- InChI
- InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
- InChI Key
- CHTHALBTIRVDBM-UHFFFAOYSA-N
- Formula
- C6H4O5
- SMILES
- O=C(O)c1ccc(C(=O)O)o1
- Molecular Weight1
- 156.09
- Other Names
-
- 2,5-dicarboxyfuran
- Dehydromucic acid
- Furan-2,5-dicarboxylic acid
- Furane-«alpha»,«alpha»'-dicarboxylic acid
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -794.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.676 | Crippen Calculated Property | |
| McVol | 96.690 | ml/mol | McGowan Calculated Property |
| Tboil | 554.60 | K | Relay (1.0) Calculated Property |
| Tfus | 614.45 | K | Solubilities of 2,5-Furandicarboxylic Acid in Binary Acetic Acid + Water, Methanol + Water, and Ethanol + Water Solvent Mixtures |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 121.30 | kJ/mol | 390.00 | NIST |
Similar Compounds
Find more compounds similar to 2,5-Furandicarboxylic acid.
Mixtures
- Acetic acid + Water + 2,5-Furandicarboxylic acid
- Methyl Alcohol + Water + 2,5-Furandicarboxylic acid
- Ethanol + Water + 2,5-Furandicarboxylic acid
- Acetic acid + 2,5-Furandicarboxylic acid
- Water + 2,5-Furandicarboxylic acid
- Methyl Alcohol + 2,5-Furandicarboxylic acid
- Ethanol + 2,5-Furandicarboxylic acid
- Furfural + Water + 2,5-Furandicarboxylic acid
- 2-furoic acid + Water + 2,5-Furandicarboxylic acid
- 1-Propanol, 2-methyl- + 2,5-Furandicarboxylic acid
- 1-Butanol + 2,5-Furandicarboxylic acid
- Ethyl Acetate + 2,5-Furandicarboxylic acid
- Acetonitrile + 2,5-Furandicarboxylic acid
- Methyl Isobutyl Ketone + 2,5-Furandicarboxylic acid
- Acetonitrile + Water + 2,5-Furandicarboxylic acid
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Solubility of 2,5-Furandicarboxylic Acid in Eight Pure Solvents and Two Binary Solvent Systems at 313.15-363.15 K
- Mutual Influence of Furfural and Furancarboxylic Acids on Their Solubility in Aqueous Solutions: Experiments and Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) Predictions
- Solubilities of 2,5-Furandicarboxylic Acid in Binary Acetic Acid + Water, Methanol + Water, and Ethanol + Water Solvent Mixtures
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
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