- InChI
- InChI=1S/C13H12O3S/c1-15-10-4-6-11(7-5-10)16-13(14)9-12-3-2-8-17-12/h2-8H,9H2,1H3
- InChI Key
- WTFWDIWIBJVIQV-UHFFFAOYSA-N
- Formula
- C13H12O3S
- SMILES
- COc1ccc(OC(=O)Cc2cccs2)cc1
- Molecular Weight1
- 248.30
- ω : Acentric Factor.
- 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).
- 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 | 0.6433 | Relay (1.0) Calculated Property | |
| ΔfG° | -143.81 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -295.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.905 | Crippen Calculated Property | |
| McVol | 180.470 | ml/mol | McGowan Calculated Property |
| Pc | 2704.63 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1970.00 | NIST | |
| Tboil | 613.54 | K | Relay (1.0) Calculated Property |
| Tc | 852.97 | K | Relay (1.0) Calculated Property |
| Tfus | 341.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.653 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Thiopheneacetic acid, 4-methoxyphenyl ester.
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
- McGowan Method
- NIST Webbook
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