- InChI
- InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
- InChI Key
- YNVOMSDITJMNET-UHFFFAOYSA-N
- Formula
- C5H4O2S
- SMILES
- O=C(O)c1ccsc1
- Molecular Weight1
- 128.15
- CAS
- 88-13-1
- Other Names
-
- .beta.-thiophenecarboxylic acid
- .beta.-thiophenic acid
- 3-Thenoic acid
- Thiophene-3-carboxylic acid
- «beta»-Thiophenecarboxylic acid
- «beta»-Thiophenic acid
- «beta»-Thiophenecarboxylic acid
- «beta»-Thiophenic acid
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 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 |
|---|---|---|---|
| log10WS | -1.47 | Aq. Sol... | |
| logPoct/wat | 1.446 | Crippen Calculated Property | |
| McVol | 85.640 | ml/mol | McGowan Calculated Property |
| Tfus | [411.65; 411.85] | K |
|
| Tfus | 411.65 | K | Aq. Sol... |
| Tfus | 411.85 | K | Solid-l... |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 18.30 | kJ/mol | 412.90 | NIST |
Similar Compounds
Find more compounds similar to 3-Thiophenecarboxylic acid.
Mixtures
- Acetic acid + Water + 3-Thiophenecarboxylic acid
- Water + 3-Thiophenecarboxylic acid
- Acetic acid + 3-Thiophenecarboxylic acid
Sources
- Crippen Method
- Solid-liquid equilibrium and thermodynamic research of 3-Thiophenecarboxylic acid in (water + acetic acid) binary solvent mixtures
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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