- InChI
- InChI=1S/C11H6Cl2O2S/c12-8-4-3-7(6-9(8)13)15-11(14)10-2-1-5-16-10/h1-6H
- InChI Key
- BTWJLTDNAKWSDS-UHFFFAOYSA-N
- Formula
- C11H6Cl2O2S
- SMILES
- O=C(Oc1ccc(Cl)c(Cl)c1)c1cccs1
- Molecular Weight1
- 273.13
- 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 | 0.6028 | Relay (1.0) Calculated Property | |
| ΔfG° | -113.81 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -208.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.274 | Crippen Calculated Property | |
| McVol | 170.900 | ml/mol | McGowan Calculated Property |
| Pc | 3167.64 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2025.00; 2025.00] |
|
|
| Inp | 2025.00 | NIST | |
| Inp | 2025.00 | NIST | |
| Tboil | 608.23 | K | Relay (1.0) Calculated Property |
| Tc | 890.67 | K | Relay (1.0) Calculated Property |
| Tfus | 336.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.613 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Thiophenecarboxylic 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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