- InChI
- InChI=1S/C7H5NOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5H,3H2
- InChI Key
- XWWUQBHVRILEPB-UHFFFAOYSA-N
- Formula
- C7H5NOS
- SMILES
- N#CCC(=O)c1cccs1
- Molecular Weight1
- 151.19
- CAS
- 33898-90-7
- 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).
- 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 | 0.4884 | Relay (1.0) Calculated Property | |
| ΔfG° | 97.34 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 88.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.844 | Crippen Calculated Property | |
| McVol | 109.330 | ml/mol | McGowan Calculated Property |
| Pc | 3617.49 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 557.71 | K | Relay (1.0) Calculated Property |
| Tc | 783.67 | K | Relay (1.0) Calculated Property |
| Tfus | 397.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.385 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Thenoylacetonitrile.
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
- McGowan Method
- NIST Webbook
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