- InChI
- InChI=1S/C7H8O2S/c1-9-7(8)5-6-3-2-4-10-6/h2-4H,5H2,1H3
- InChI Key
- KNKIXYMOHMYZJR-UHFFFAOYSA-N
- Formula
- C7H8O2S
- SMILES
- COC(=O)Cc1cccs1
- Molecular Weight1
- 156.20
- CAS
- 19432-68-9
- Other Names
-
- 2-Thiopheneacetic acid, methyl ester
- Methyl 2-thiopheneacetate
- Methyl thiophene-2-acetate
- methyl thiophen-2-acetate
- ω : Acentric Factor.
- Cp,liquid : Liquid 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).
- 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).
- 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 | 0.4185 | Relay (1.0) Calculated Property | |
| Cp,liquid | 249.80 | J/mol×K | Thermophysical properties of sulfur heterocycles: Thiane and thiophene derivatives |
| ΔfG° | -137.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -268.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.90 ± 1.40 | kJ/mol | NIST |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.464 | Crippen Calculated Property | |
| McVol | 113.820 | ml/mol | McGowan Calculated Property |
| Pc | 3542.17 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 482.86 | K | Relay (1.0) Calculated Property |
| Tc | 696.71 | K | Relay (1.0) Calculated Property |
| Tfus | 252.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.402 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2-thienylacetate.
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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