Benzoic acid, 3,4-dimethoxy-
- Formula: C9H10O4
- Molecular weight: 182.1733
- IUPAC Standard InChI: InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)
- IUPAC Standard InChIKey: DAUAQNGYDSHRET-UHFFFAOYSA-N
- CAS Registry Number: 93-07-2
- 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: Veratric acid; Dimethylprotocatechuic acid; 3,4-Dimethoxybenzoic acid; 3,4-Dimethylprotocatechuic acid; Veratrumenoic acid; Veratrylic acid; NSC 7721
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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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 129.8 ± 0.6 | kJ/mol | V | Colomina, Jimenez, et al., 1985 | ALS |
| ΔsubH° | 129.8 ± 0.6 | kJ/mol | ME | Colomina, Jiménez, et al., 1985 | Based on data from 359. to 378. K.; AC |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 126.1 ± 0.6 | 369. | ME | Colomina, Jiménez, et al., 1985 | Based on data from 359. to 378. K.; 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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1670. | Alves, Pinto, et al., 2005 | 30. m/0.25 mm/0.25 μm, H2, 5. K/min, 270. C @ 20. min; Tstart: 35. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1688. | Alissandrakis, Kibaris, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min) |
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.
Colomina, Jimenez, et al., 1985
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C.,
Thermochemical properties of benzoic acid derivatives. XII. Vapour pressures and enthalpies of sublimation and formation of five dimethoxybenzoic acids,
J. Chem. Thermodyn., 1985, 17, 1091-10. [all data]
Colomina, Jiménez, et al., 1985
Colomina, M.; Jiménez, P.; Roux, M.V.; Turrión, C.,
Thermochemical properties of benzoic acid derivatives XII. Vapour pressures and enthalpies of sublimation and formation of five dimethoxybenzoic acids,
The Journal of Chemical Thermodynamics, 1985, 17, 11, 1091-1096, https://doi.org/10.1016/0021-9614(85)90096-5
. [all data]
Alves, Pinto, et al., 2005
Alves, R.J.V.; Pinto, A.C.; da Costa, A.V.M.; Rezende, C.M.,
Zizyphus mauritiana Lam. (Rhamnaceae) and the chemical composition of its floral fecal odor,
J. Braz. Chem. Soc., 2005, 16, 3B, 654-656, https://doi.org/10.1590/S0103-50532005000400027
. [all data]
Alissandrakis, Kibaris, et al., 2005
Alissandrakis, E.; Kibaris, A.C.; Tarantilis, P.A.; Harizanis, P.C.; Polissiou, M.,
Flavour compounds of Greek cotton honey,
J. Sci. Food Agric., 2005, 85, 9, 1444-1452, https://doi.org/10.1002/jsfa.2124
. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
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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