- InChI
- InChI=1S/C6H5NS/c1-5-2-3-8-6(5)4-7/h2-3H,1H3
- InChI Key
- ALZHYEITUZEZMT-UHFFFAOYSA-N
- Formula
- C6H5NS
- SMILES
- Cc1ccsc1C#N
- Molecular Weight1
- 123.18
- CAS
- 55406-13-8
- Other Names
-
- 3-Methyl-2-thiophenecarbonitrile
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔvapH° | 54.40 ± 1.20 | kJ/mol | NIST |
| log10WS | -2.06 | Crippen Calculated Property | |
| logPoct/wat | 1.928 | Crippen Calculated Property | |
| McVol | 93.670 | ml/mol | McGowan Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 54.40 | kJ/mol | 298.15 | Thermoc... |
Similar Compounds
Find more compounds similar to 3-Methylthiophene-2-carbonitrile.
Sources
- Crippen Method
- Crippen Method
- Thermochemistry of substituted thiophenecarbonitrile derivatives
- McGowan Method
- NIST Webbook
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