- InChI
- InChI=1S/C11H10N2O4/c1-16-9-6-8(13(14)15)10-7(11(9)17-2)4-3-5-12-10/h3-6H,1-2H3
- InChI Key
- HDOJSHDBNBHDIM-UHFFFAOYSA-N
- Formula
- C11H10N2O4
- SMILES
-
COc1cc([N+](=O)[O-])c2ncccc2c1
OC - Molecular Weight1
- 234.21
- CAS
- 5333-02-8
- 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 | 0.7028 | Relay (1.0) Calculated Property | |
| ΔfG° | 122.24 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -83.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.160 | Crippen Calculated Property | |
| McVol | 161.770 | ml/mol | McGowan Calculated Property |
| Pc | 3007.96 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Tboil | 622.58 | K | Relay (1.0) Calculated Property |
| Tc | 919.28 | K | Relay (1.0) Calculated Property |
| Tfus | 419.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.586 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5,6-Dimethoxy-8-nitro-quinoline.
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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