- InChI
- InChI=1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H
- InChI Key
- SMHPLBXIVNQFBA-UHFFFAOYSA-N
- Formula
- C9H6N2O2
- SMILES
- O=[N+]([O-])c1ccc2ncccc2c1
- Molecular Weight1
- 174.16
- CAS
- 613-50-3
- Other Names
-
- 6-Nitroquinoline
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 | 0.5433 | Relay (1.0) Calculated Property | |
| ΔfG° | 289.80 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 181.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | 103.80 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 81.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.143 | Crippen Calculated Property | |
| McVol | 121.850 | ml/mol | McGowan Calculated Property |
| Pc | 4645.22 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [278.95; 283.16] |
|
|
| Inp | 282.49 | NIST | |
| Inp | 278.95 | NIST | |
| Inp | 283.16 | NIST | |
| Inp | 281.00 | NIST | |
| Inp | 282.49 | NIST | |
| Tboil | 589.69 | K | Relay (1.0) Calculated Property |
| Tc | 892.35 | K | Relay (1.0) Calculated Property |
| Tfus | 421.65 ± 1.00 | K | NIST |
| Vc | 0.440 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 101.50 ± 1.00 | kJ/mol | 343.00 | NIST |
Similar Compounds
Find more compounds similar to Quinoline, 6-nitro-.
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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