1,3,5-Benzenetricarboxylic acid, trimethyl ester
- Formula: C12H12O6
- Molecular weight: 252.2201
- IUPAC Standard InChIKey: RGCHNYAILFZUPL-UHFFFAOYSA-N
- CAS Registry Number: 2672-58-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Trimesic acid trimethyl ester; Trimethyl trimesate; Trimethyl 1,3,5-benzenetricarboxylate; Trimethyl benzene-1,3,5-tricarboxylate
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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 |
---|---|---|---|---|---|
ΔfH°solid | -263.17 ± 0.28 | kcal/mol | Ccb | Colomina, Laynez, et al., 1972 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1275.33 ± 0.24 | kcal/mol | Ccb | Colomina, Laynez, et al., 1972 | Corresponding ΔfHºsolid = -263.172 kcal/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 |
---|---|---|---|---|---|
Tfus | 419.4 | K | N/A | Dozen, Fujishima, et al., 1978 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 28.42 ± 0.1 | kcal/mol | N/A | Jimenez, Menendez, et al., 1995 | AC |
ΔsubH° | 28.1 ± 0.2 | kcal/mol | N/A | Turrión, 1967 | See also Jimenez, Menendez, et al., 1995.; AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
18.0 | 458. | A | Stephenson and Malanowski, 1987 | Based on data from 443. to 513. K.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
27.70 ± 0.1 | 359. | ME | Jimenez, Menendez, et al., 1995 | Based on data from 350. to 368. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
4.21 | 419.4 | DSC | Dozen, Fujishima, et al., 1978, 2 | Fusion enthalpy may not be reliable—authors reported a mass loss as the sample melted; AC |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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
Gas Phase 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 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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