1,3,5-Benzenetricarboxylic acid, trimethyl ester

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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
Δfsolid-1101.1 ± 1.2kJ/molCcbColomina, Laynez, et al., 1972 
Quantity Value Units Method Reference Comment
Δcsolid-5336.0 ± 1.0kJ/molCcbColomina, Laynez, et al., 1972Corresponding Δfsolid = -1101.11 kJ/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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus419.4KN/ADozen, Fujishima, et al., 1978Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Δsub118.9 ± 0.4kJ/molN/AJimenez, Menendez, et al., 1995AC
Δsub117.5 ± 0.8kJ/molN/ATurrión, 1967See also Jimenez, Menendez, et al., 1995.; AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
75.4458.AStephenson and Malanowski, 1987Based on data from 443. to 513. K.; AC

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
115.9 ± 0.4359.MEJimenez, Menendez, et al., 1995Based on data from 350. to 368. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
17.6419.4DSCDozen, Fujishima, et al., 1978, 2Fusion enthalpy may not be reliable—authors reported a mass loss as the sample melted; 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:


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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IR spectrum
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Additional Data

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Owner SRD/NIST
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin EPA-IR VAPOR PHASE LIBRARY
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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-NW-9833
NIST MS number 239749

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.


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
PackedOV-1200.1872.Fedoreev and Maksimov, 1977Gaschrom; Column length: 1.5 m
PackedSE-30200.1879.Safar, Kafka, et al., 1972N2, Chromosorb G (60-80 mesh); Column length: 3.6 m

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

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Column type Active phase I Reference Comment
PackedSE-301860.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySPB-51892.Pino, Marbot, et al., 200530. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min

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.

Colomina, Laynez, et al., 1972
Colomina, M.; Laynez, J.L.; Perez-Ossorio, R.; Turrion, C., Enthalpies of combustion and formation of six methyl esters of benzene carboxylic acids, J. Chem. Thermodyn., 1972, 4, 499-506. [all data]

Dozen, Fujishima, et al., 1978
Dozen, Y.; Fujishima, S.; Shingu, H., Structures and fusion parameters of methoxycarbonyl-benzenes and -naphthalenes, Thermochim. Acta, 1978, 25, 2, 209, https://doi.org/10.1016/0040-6031(78)85008-4 . [all data]

Jimenez, Menendez, et al., 1995
Jimenez, P.; Menendez, V.; Roux, M.V.; Turrion, C., Vapour pressures and enthalpies of sublimation of four polymethoxycarbonylbenzenes, J. Chem. Thermodyn., 1995, 27, 679-683. [all data]

Turrión, 1967
Turrión, C., , Presiones de vapor y calores de sublimación de los ácidos bencenecarboxilicos y sus ésteres metilicos. Beca "Juan March" de estudios en España, grupo B, Madrid, 1967. [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]

Dozen, Fujishima, et al., 1978, 2
Dozen, Yasuhiko; Fujishima, Shizu; Shingu, Haruo, Structures and fusion parameters of methoxycarbonyl-benzenes and -naphthalenes, Thermochimica Acta, 1978, 25, 2, 209-216, https://doi.org/10.1016/0040-6031(78)85008-4 . [all data]

Fedoreev and Maksimov, 1977
Fedoreev, S.A.; Maksimov, O.B., The study of the composition of aromatic esters by gas-liquid chromatography, Solid Fuel Chem. (Engl. Transl.), 1977, 17-22. [all data]

Safar, Kafka, et al., 1972
Safar, M.; Kafka, Z.; Galik, V.; Landa, S., Gas Chromatographic Analysis of 1,3,5-Benzenetricarboxylic and 1,3,5-Cyclohexanetricarboxylic Acid and Their Derivatives, Collect. Czech. Chem. Commun., 1972, 39, 11, 3390-3393, https://doi.org/10.1135/cccc19743390 . [all data]

Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]

Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of genipap (Genipa americana L.) fruit from Cuba, Flavour Fragr. J., 2005, 20, 6, 583-586, https://doi.org/10.1002/ffj.1491 . [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References