- InChI
- InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H
- InChI Key
- YHQDZJICGQWFHK-UHFFFAOYSA-N
- Formula
- C9H6N2O3
- SMILES
-
O=[N+]([O-])c1cc[n+]([O-])c2cc
ccc12 - Molecular Weight1
- 190.16
- CAS
- 56-57-5
- Other Names
-
- Nitrochin
- 4-Nitroquinoline oxide
- 4-Nitroquinoline N-oxide
- 4-Nitroquinoline 1-oxide
- 4-NQO
- 4-Nitrochinolin N-oxid
- NSC 19645
- 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 | 0.5686 | Relay (... Calculated Property | |
| ΔfG° | 320.09 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 199.42 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 82.24 | kJ/mol | Relay (... Calculated Property |
| IE | 8.44 | eV | Relay (... Calculated Property |
| log10WS | -2.92 | Relay (... Calculated Property | |
| logPoct/wat | 1.381 | Crippen Calculated Property | |
| McVol | 127.720 | ml/mol | McGowan Calculated Property |
| Pc | 4070.29 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [330.31; 331.55] |
|
|
| Inp | 330.31 | NIST | |
| Inp | 330.82 | NIST | |
| Inp | 331.55 | NIST | |
| Tboil | 590.74 | K | Relay (... Calculated Property |
| Tc | 895.56 | K | Relay (... Calculated Property |
| Tfus | 420.36 | K | Relay (... Calculated Property |
| Vc | 0.437 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Quinoline, 4-nitro-, 1-oxide.
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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