- InChI
- InChI=1S/C11H8N2O4/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
- VOVIUHCZEVLDNA-UHFFFAOYSA-N
- Formula
- C11H8N2O4
- SMILES
-
O=C(Nc1cccc([N+](=O)[O-])c1)c1
ccco1 - Molecular Weight1
- 232.19
- 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 | 0.7143 | Relay (1.0) Calculated Property | |
| ΔfG° | 137.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -104.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.440 | Crippen Calculated Property | |
| McVol | 157.470 | ml/mol | McGowan Calculated Property |
| Pc | 4495.91 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2164.00; 2164.00] |
|
|
| Inp | 2164.00 | NIST | |
| Inp | 2164.00 | NIST | |
| Tboil | 620.13 | K | Relay (1.0) Calculated Property |
| Tc | 949.88 | K | Relay (1.0) Calculated Property |
| Tfus | 425.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.577 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Furancarboxamide, 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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