- 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
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔsubH° | 101.90 ± 0.30 | kJ/mol | NIST |
| log10WS | -1.77 | Crippen Calculated Property | |
| logPoct/wat | 1.755 | Crippen Calculated Property | |
| McVol | 99.730 | ml/mol | McGowan Calculated Property |
| Inp | [1255.00; 1255.00] |
|
|
| Inp | 1255.00 | NIST | |
| Inp | 1255.00 | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 100.40 ± 0.30 | kJ/mol | 327.00 | NIST |
| Pvap | [8.80e-05; 1.05e-03] | kPa | [316.29; 338.11] |
|
| Pvap | 8.80e-05 | kPa | 316.29 | Thermoc... |
| Pvap | 8.90e-05 | kPa | 316.29 | Thermoc... |
| Pvap | 9.00e-05 | kPa | 316.29 | Thermoc... |
| Pvap | 1.12e-04 | kPa | 318.25 | Thermoc... |
| Pvap | 1.10e-04 | kPa | 318.25 | Thermoc... |
| Pvap | 1.13e-04 | kPa | 318.25 | Thermoc... |
| Pvap | 1.39e-04 | kPa | 320.12 | Thermoc... |
| Pvap | 1.39e-04 | kPa | 320.12 | Thermoc... |
| Pvap | 1.39e-04 | kPa | 320.12 | Thermoc... |
| Pvap | 1.80e-04 | kPa | 322.28 | Thermoc... |
| Pvap | 1.80e-04 | kPa | 322.28 | Thermoc... |
| Pvap | 1.83e-04 | kPa | 322.28 | Thermoc... |
| Pvap | 2.29e-04 | kPa | 324.24 | Thermoc... |
| Pvap | 2.26e-04 | kPa | 324.24 | Thermoc... |
| Pvap | 2.22e-04 | kPa | 324.24 | Thermoc... |
| Pvap | 2.73e-04 | kPa | 326.12 | Thermoc... |
| Pvap | 2.78e-04 | kPa | 326.12 | Thermoc... |
| Pvap | 2.76e-04 | kPa | 326.12 | Thermoc... |
| Pvap | 3.55e-04 | kPa | 328.28 | Thermoc... |
| Pvap | 3.56e-04 | kPa | 328.28 | Thermoc... |
| Pvap | 3.41e-04 | kPa | 328.28 | Thermoc... |
| Pvap | 4.39e-04 | kPa | 330.22 | Thermoc... |
| Pvap | 4.27e-04 | kPa | 330.22 | Thermoc... |
| Pvap | 4.41e-04 | kPa | 330.22 | Thermoc... |
| Pvap | 5.40e-04 | kPa | 332.11 | Thermoc... |
| Pvap | 5.39e-04 | kPa | 332.11 | Thermoc... |
| Pvap | 5.39e-04 | kPa | 332.11 | Thermoc... |
| Pvap | 6.90e-04 | kPa | 334.28 | Thermoc... |
| Pvap | 7.00e-04 | kPa | 334.28 | Thermoc... |
| Pvap | 6.97e-04 | kPa | 334.28 | Thermoc... |
| Pvap | 8.59e-04 | kPa | 336.22 | Thermoc... |
| Pvap | 8.55e-04 | kPa | 336.22 | Thermoc... |
| Pvap | 8.43e-04 | kPa | 336.22 | Thermoc... |
| Pvap | 1.05e-03 | kPa | 338.11 | Thermoc... |
| Pvap | 1.05e-03 | kPa | 338.11 | Thermoc... |
| Pvap | 1.03e-03 | kPa | 338.11 | Thermoc... |
Similar Compounds
Find more compounds similar to 2-Thiophenecarboxylic acid, 5-methyl-.
Sources
- Crippen Method
- Crippen Method
- Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
- McGowan Method
- NIST Webbook
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