NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
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 |
|---|---|---|---|---|---|
| Tfus | 441.2 | K | N/A | Manzo and Ahumanda, 1990 | Uncertainty assigned by TRC = 0.5 K; TRC |
| Tfus | 441. | K | N/A | El-Banna, 1978 | Uncertainty assigned by TRC = 2. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 138. ± 3. | kJ/mol | Fus+Vap | Vecchio and Tomassetti, 2009 | AC |
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 103. ± 3. | 521. | TGA | Vecchio and Tomassetti, 2009 | AC |
| 99. ± 1. | 494. | TGA | Vecchio and Tomassetti, 2009 | AC |
| ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 27.6 | 443.2 | DSC | Mota, Carneiro, et al., 2009 | AC |
| 27.0 | 440.3 | DSC | Vecchio and Tomassetti, 2009 | AC |
| 26.49 | 441.9 | AC,DSC | Xu, Sun, et al., 2006 | AC |
| 26.2 | 443. | DSC | Romero, Bustamante, et al., 2004 | AC |
| 26.02 | 441.2 | N/A | Manzo and Ahumada, 1990 | AC |
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:
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
| IE (eV) | Method | Reference |
|---|---|---|
| 7.57 ± 0.02 | EI | Benezra and Bursey, 1972 |
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H6NO + | 13.52 ± 0.02 | CH3CO | EI | Benezra and Bursey, 1972 | |
| C6H7NO + | 9.82 ± 0.02 | CH2=C=O | EI | Benezra and Bursey, 1972 |
Data compiled by: Coblentz Society, Inc.
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
The interactive spectrum display requires a browser with JavaScript and HTML 5 canvas support.
Select a region with data to zoom. Select a region with no data or click the mouse on the plot to revert to the orginal display.
The following components were used in generating the plot:
Additonal code used was developed at NIST: jcamp-dx.js and jcamp-plot.js.
Use or mention of technologies or programs in this web site is not intended to imply recommendation or endorsement by the National Institute of Standards and Technology, nor is it intended to imply that these items are necessarily the best available for the purpose.
View image of digitized spectrum (can be printed in landscape orientation).
Download spectrum in JCAMP-DX format.
| Owner | Collection (C) 2005 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| State | Solid (powder) |
| Sample description | 8.1 mg + 113.5 mg polyethylene spectrograde powder |
| Sample contents | acetaminophen |
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
The interactive spectrum display requires a browser with JavaScript and HTML 5 canvas support.
Select a region with data to zoom. Select a region with no data or click the mouse on the plot to revert to the orginal display.
The following components were used in generating the plot:
Additonal code used was developed at NIST: jcamp-dx.js and jcamp-plot.js.
Use or mention of technologies or programs in this web site is not intended to imply recommendation or endorsement by the National Institute of Standards and Technology, nor is it intended to imply that these items are necessarily the best available for the purpose.
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-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.
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
The interactive spectrum display requires a browser with JavaScript and HTML 5 canvas support.
Select a region with data to zoom. Select a region with no data or click the mouse on the plot to revert to the orginal display.
The following components were used in generating the plot:
Additonal code used was developed at NIST: jcamp-dx.js and jcamp-plot.js.
Use or mention of technologies or programs in this web site is not intended to imply recommendation or endorsement by the National Institute of Standards and Technology, nor is it intended to imply that these items are necessarily the best available for the purpose.
View image of digitized spectrum (can be printed in landscape orientation).
Download spectrum in JCAMP-DX format.
