- InChI
- InChI=1S/C8H6N2O6/c11-8(12)3-5-1-2-6(9(13)14)4-7(5)10(15)16/h1-2,4H,3H2,(H,11,12)
- InChI Key
- KCNISYPADDTFDO-UHFFFAOYSA-N
- Formula
- C8H6N2O6
- SMILES
-
O=C(O)Cc1ccc([N+](=O)[O-])cc1[
N+](=O)[O-] - Molecular Weight1
- 226.14
- CAS
- 643-43-6
- Other Names
-
- Acetic acid, 2,4-dinitrophenyl-
- 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 | 0.8919 | Relay (1.0) Calculated Property | |
| ΔfG° | -85.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -282.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.130 | Crippen Calculated Property | |
| McVol | 142.100 | ml/mol | McGowan Calculated Property |
| Pc | 4409.10 | kPa | Joback Calculated Property |
| Tboil | 564.80 | K | Relay (1.0) Calculated Property |
| Tc | 891.43 | K | Relay (1.0) Calculated Property |
| Tfus | 405.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.483 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.01; 418.96] | J/mol×K | [868.81; 1116.50] | 
|
| Cp,gas | 389.01 | J/mol×K | 868.81 | Joback Calculated Property |
| Cp,gas | 395.60 | J/mol×K | 910.09 | Joback Calculated Property |
| Cp,gas | 401.49 | J/mol×K | 951.37 | Joback Calculated Property |
| Cp,gas | 406.73 | J/mol×K | 992.66 | Joback Calculated Property |
| Cp,gas | 411.36 | J/mol×K | 1033.94 | Joback Calculated Property |
| Cp,gas | 415.43 | J/mol×K | 1075.22 | Joback Calculated Property |
| Cp,gas | 418.96 | J/mol×K | 1116.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dinitrophenylacetic acid.
Sources
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