- InChI
- InChI=1S/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10H
- InChI Key
- XLYPHUGUKGMURE-UHFFFAOYSA-N
- Formula
- C7H5NO4
- SMILES
- O=Cc1cc(O)ccc1[N+](=O)[O-]
- Molecular Weight1
- 167.12
- CAS
- 42454-06-8
- Other Names
-
- 6-Nitro-3-hydroxybenzaldehyde
- Benzaldehyde, 5-hydroxy-2-nitro-
- 3-Formyl-4-nitrophenol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.6787 | Relay (... Calculated Property | |
| ΔfG° | -107.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -217.23 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.65 | kJ/mol | Relay (... Calculated Property |
| IE | 9.50 | eV | Relay (... Calculated Property |
| log10WS | -2.02 | Relay (... Calculated Property | |
| logPoct/wat | 1.113 | Crippen Calculated Property | |
| McVol | 110.590 | ml/mol | McGowan Calculated Property |
| Pc | 5577.49 | kPa | Joback Calculated Property |
| Tboil | 568.26 | K | Relay (... Calculated Property |
| Tc | 872.42 | K | Relay (... Calculated Property |
| Tfus | 384.91 | K | Relay (... Calculated Property |
| Vc | 0.373 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.69; 309.47] | J/mol×K | [672.34; 932.41] | 
|
| Cp,gas | 269.69 | J/mol×K | 672.34 | Joback Calculated Property |
| Cp,gas | 277.54 | J/mol×K | 715.68 | Joback Calculated Property |
| Cp,gas | 284.76 | J/mol×K | 759.03 | Joback Calculated Property |
| Cp,gas | 291.46 | J/mol×K | 802.37 | Joback Calculated Property |
| Cp,gas | 297.73 | J/mol×K | 845.72 | Joback Calculated Property |
| Cp,gas | 303.70 | J/mol×K | 889.06 | Joback Calculated Property |
| Cp,gas | 309.47 | J/mol×K | 932.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hydroxy-2-nitrobenzaldehyde.
Sources
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