- InChI
- InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)
- InChI Key
- SMJRBWINMFUUDS-UHFFFAOYSA-N
- Formula
- C6H6O2S
- SMILES
- O=C(O)Cc1cccs1
- Molecular Weight1
- 142.18
- CAS
- 1918-77-0
- Other Names
-
- 2-Thienylacetic acid
- Thiophene-2-acetic acid
- Thiopheneacetic acid
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Pc : Critical Pressure (kPa).
- 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 | 0.6224 | Relay (1.0) Calculated Property | |
| ΔfG° | -206.90 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -288.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.00 | kJ/mol | Thermophysical properties of sulfur heterocycles: Thiane and thiophene derivatives |
| ΔsubH° | 97.50 ± 1.40 | kJ/mol | NIST |
| ΔvapH° | 70.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.375 | Crippen Calculated Property | |
| McVol | 99.730 | ml/mol | McGowan Calculated Property |
| Pc | 4721.47 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 527.77 | K | Relay (1.0) Calculated Property |
| Tc | 771.15 | K | Relay (1.0) Calculated Property |
| Tfus | 375.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.340 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 14.00 | kJ/mol | 337.40 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 433.20 | K | 2.90 | NIST |
Similar Compounds
Find more compounds similar to 2-Thiopheneacetic 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
- Thermophysical properties of sulfur heterocycles: Thiane and thiophene derivatives
- McGowan Method
- NIST Webbook
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