- InChI
- InChI=1S/C6H4O2S/c7-3-5-1-2-6(4-8)9-5/h1-4H
- InChI Key
- OTMRXENQDSQACG-UHFFFAOYSA-N
- Formula
- C6H4O2S
- SMILES
- O=Cc1ccc(C=O)s1
- Molecular Weight1
- 140.16
- CAS
- 932-95-6
- Other Names
-
- 2,5-Diformylthiophene
- 2,5-Thiophenedial
- 2,5-Thiophenedicarbaldehyde
- Thiophene-2,5-dicarbaldehyde
- 2,5-Diformylthiophen
- 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.
- I : 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 | 0.4446 | Relay (1.0) Calculated Property | |
| ΔfG° | -121.12 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -158.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 71.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.373 | Crippen Calculated Property | |
| McVol | 95.430 | ml/mol | McGowan Calculated Property |
| Pc | 5326.12 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1220.00 | NIST | |
| I | 1833.00 | NIST | |
| Tboil | 526.27 | K | Relay (1.0) Calculated Property |
| Tc | 766.88 | K | Relay (1.0) Calculated Property |
| Tfus | 381.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.338 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Thiophenedicarboxaldehyde.
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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