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Benzoic acid, 3,4,5-trimethoxy-

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Phase change data

Go To: Top, 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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Deltasub131.2 ± 0.8kJ/molMERoux, Jiménez, et al., 2001AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
499.20.013Weast and Grasselli, 1989BS

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
127.9 ± 0.8363.MERoux, Jiménez, et al., 2001Based on data from 354. - 372. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
29.9444.5DSCHuang, 2003See also Huang, Tang, et al., 2005.; AC

Mass spectrum (electron ionization)

Go To: Top, Phase change data, 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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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 AAFS Toxicology Section MS DB Committee, U. Alberta, Canada
NIST MS number 246214

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UV/Visible spectrum

Go To: Top, Phase change 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 Kofod and Jorgensen, 1955
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. 12383
Instrument n.i.g.
Melting point 172.3
Boiling point 225-7/ 10 mm

Gas Chromatography

Go To: Top, Phase change data, 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

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1771.8Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

References

Go To: Top, Phase change 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.

Roux, Jiménez, et al., 2001
Roux, Maria Victoria; Jiménez, Pilar; Mayorga, Paola-Andrea; Dávalos, Juan Z.; Böhm, Stanislav; Exner, Otto, Energy of Crowded Molecules: 3,4,5-Trimethoxybenzoic Acid, J. Phys. Chem. A, 2001, 105, 33, 7926-7932, https://doi.org/10.1021/jp011188r . [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]

Huang, 2003
Huang, C.-Y., , M.S. Thesis, Chinese Culture University, 2003. [all data]

Huang, Tang, et al., 2005
Huang, Chih-Yung; Tang, Muoi; Chen, Yan-Ping, Solid-Liquid Equilibria for 3-Aminophenol + 2-Aminophenol, 4-(Acetylamino)toluene + 2-(Acetylamino)toluene, and 3,4,5-Trimethoxybenzoic Acid + 2,4,5-Trimethoxybenzoic Acid, J. Chem. Eng. Data, 2005, 50, 1, 40-43, https://doi.org/10.1021/je049878m . [all data]

Kofod and Jorgensen, 1955
Kofod, H.; Jorgensen, C., Acta Chem. Scand, 1955, 9, 1327. [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]


Notes

Go To: Top, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References