- InChI
- InChI=1S/C6H5NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3H2
- InChI Key
- CLSHQIDDCJTHAJ-UHFFFAOYSA-N
- Formula
- C6H5NS
- SMILES
- N#CCc1cccs1
- Molecular Weight1
- 123.18
- CAS
- 20893-30-5
- Other Names
-
- 2-(Cyanomethyl)thiophene
- 2-Thienylacetonitrile
- Thiophene-2-acetonitrile
- 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).
- 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 |
|---|---|---|---|
| ΔvapH° | 60.50 ± 1.30 | kJ/mol | NIST |
| log10WS | -1.90 | Crippen Calculated Property | |
| logPoct/wat | 1.814 | Crippen Calculated Property | |
| McVol | 93.670 | ml/mol | McGowan Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 60.50 | kJ/mol | 298.15 | Thermoc... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 390.70 | K | 2.90 | NIST |
Similar Compounds
Find more compounds similar to 2-Thiopheneacetonitrile.
Sources
- Crippen Method
- Crippen Method
- Thermochemistry of substituted thiophenecarbonitrile derivatives
- McGowan Method
- NIST Webbook
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