- InChI
- InChI=1S/C8H10O2S/c1-2-10-8(9)5-7-3-4-11-6-7/h3-4,6H,2,5H2,1H3
- InChI Key
- FZBNQIWPYCUPAP-UHFFFAOYSA-N
- Formula
- C8H10O2S
- SMILES
- CCOC(=O)Cc1ccsc1
- Molecular Weight1
- 170.23
- CAS
- 37784-63-7
- Other Names
-
- 3-Thiopheneacetic acid, ethyl ester
- Ethyl thiophene-3-acetate
- ethyl 3-thienylacetate
- 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).
- 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 | 0.4601 | Relay (1.0) Calculated Property | |
| ΔfG° | -155.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -314.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 63.20 ± 1.30 | kJ/mol | NIST |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.854 | Crippen Calculated Property | |
| McVol | 127.910 | ml/mol | McGowan Calculated Property |
| Pc | 2960.48 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 501.98 | K | Relay (1.0) Calculated Property |
| Tc | 714.87 | K | Relay (1.0) Calculated Property |
| Tfus | 245.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.458 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 3-thiopheneacetate.
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
- Calorimetric study of methyl and ethyl 2-thiophenecarboxylates and ethyl 2- and 3-thiopheneacetates
- McGowan Method
- NIST Webbook
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