- InChI
- InChI=1S/C12H8Cl2O2S/c13-10-4-3-8(6-11(10)14)16-12(15)7-9-2-1-5-17-9/h1-6H,7H2
- InChI Key
- BTHYDFCWZORZBJ-UHFFFAOYSA-N
- Formula
- C12H8Cl2O2S
- SMILES
- O=C(Cc1cccs1)Oc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 287.16
- 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 | 0.6022 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -228.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.203 | Crippen Calculated Property | |
| McVol | 184.990 | ml/mol | McGowan Calculated Property |
| Pc | 2860.90 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2077.00; 2077.00] |
|
|
| Inp | 2077.00 | NIST | |
| Inp | 2077.00 | NIST | |
| Tboil | 609.42 | K | Relay (1.0) Calculated Property |
| Tc | 890.57 | K | Relay (1.0) Calculated Property |
| Tfus | 330.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.658 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Thiopheneacetic acid, 3,4-dichlorophenyl 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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