- 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
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3217 | Relay (1.0) Calculated Property | |
| ΔfG° | 251.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 274.62 | kJ/mol | Relay (1.0) Calculated Property |
| 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 |
| log10WS | -1.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.620 | Crippen Calculated Property | |
| McVol | 79.580 | ml/mol | McGowan Calculated Property |
| Pc | 4715.79 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 465.20 | K | NIST |
| Tc | 713.20 | K | Relay (1.0) Calculated Property |
| Tfus | 278.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.284 | m3/kmol | Relay (1.0) Calculated Property |
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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