- InChI
- InChI=1S/C6H6O2S/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)
- InChI Key
- VCNGNQLPFHVODE-UHFFFAOYSA-N
- Formula
- C6H6O2S
- SMILES
- Cc1ccc(C(=O)O)s1
- Molecular Weight1
- 142.18
- CAS
- 1918-79-2
- Other Names
-
- 2-Carboxy-5-methylthiophene
- 2-Methyl-5-thiophenecarboxylic acid
- 5-Methyl-2-thiophenecarboxylic acid
- 5-Methyl-2-thiophenecarboxylic acid (keto form)
- 5-Methyl-2-thiophenecaroboxylic acid
- 5-Methylthiophen-2-carboxylic acid
- 5-methylthiophene-2-carboxylic acid
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (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).
- Pvap : Vapor 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 | 0.6333 | Relay (1.0) Calculated Property | |
| ΔfG° | -224.39 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -301.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | 101.90 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 81.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.755 | Crippen Calculated Property | |
| McVol | 99.730 | ml/mol | McGowan Calculated Property |
| Pc | 4674.74 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1255.00; 1255.00] |
|
|
| Inp | 1255.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Tboil | 542.25 | K | Relay (1.0) Calculated Property |
| Tc | 760.40 | K | Relay (1.0) Calculated Property |
| Tfus | 419.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.345 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Similar Compounds
Find more compounds similar to 2-Thiophenecarboxylic acid, 5-methyl-.
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
- Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
- McGowan Method
- NIST Webbook
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