Benzoic acid, 3,4,5-trimethoxy-
- Formula: C10H12O5
- Molecular weight: 212.1993
- IUPAC Standard InChI: InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
- IUPAC Standard InChIKey: SJSOFNCYXJUNBT-UHFFFAOYSA-N
- CAS Registry Number: 118-41-2
- 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: Eudesmic acid; Gallic acid trimethyl ether; Tri-O-methylgallic acid; Veratric acid, 5-methoxy-; 3,4,5-Trimethoxybenzoic acid; Trimethylgallic acid; NSC 2525
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Phase change data
Go To: Top, 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 |
|---|---|---|---|---|---|
| ΔsubH° | 31.4 ± 0.2 | kcal/mol | ME | Roux, Jiménez, et al., 2001 | AC |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 499.2 | 0.013 | Weast and Grasselli, 1989 | BS |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 30.6 ± 0.2 | 363. | ME | Roux, Jiménez, et al., 2001 | Based on data from 354. to 372. K.; AC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 7.15 | 444.5 | DSC | Huang, 2003 | See also Huang, Tang, et al., 2005.; AC |
Gas Chromatography
Go To: Top, 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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1771.8 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
References
Go To: Top, Phase change data, 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]
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, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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