1,4-Benzodioxan-6-carboxaldehyde
- Formula: C9H8O3
- Molecular weight: 164.1580
- IUPAC Standard InChI: InChI=1S/C9H8O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5-6H,3-4H2
- IUPAC Standard InChIKey: CWKXDPPQCVWXAG-UHFFFAOYSA-N
- CAS Registry Number: 29668-44-8
- 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: 1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-; 7-Formyl-1,4-benzodioxane; 2,3-dihydro-1,4-benzodioxin-6-carbaldehyde
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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 23.5 ± 0.33 | kcal/mol | C | Matos, Sousa, et al., 2008 | AC |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 378.2 | 0.020 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 4.646 | 324.4 | DSC | Matos, Sousa, et al., 2008 | AC |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Matos, Sousa, et al., 2008
Matos, M. Agostinha R.; Sousa, Clara C.S.; Morais, Victor M.F.,
Experimental and Computational Thermochemistry of 1,4-Benzodioxan and its 6-R Derivatives,
J. Phys. Chem. A, 2008, 112, 34, 7961-7968, https://doi.org/10.1021/jp803579y
. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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