- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
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° | 72.02 | 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; 405.48] | 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 | 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
- 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
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.