- InChI
- InChI=1S/C7H8OS/c1-6(8)5-7-3-2-4-9-7/h2-4H,5H2,1H3
- InChI Key
- FOWXQMONAFWJAD-UHFFFAOYSA-N
- Formula
- C7H8OS
- SMILES
- CC(=O)Cc1cccs1
- Molecular Weight1
- 140.20
- 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 | 0.3825 | Relay (1.0) Calculated Property | |
| ΔfG° | 8.26 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -93.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 50.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.880 | Crippen Calculated Property | |
| McVol | 107.950 | ml/mol | McGowan Calculated Property |
| Pc | 3776.89 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1140.00; 1140.00] |
|
|
| Inp | 1140.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Tboil | 483.10 | K | Relay (1.0) Calculated Property |
| Tc | 702.30 | K | Relay (1.0) Calculated Property |
| Tfus | 277.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1-(2-thienyl).
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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