- 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
- 88-14-2
- Other Names
-
- .alpha.-furancarboxylic acid
- .alpha.-furoic acid
- 2-Carboxyfuran
- 2-Furanoic acid
- 2-Furoic acid
- 2-furancarboxilic 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
- «alpha»-Furancarboxylic acid
- «alpha»-Furoic acid
- ω : Acentric Factor.
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6393 | Relay (1.0) Calculated Property | |
| ΔfG° | -321.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -416.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | 88.40 ± 1.50 | kJ/mol | NIST |
| ΔvapH° | 72.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.16; 9.32] | eV |
|
| IE | 9.17 | eV | NIST |
| IE | 9.32 | eV | NIST |
| IE | 9.16 ± 0.05 | eV | NIST |
| log10WS | -0.49 | Aq. Solubility Prediction | |
| logPoct/wat | 0.978 | Crippen Calculated Property | |
| McVol | 75.160 | ml/mol | McGowan Calculated Property |
| Pc | 5176.84 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1087.80 | NIST | |
| Tboil | 504.20 | K | NIST |
| Tc | 716.62 | K | Relay (1.0) Calculated Property |
| Tfus | [403.55; 406.65] | K |
|
| Tfus | 405.48 | K | Aq. Solubility Prediction |
| 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 ± 1.00 | K | NIST |
| Tfus | 405.15 ± 0.70 | K | NIST |
| Vc | 0.281 | m3/kmol | Relay (1.0) Calculated Property |
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 |
| ΔfusH | 22.60 | kJ/mol | 402.50 | NIST |
| ΔsubH | 108.40 ± 2.20 | kJ/mol | 322.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 415.70 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 2-Furancarboxylic acid.
Mixtures
- Ethanol + 2-Furancarboxylic acid
- Acetone + 2-Furancarboxylic acid
- 1-Propanol + 2-Furancarboxylic acid
- Acetic acid, methyl ester + 2-Furancarboxylic acid
- Ethyl Acetate + 2-Furancarboxylic acid
- Acetone + 2-Furancarboxylic acid + Water
- Ethanol + 2-Furancarboxylic acid + Water
- 2-Furancarboxylic acid + Water
- Furfural + 2-Furancarboxylic acid + Water
- 2-Furancarboxylic acid + 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
- 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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