- InChI
- InChI=1S/C11H8N2O3S/c14-11(10-5-2-6-17-10)12-8-3-1-4-9(7-8)13(15)16/h1-7H,(H,12,14)
- InChI Key
- VFDHCXRHENGDQA-UHFFFAOYSA-N
- Formula
- C11H8N2O3S
- SMILES
-
O=C(Nc1cccc([N+](=O)[O-])c1)c1
cccs1 - Molecular Weight1
- 248.26
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6880 | Relay (1.0) Calculated Property | |
| ΔfG° | 229.63 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 23.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.909 | Crippen Calculated Property | |
| McVol | 167.950 | ml/mol | McGowan Calculated Property |
| Pc | 4523.44 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2435.00; 2435.00] |
|
|
| Inp | 2435.00 | NIST | |
| Inp | 2435.00 | NIST | |
| Tboil | 630.48 | K | Relay (1.0) Calculated Property |
| Tc | 971.60 | K | Relay (1.0) Calculated Property |
| Tfus | 436.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.582 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene-2-carboxamide, N-(3-nitrophenyl)-.
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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