- InChI
- InChI=1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
- InChI Key
- YOSDTJYMDAEEAZ-UHFFFAOYSA-N
- Formula
- C7H8OS
- SMILES
- CC(=O)c1ccc(C)s1
- Molecular Weight1
- 140.20
- CAS
- 13679-74-8
- Other Names
-
- Methyl 5-methyl-2-thienyl ketone
- Ethanone, 1-(5-methyl-2-thienyl)-
- Ketone, methyl 5-methyl-2-thienyl
- 2-Methyl-5-acetylthiophene
- 1-(5-Methyl-2-thienyl)ethanone
- 5-Methyl-2-acetylthiophene
- Thiophene, 2-acetyl-5-methyl
- 1-(5-methyl-2-thienyl)ethan-1-one
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔvapH° | 62.00 ± 2.60 | kJ/mol | NIST |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 2.259 | Crippen Calculated Property | |
| McVol | 107.950 | ml/mol | McGowan Calculated Property |
| Inp | [1123.00; 1197.00] |
|
|
| Inp | 1157.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1145.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1174.00 | NIST | |
| Inp | 1185.00 | NIST | |
| I | [1836.00; 1914.00] |
|
|
| I | 1874.00 | NIST | |
| I | 1914.00 | NIST | |
| I | 1836.00 | NIST | |
| I | 1914.00 | NIST | |
| Tboil | [505.50; 505.70] | K |
|
| Tboil | 505.70 | K | NIST |
| Tboil | 505.50 ± 0.50 | K | NIST |
| Tfus | 298.00 | K | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [372.00; 372.20] | K | [1.00; 1.00] |
|
| Tboilr | 372.20 | K | 1.00 | NIST |
| Tboilr | 372.00 ± 1.00 | K | 1.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Acetyl-5-methylthiophene.
Sources
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