- InChI
- InChI=1S/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H
- InChI Key
- CUPOOAWTRIURFT-UHFFFAOYSA-N
- Formula
- C5H3NS
- SMILES
- N#Cc1cccs1
- Molecular Weight1
- 109.15
- CAS
- 1003-31-2
- Other Names
-
- 2-Thenylcyanide
- 2-cyanothiophene
- Thiophene-2-carbonitrile
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔvapH° | 49.50 ± 1.10 | kJ/mol | NIST |
| IE | [9.83; 10.00] | eV |
|
| IE | 10.00 | eV | NIST |
| IE | 9.83 ± 0.05 | eV | NIST |
| logPoct/wat | 1.620 | Crippen Calculated Property | |
| McVol | 79.580 | ml/mol | McGowan Calculated Property |
| Tboil | 465.20 | K | NIST |
| Tfus | 278.00 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 49.50 | kJ/mol | 298.15 | Thermochemistry of substituted thiophenecarbonitrile derivatives |
Similar Compounds
Find more compounds similar to 2-Thiophenecarbonitrile.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Thermochemistry of substituted thiophenecarbonitrile derivatives
- McGowan Method
- NIST Webbook
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