- InChI
- InChI=1S/C18H12O4S/c19-17(20)15-13(11-7-3-1-4-8-11)14(16(23-15)18(21)22)12-9-5-2-6-10-12/h1-10H,(H,19,20)(H,21,22)
- InChI Key
- UHMRUNRNPULYJU-UHFFFAOYSA-N
- Formula
- C18H12O4S
- SMILES
-
O=C(O)c1sc(C(=O)O)c(-c2ccccc2)
c1-c1ccccc1 - Molecular Weight1
- 324.35
- CAS
- 19799-42-9
- 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 | 0.9921 | Relay (1.0) Calculated Property | |
| ΔfG° | -180.30 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -366.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 144.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.479 | Crippen Calculated Property | |
| McVol | 228.730 | ml/mol | McGowan Calculated Property |
| Pc | 2651.67 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 698.73 | K | Relay (1.0) Calculated Property |
| Tc | 1082.01 | K | Relay (1.0) Calculated Property |
| Tfus | 505.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.804 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dicarboxy-3,4-diphenyl-thiophene.
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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