- InChI
- InChI=1S/C7H4N2O5/c10-4-5-1-2-6(8(11)12)3-7(5)9(13)14/h1-4H
- InChI Key
- ZILXIZUBLXVYPI-UHFFFAOYSA-N
- Formula
- C7H4N2O5
- SMILES
-
O=Cc1ccc([N+](=O)[O-])cc1[N+](
=O)[O-] - Molecular Weight1
- 196.12
- CAS
- 528-75-6
- Other Names
-
- Benzaldehyde, 2,4-dinitro-
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (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 | 0.6733 | Relay (... Calculated Property | |
| ΔfG° | 72.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -42.13 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.18 | kJ/mol | Calorim... |
| ΔvapH° | 80.28 | kJ/mol | Relay (... Calculated Property |
| IE | 10.67 | eV | Relay (... Calculated Property |
| log10WS | -2.66 | Relay (... Calculated Property | |
| logPoct/wat | 1.315 | Crippen Calculated Property | |
| McVol | 122.140 | ml/mol | McGowan Calculated Property |
| Pc | 4498.26 | kPa | Joback Calculated Property |
| Tboil | 554.27 | K | Relay (... Calculated Property |
| Tc | 874.14 | K | Relay (... Calculated Property |
| Tfus | 381.81 | K | Relay (... Calculated Property |
| Vc | 0.426 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [305.20; 341.00] | J/mol×K | [748.54; 1021.37] | 
|
| Cp,gas | 305.20 | J/mol×K | 748.54 | Joback Calculated Property |
| Cp,gas | 313.09 | J/mol×K | 794.01 | Joback Calculated Property |
| Cp,gas | 320.14 | J/mol×K | 839.48 | Joback Calculated Property |
| Cp,gas | 326.41 | J/mol×K | 884.95 | Joback Calculated Property |
| Cp,gas | 331.94 | J/mol×K | 930.43 | Joback Calculated Property |
| Cp,gas | 336.79 | J/mol×K | 975.90 | Joback Calculated Property |
| Cp,gas | 341.00 | J/mol×K | 1021.37 | Joback Calculated Property |
| ΔfusH | 21.18 | kJ/mol | 223.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 463.20 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to 2,4-Dinitrobenzaldehyde.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Calorimetric study and thermal analysis of crystalline 2,4-dinitrobenzaldehyde (C7H4N2O5)
- Joback Method
- McGowan Method
- NIST Webbook
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