- InChI
- InChI=1S/C5H2N2O2S/c6-3-4-1-2-5(10-4)7(8)9/h1-2H
- InChI Key
- FLYONFCGDKAMIH-UHFFFAOYSA-N
- Formula
- C5H2N2O2S
- SMILES
- N#Cc1ccc([N+](=O)[O-])s1
- Molecular Weight1
- 154.15
- CAS
- 16689-02-4
- 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 | 0.4942 | Relay (1.0) Calculated Property | |
| ΔfG° | 289.41 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 240.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.528 | Crippen Calculated Property | |
| McVol | 97.000 | ml/mol | McGowan Calculated Property |
| Pc | 4464.65 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 543.99 | K | Relay (1.0) Calculated Property |
| Tc | 805.47 | K | Relay (1.0) Calculated Property |
| Tfus | 391.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.341 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Nitrothiophene-2-carbonitrile.
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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