- InChI
- InChI=1S/C7H4N2O6/c10-3-4-1-5(8(12)13)7(11)6(2-4)9(14)15/h1-3,11H
- InChI Key
- DFAVWLKOYKKDFX-UHFFFAOYSA-N
- Formula
- C7H4N2O6
- SMILES
-
O=Cc1cc([N+](=O)[O-])c(O)c([N+
](=O)[O-])c1 - Molecular Weight1
- 212.12
- CAS
- 52132-61-3
- Other Names
-
- Benzaldehyde, 4-hydroxy-3,5-dinitro-
- 4-hydroxy-3,5-dinitrobenzaldehyde
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -81.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.69 | kJ/mol | Joback Calculated Property |
| log10WS | -2.56 | Crippen Calculated Property | |
| logPoct/wat | 1.021 | Crippen Calculated Property | |
| McVol | 128.010 | ml/mol | McGowan Calculated Property |
| Pc | 5552.58 | kPa | Joback Calculated Property |
| Tboil | 829.16 | K | Joback Calculated Property |
| Tc | 1106.41 | K | Joback Calculated Property |
| Tfus | 661.05 | K | Joback Calculated Property |
| Vc | 0.467 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.50; 375.92] | J/mol×K | [829.16; 1106.41] | 
|
| Cp,gas | 337.50 | J/mol×K | 829.16 | Joback Calculated Property |
| Cp,gas | 344.40 | J/mol×K | 875.37 | Joback Calculated Property |
| Cp,gas | 350.92 | J/mol×K | 921.58 | Joback Calculated Property |
| Cp,gas | 357.21 | J/mol×K | 967.79 | Joback Calculated Property |
| Cp,gas | 363.39 | J/mol×K | 1013.99 | Joback Calculated Property |
| Cp,gas | 369.58 | J/mol×K | 1060.20 | Joback Calculated Property |
| Cp,gas | 375.92 | J/mol×K | 1106.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Dinitro-4-hydroxybenzaldehyde.
Sources
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