- InChI
- InChI=1S/C9H6N2O2/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8/h1-6H
- InChI Key
- NDDZXHOCOKCNBM-UHFFFAOYSA-N
- Formula
- C9H6N2O2
- SMILES
- O=[N+]([O-])c1cccc2ncccc12
- Molecular Weight1
- 174.16
- CAS
- 607-34-1
- Other Names
-
- 5-Nitroquinoline
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔsubH° | 94.20 ± 0.70 | kJ/mol | NIST |
| log10WS | -3.69 | Crippen Calculated Property | |
| logPoct/wat | 2.143 | Crippen Calculated Property | |
| McVol | 121.850 | ml/mol | McGowan Calculated Property |
| Inp | [264.98; 271.91] |
|
|
| Inp | 271.91 | NIST | |
| Inp | 264.98 | NIST | |
| Inp | 271.77 | NIST | |
| Inp | 270.15 | NIST | |
| Tfus | [343.00; 361.65] | K |
|
| Tfus | 343.00 ± 3.00 | K | NIST |
| Tfus | 361.65 ± 1.00 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 93.20 ± 0.70 | kJ/mol | 317.00 | NIST |
Similar Compounds
Find more compounds similar to Quinoline, 5-nitro-.
Sources
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