Phase Diagrams of Aspirin- Acetominophen-Urea Systems, J. Pharm. Sci., 1978, 67, 1109. [all data]

Vecchio and Tomassetti, 2009
Vecchio, Stefano; Tomassetti, Mauro, Vapor pressures and standard molar enthalpies, entropies and Gibbs energies of sublimation of three 4-substituted acetanilide derivatives, Fluid Phase Equilibria, 2009, 279, 1, 64-72, https://doi.org/10.1016/j.fluid.2009.02.001 . [all data]

Mota, Carneiro, et al., 2009
Mota, Fátima L.; Carneiro, Aristides P.; Queimada, António J.; Pinho, Simão P.; Macedo, Eugénia A., Temperature and solvent effects in the solubility of some pharmaceutical compounds: Measurements and modeling, European Journal of Pharmaceutical Sciences, 2009, 37, 3-4, 499-507, https://doi.org/10.1016/j.ejps.2009.04.009 . [all data]

Xu, Sun, et al., 2006
Xu, F.; Sun, L.X.; Tan, Z.C.; Liang, J.G.; Zhang, T., Adiabatic calorimetry and thermal analysis on acetaminophen, J Therm Anal Calorim, 2006, 83, 1, 187-191, https://doi.org/10.1007/s10973-005-6969-0 . [all data]

Romero, Bustamante, et al., 2004
Romero, S.; Bustamante, P.; Escalera, B.; Cirri, M.; Mura, P., Characterization of the solid phases of paracetamol and fenamates at equilibrium in saturated solutions, Journal of Thermal Analysis and Calorimetry, 2004, 77, 2, 541-554, https://doi.org/10.1023/B:JTAN.0000038993.61782.ba . [all data]

Manzo and Ahumada, 1990
Manzo, Ruben H.; Ahumada, Amelia A., Effects of solvent medium on solubility. V: Enthalpic and entropic contributions to the free energy changes of Di-substituted benzene derivatives in ethanol: Water and ethanol: Cyclohexane mixtures, J. Pharm. Sci., 1990, 79, 12, 1109-1115, https://doi.org/10.1002/jps.2600791214 . [all data]

Benezra and Bursey, 1972
Benezra, S.A.; Bursey, M.M., Hydrogen bonding in mass spectral activated complexes. A correction, J. Chem. Soc. Perkin Trans. 2, 1972, 11, 1537. [all data]

Lang (editor), 1965
Lang (editor), L., Absorption Spectra in the Ultraviolet and Visible Region, 1965, 5, 93. [all data]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References