- InChI
- InChI=1S/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3
- InChI Key
- MFPZQZZWAMAHOY-UHFFFAOYSA-N
- Formula
- C7H8OS
- SMILES
- CCC(=O)c1cccs1
- Molecular Weight1
- 140.20
- CAS
- 13679-75-9
- Other Names
-
- 2-Propionylthiophene
- Ethyl-2-thienylketone
- 1-Propanone, 1-(2-thienyl)-
- 1-thiophene-2-yl-propan-1-one
- 2-(1-propionyl)thiophene
- Thiophene, 2-propionyl
- 1 -(Thienyl)-1 -propanone
- 1-(2-Thienyl)propanone
- 1-(2-thienyl)propan-1-one
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -2.31 | Crippen Calculated Property | |
| logPoct/wat | 2.341 | Crippen Calculated Property | |
| McVol | 107.950 | ml/mol | McGowan Calculated Property |
| Inp | [1153.00; 1189.00] |
|
|
| Inp | 1181.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1166.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1188.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1181.00 | NIST | |
| Inp | 1189.00 | NIST | |
| I | [1821.00; 1842.00] |
|
|
| I | 1840.00 | NIST | |
| I | 1842.00 | NIST | |
| I | 1840.00 | NIST | |
| I | 1821.00 | NIST | |
| I | 1840.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 380.20 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to 1-(2-Thienyl)-1-propanone.
Sources
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