| 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 |
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-5 | 220. | 1697. | Phillips, Logan, et al., 1990 | 15. m/0.25 mm/0.2 μm, He |
| Capillary | BP-1 | 200. | 1632. | Japp, Gill, et al., 1987 | 25. m/0.22 mm/0.25 μm, N2 |
| Capillary | BP-1 | 200. | 1643. | Japp, Gill, et al., 1987 | 25. m/0.53 mm/1. μm, N2 |
| Capillary | SPB-1 | 250. | 1650. | Lora-Tamayo, Rams, et al., 1986 | He; Column length: 25. m; Column diameter: 0.20 mm |
| Packed | OV-101 | 190. | 1664. | Möller, 1976 | N2, Chromosorb W; Column length: 2. m |
| Packed | OV-101 | 230. | 1678. | Möller, 1976 | N2, Chromosorb W; Column length: 2. m |
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 1668. | Christ, Noomano, et al., 1988 | 30. m/0.75 mm/1.0 μm, He, 10. K/min, 280. C @ 12. min; Tstart: 160. C |
| Capillary | DB-1 | 1631. | Perrigo, Peel, et al., 1985 | 15. m/0.32 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C |
| Capillary | 5 % Phenyl methyl siloxane | 1694.0 | Newton and Foery, 1984 | 12. m/0.2 mm/0.33 μm, He, 50. C @ 1. min, 20. K/min, 300. C @ 3. min |
| Capillary | DB-1 | 1631. | Perrigo, Ballantyne, et al., 1984 | 15. m/0.25 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C |
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1636. | Stowell and Wilson, 1987 | 12. m/0.22 mm/0.25 μm, He; Program: 120C => 8C/min => 270C => 25C/min => 300C |
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX5 | 1703. | Boustie, Rapior, et al., 2005 | 25. m/0.20 mm/0.13 μm, He, 50. C @ 2. min, 3. K/min; Tend: 230. C |
| Capillary | BP-1 | 1631. | Stowell and Wilson, 1985 | 12. m/0.22 mm/0.25 μm, He, 8. K/min; Tstart: 120. C; Tend: 280. C |
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1636. | Stowell and Wilson, 1985 | 12. m/0.22 mm/0.25 μm, He; Program: 120 0X 8 0C/min -> 270 0C 25 0C/min -> 300 0C (5 min) |
| Other | Methyl Silicone | 1687. | Ardrey and Moffat, 1981 | Program: not specified |
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]
Phillips, Logan, et al., 1990
Phillips, A.M.; Logan, B.K.; Stafford, D.T., Further applications for capillary gas chromatography in routine quantitative toxicological analyses, J. Hi. Res. Chromatogr., 1990, 13, 11, 754-758, https://doi.org/10.1002/jhrc.1240131106 . [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]
Lora-Tamayo, Rams, et al., 1986
Lora-Tamayo, C.; Rams, M.A.; Chacon, J.M.R., Gas Chromatographic Data for 187 Nitrogen- or Phosphorus-Containing Drugs and Metabolites of Toxicological Interest Analysed on Methyl Silicone Capillary Columns, J. Chromatogr., 1986, 374, 73-85, https://doi.org/10.1016/S0378-4347(00)83254-5 . [all data]
Möller, 1976
Möller, M.R., Comparability of retention indices of polar substances at elevated temperatures, Chromatographia, 1976, 9, 7, 311-314, https://doi.org/10.1007/BF02268832 . [all data]
Christ, Noomano, et al., 1988
Christ, D.W.; Noomano, P.; Rosas, M.; Rhone, D., Retention indices by wide-bore capillary gas chromatography with nitrogen-phosphorus detection, J. Anal. Toxicol., 1988, 12, 2, 84-88, https://doi.org/10.1093/jat/12.2.84 . [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]
Newton and Foery, 1984
Newton, B.; Foery, R.F., Retention indices and dual capillary gas chromatography for rapid identification of sedative hypnotic drugs in emergency toxicology, J. Anal. Toxicol., 1984, 8, 3, 129-134, https://doi.org/10.1093/jat/8.3.129 . [all data]
Perrigo, Ballantyne, et al., 1984
Perrigo, B.J.; Ballantyne, D.J.; Peel, H.W., Condierations in developing a data base for drugs on a DBI capillary column, J. Can. Soc. Forensic Sci., 1984, 17, 2, 41-49, https://doi.org/10.1080/00085030.1984.10757360 . [all data]
Stowell and Wilson, 1987
Stowell, A.; Wilson, L.W., A simple approach to the interlaboratory transfer of drug retention indices determined by temperature programmed capillary gas chromatography, J. Forensic Sci., 1987, 32, 5, 1214-1220. [all data]
Boustie, Rapior, et al., 2005
Boustie, J.; Rapior, S.; Fortin, H.; Tomas, S.; Bessiere, J.-M., Chemotaxonomic interest of volatile components in Lepista inversa and Lepista flaccida distinctions, Cryptogamie, Mycologie, 2005, 26, 1, 1-4. [all data]
Stowell and Wilson, 1985
Stowell, A.; Wilson, L., Use of retention indices in drug screening by capillary gas chromatography, Rep. # CD 2362, Department of Scientific and Industrial Reseach, Chemistry Division, Lower Hutt, NZ, 1985, 32. [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]
| AE | Appearance energy |
| Tfus | Fusion (melting) point |
| ΔfusH | Enthalpy of fusion |
| ΔsubH° | Enthalpy of sublimation at standard conditions |
| ΔvapH | Enthalpy of vaporization |
© 2023 by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Copyright for NIST Standard Reference Data is governed by the Standard Reference Data Act.
