- InChI
- InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
- InChI Key
- SMNDYUVBFMFKNZ-UHFFFAOYSA-N
- Formula
- C5H4O3
- SMILES
- O=C(O)c1ccco1
- Molecular Weight1
- 112.08
- CAS
- 26447-28-9
- Other Names
-
- .alpha.-furancarboxylic acid
- .alpha.-furoic acid
- 2-Furanoic acid
- 2-carboxyfuran
- 2-furancarboxilic acid
- 2-furancarboxylic acid
- Furan-2-carboxylic acid
- Furancarboxylic acid-(2)
- Furoic acid
- Furoica
- Kyselina 2-furoova
- Kyselina pyroslizova
- NSC 8842
- pyromucic acid
- «alpha»-Furancarboxylic acid
- «alpha»-Furoic acid
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -2040.70 | kJ/mol | NIST |
| ΔfH°gas | [-395.00; -390.50] | kJ/mol |
|
| ΔfH°gas | -390.50 | kJ/mol | NIST |
| ΔfH°gas | -395.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°solid | [-503.00; -498.48] | kJ/mol |
|
| ΔfH°solid | -498.48 | kJ/mol | NIST |
| ΔfH°solid | -503.00 ± 2.00 | kJ/mol | NIST |
| ΔsubH° | [108.00; 108.40] | kJ/mol |
|
| ΔsubH° | 108.40 ± 2.40 | kJ/mol | NIST |
| ΔsubH° | 108.00 | kJ/mol | NIST |
| ΔvapH° | 69.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.49 | Aq. Solubility Prediction | |
| logPoct/wat | 0.978 | Crippen Calculated Property | |
| McVol | 75.160 | ml/mol | McGowan Calculated Property |
| Tboil | 505.26 | K | Relay (1.0) Calculated Property |
| Tfus | [403.55; 406.65] | K |
|
| Tfus | 403.55 | K | Measurement and Correlation of Solubility and Dissolution Thermodynamic Properties of Furan-2-carboxylic Acid in Pure and Binary Solvents |
| Tfus | 406.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 405.48 | K | Aq. Solubility Prediction |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 |
|---|---|---|---|---|
| Cp,solid | 132.26 | J/mol×K | 298.15 | Evaluation of sublimation enthalpy by thermogravimetry: Analysis of the diffusion effects in the case of methyl and phenyl substituted hydantoins |
Similar Compounds
Find more compounds similar to 2-furoic acid.
Mixtures
- Ethanol + 2-furoic acid
- Acetone + 2-furoic acid
- 1-Propanol + 2-furoic acid
- Acetic acid, methyl ester + 2-furoic acid
- Ethyl Acetate + 2-furoic acid
- Acetone + 2-furoic acid + Water
- Ethanol + 2-furoic acid + Water
- 2-furoic acid + Water
- Furfural + 2-furoic acid + Water
- 2-furoic acid + Water + 2,5-Furandicarboxylic acid
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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
- Evaluation of sublimation enthalpy by thermogravimetry: Analysis of the diffusion effects in the case of methyl and phenyl substituted hydantoins
- Mutual Influence of Furfural and Furancarboxylic Acids on Their Solubility in Aqueous Solutions: Experiments and Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) Predictions
- Measurement and Correlation of Solubility and Dissolution Thermodynamic Properties of Furan-2-carboxylic Acid in Pure and Binary Solvents
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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