- InChI
- InChI=1S/C7H10S/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3
- InChI Key
- VOIVNYVBGCJFRW-UHFFFAOYSA-N
- Formula
- C7H10S
- SMILES
- CCc1ccc(C)s1
- Molecular Weight1
- 126.22
- CAS
- 40323-88-4
- Other Names
-
- 2-Methyl-5-ethyl-thiophene
- 2-Ethyl-5-methylthiophene
- 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.
- Tboil : Normal Boiling Point Temperature (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 |
|---|---|---|---|
| log10WS | -2.51 | Crippen Calculated Property | |
| logPoct/wat | 2.619 | Crippen Calculated Property | |
| McVol | 106.380 | ml/mol | McGowan Calculated Property |
| Inp | [944.00; 967.00] |
|
|
| Inp | 967.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 944.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 944.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 967.00 | NIST | |
| Tboil | [433.20; 433.30] | K |
|
| Tboil | 433.30 ± 2.00 | K | NIST |
| Tboil | 433.20 ± 1.50 | K | NIST |
| Tboil | 433.30 ± 1.50 | K | NIST |
| Tfus | [199.00; 204.70] | K |
|
| Tfus | 199.00 ± 1.00 | K | NIST |
| Tfus | 203.80 ± 1.50 | K | NIST |
| Tfus | 204.70 ± 0.80 | K | NIST |
Similar Compounds
Find more compounds similar to Thiophene, 2-ethyl-5-methyl-.
Sources
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