Benzoic acid, 3-methoxy-
- Formula: C8H8O3
- Molecular weight: 152.1473
- IUPAC Standard InChI: InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
- IUPAC Standard InChIKey: XHQZJYCNDZAGLW-UHFFFAOYSA-N
- CAS Registry Number: 586-38-9
- 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: m-Anisic acid; m-Methoxybenzoic acid; 3-Methoxybenzoic acid
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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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 23. | kcal/mol | Sub-Fus | Perlovich, Volkova, et al., 2008 | AC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 27.4 ± 0.2 | kcal/mol | GS | Perlovich, Volkova, et al., 2008 | Based on data from 310. to 349. K.; AC |
| ΔsubH° | 25.69 ± 0.1 | kcal/mol | ME | Stephenson and Malanowski, 1987 | See also Colomina, Jimenez, et al., 1978.; AC |
| ΔsubH° | 25.67 | kcal/mol | N/A | Colomina, Jimenez, et al., 1978 | DRB |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 444.2 | 0.013 | Weast and Grasselli, 1989 | BS |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 25.669 ± 0.096 | 318.12 | V | Colomina, Jimenez, et al., 1978 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 25.69 ± 0.1 kcal/mol; ALS |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 5.95 | 378.7 | DSC | Perlovich, Volkova, et al., 2008 | AC |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Perlovich, Volkova, et al., 2008
Perlovich, German L.; Volkova, Tatyana V.; Manin, Alex N.; Bauer-Brandl, Annette,
Extent and mechanism of solvation and partitioning of isomers of substituted benzoic acids: A thermodynamic study in the solid state and in solution,
J. Pharm. Sci., 2008, 97, 9, 3883-3896, https://doi.org/10.1002/jps.21260
. [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]
Colomina, Jimenez, et al., 1978
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C.,
Thermochemical properties of benzoic acid derivatives VII. Enthalpies of combustion and formation of the o-, m-, and p-methoxy-benzoic acids,
J. Chem. Thermodyn., 1978, 10, 661-665. [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]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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