2,5-Dimethoxybenzoic acid
- Formula: C9H10O4
- Molecular weight: 182.1733
- IUPAC Standard InChI: InChI=1S/C9H10O4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)
- IUPAC Standard InChIKey: NYJBTJMNTNCTCP-UHFFFAOYSA-N
- CAS Registry Number: 2785-98-0
- 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: Benzoic acid, 2,5-dimethoxy-
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Gas 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°gas | -138.3 ± 0.53 | kcal/mol | Ccb | Jimenex, Roux, et al., 1996 |
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 | -166.0 ± 0.50 | kcal/mol | Ccb | Jimenex, Roux, et al., 1996 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1022.0 ± 0.41 | kcal/mol | Ccb | Jimenex, Roux, et al., 1996 | Corresponding ΔfHºsolid = -166.0 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 27.7 ± 0.2 | kcal/mol | V | Jimenex, Roux, et al., 1996 | ALS |
| ΔsubH° | 27.75 | kcal/mol | N/A | Jimenex, Roux, et al., 1996 | DRB |
| ΔsubH° | 27.7 ± 0.2 | kcal/mol | ME | Jimenex, Roux, et al., 1996 | Based on data from 324. to 342. K.; AC |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 27.1 ± 0.2 | 333. | ME | Jimenex, Roux, et al., 1996 | Based on data from 324. to 342. K.; AC |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Jimenex, Roux, et al., 1996
Jimenex, P.; Roux, M.V.; Kulhanek, J.; Exner, O.,
Enthalpies of formation of methoxybenzoic acids and their dependence on structure,
Struct. Chem., 1996, 7, 375-381. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions 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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