- InChI
- InChI=1S/C10H8N2O2/c1-7-4-5-9(12(13)14)10-8(7)3-2-6-11-10/h2-6H,1H3
- InChI Key
- PJUFTRGYNSXIDE-UHFFFAOYSA-N
- Formula
- C10H8N2O2
- SMILES
- Cc1ccc([N+](=O)[O-])c2ncccc12
- Molecular Weight1
- 188.18
- 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 | 0.5671 | Relay (1.0) Calculated Property | |
| ΔfG° | 289.84 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | 151.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.451 | Crippen Calculated Property | |
| McVol | 135.940 | ml/mol | McGowan Calculated Property |
| Pc | 3945.66 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Inp | [285.19; 288.56] |
|
|
| Inp | 288.56 | NIST | |
| Inp | 285.19 | NIST | |
| Inp | 288.52 | NIST | |
| Inp | 287.84 | NIST | |
| Tboil | 597.76 | K | Relay (1.0) Calculated Property |
| Tc | 893.83 | K | Relay (1.0) Calculated Property |
| Tfus | 375.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.488 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-nitro-8-methylquinoline.
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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