- InChI
- InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
- InChI Key
- QERYCTSHXKAMIS-UHFFFAOYSA-N
- Formula
- C5H4O2S
- SMILES
- O=C(O)c1cccs1
- Molecular Weight1
- 128.15
- CAS
- 527-72-0
- Other Names
-
- .alpha.-thiophenecarboxylic acid
- 2-TCA
- 2-carboxythiophene
- 2-thenoic acid
- 2-thiophenic acid
- Thenoic acid
- Thiophene-2-carboxylic acid
- «alpha»-Thiophenecarboxylic 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 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).
- 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 | 0.6131 | Relay (1.0) Calculated Property | |
| ΔfG° | -210.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -271.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.14; 9.35] | eV |
|
| IE | 9.35 | eV | NIST |
| IE | 9.14 ± 0.05 | eV | NIST |
| log10WS | -1.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.446 | Crippen Calculated Property | |
| McVol | 85.640 | ml/mol | McGowan Calculated Property |
| Pc | 5226.60 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1199.00 | NIST | |
| Tboil | 533.20 | K | NIST |
| Tc | 767.79 | K | Relay (1.0) Calculated Property |
| Tfus | 400.00 ± 2.00 | K | NIST |
| Vc | 0.291 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 153.78 | 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 | 21.00 | kJ/mol | 400.90 | NIST |
| ΔsubH | [96.90; 97.10] | kJ/mol | [318.50; 319.00] |
|
| ΔsubH | 96.90 | kJ/mol | 318.50 | NIST |
| ΔsubH | 97.10 | kJ/mol | 319.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Thiophenecarboxylic 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
- Evaluation of sublimation enthalpy by thermogravimetry: Analysis of the diffusion effects in the case of methyl and phenyl substituted hydantoins
- McGowan Method
- NIST Webbook
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