- InChI
- InChI=1S/C7H4BrNO4/c8-5-1-4(3-10)7(11)6(2-5)9(12)13/h1-3,11H
- InChI Key
- YEYPSUQQZNDKDE-UHFFFAOYSA-N
- Formula
- C7H4BrNO4
- SMILES
- O=Cc1cc(Br)cc([N+](=O)[O-])c1O
- Molecular Weight1
- 246.01
- CAS
- 16634-88-1
- Other Names
-
- Salicylaldehyde, 5-bromo-3-nitro-
- 3-Nitro-5-bromosalicylaldehyde
- 5-Bromo-2-hydroxy-3-nitrobenzaldehyde
- 5-Bromo-3-nitrosalicylaldehyde
- 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 | 0.6919 | Relay (... Calculated Property | |
| ΔfG° | -103.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -211.94 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.85 | kJ/mol | Relay (... Calculated Property |
| IE | 9.25 | eV | Relay (... Calculated Property |
| log10WS | -3.16 | Relay (... Calculated Property | |
| logPoct/wat | 1.875 | Crippen Calculated Property | |
| McVol | 128.090 | ml/mol | McGowan Calculated Property |
| Pc | 6056.11 | kPa | Joback Calculated Property |
| Tboil | 559.37 | K | Relay (... Calculated Property |
| Tc | 902.79 | K | Relay (... Calculated Property |
| Tfus | 370.91 | K | Relay (... Calculated Property |
| Vc | 0.426 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.26; 326.27] | J/mol×K | [743.48; 1014.70] | 
|
| Cp,gas | 290.26 | J/mol×K | 743.48 | Joback Calculated Property |
| Cp,gas | 296.88 | J/mol×K | 788.68 | Joback Calculated Property |
| Cp,gas | 303.09 | J/mol×K | 833.89 | Joback Calculated Property |
| Cp,gas | 308.99 | J/mol×K | 879.09 | Joback Calculated Property |
| Cp,gas | 314.74 | J/mol×K | 924.30 | Joback Calculated Property |
| Cp,gas | 320.46 | J/mol×K | 969.50 | Joback Calculated Property |
| Cp,gas | 326.27 | J/mol×K | 1014.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzaldehyde, 5-bromo-2-hydroxy-3-nitro-.
Sources
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