- InChI
- InChI=1S/C6H4O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
- InChI Key
- YCGAZNXXGKTASZ-UHFFFAOYSA-N
- Formula
- C6H4O4S
- SMILES
- O=C(O)c1ccc(C(=O)O)s1
- Molecular Weight1
- 172.16
- CAS
- 4282-31-9
- Other Names
-
- 2,5-Dicarboxythiophene
- thiophene-2,5-dicarboxylic 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).
- 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).
- Tboil : Normal Boiling Point Temperature (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 | 0.8265 | Relay (1.0) Calculated Property | |
| ΔfG° | -450.94 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -637.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.145 | Crippen Calculated Property | |
| McVol | 107.170 | ml/mol | McGowan Calculated Property |
| Pc | 5070.38 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 569.28 | K | Relay (1.0) Calculated Property |
| Tc | 847.45 | K | Relay (1.0) Calculated Property |
| Tfus | 545.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.377 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Similar Compounds
Find more compounds similar to 2,5-Thiophenedicarboxylic acid.
Mixtures
- Methyl Alcohol + 2,5-Thiophenedicarboxylic acid
- Ethanol + 2,5-Thiophenedicarboxylic acid
- Isopropyl Alcohol + 2,5-Thiophenedicarboxylic acid
- 1-Butanol + 2,5-Thiophenedicarboxylic acid
- Acetic acid + 2,5-Thiophenedicarboxylic acid
- n-Hexane + 2,5-Thiophenedicarboxylic acid
- Acetonitrile + 2,5-Thiophenedicarboxylic acid
- Acetone + 2,5-Thiophenedicarboxylic acid
- Ethanol + Acetic acid + 2,5-Thiophenedicarboxylic acid
- Ethanol + Water + 2,5-Thiophenedicarboxylic acid
- Water + 2,5-Thiophenedicarboxylic 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
- Solid-liquid equilibrium and thermodynamic of 2,5-thiophenedicarboxylic acid in different organic solvents
- Thermodynamic models for determination of the solid-liquid equilibrium of 2,5-thiophenedicarboxylic acid in (acetic acid + ethanol) binary solvent mixtures
- Thermophysical properties of sulfur heterocycles: Thiane and thiophene derivatives
- Solubility and solution thermodynamics of 2,5-thiophenedicarboxylic acid in (water + ethanol) binary solvent mixtures
- McGowan Method
- NIST Webbook
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