- InChI
- InChI=1S/C9H6OS2/c10-9(7-3-1-5-11-7)8-4-2-6-12-8/h1-6H
- InChI Key
- GUTQMBQKTSGBPQ-UHFFFAOYSA-N
- Formula
- C9H6OS2
- SMILES
- O=C(c1cccs1)c1cccs1
- Molecular Weight1
- 194.27
- CAS
- 704-38-1
- Other Names
-
- Methanone, di-2-thienyl-
- 2-Thienyl ketone
- 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 | 0.4497 | Relay (1.0) Calculated Property | |
| ΔfG° | 65.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 65.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.041 | Crippen Calculated Property | |
| McVol | 133.020 | ml/mol | McGowan Calculated Property |
| Pc | 3937.80 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 586.35 | K | Relay (1.0) Calculated Property |
| Tc | 816.69 | K | Relay (1.0) Calculated Property |
| Tfus | 363.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.478 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Di-2-thienyl ketone.
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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