- InChI
- InChI=1S/C8H6N2O6/c1-5(11)16-8-3-2-6(9(12)13)4-7(8)10(14)15/h2-4H,1H3
- InChI Key
- CDMLJWCAUSWULM-UHFFFAOYSA-N
- Formula
- C8H6N2O6
- SMILES
-
CC(=O)Oc1ccc([N+](=O)[O-])cc1[
N+](=O)[O-] - Molecular Weight1
- 226.14
- CAS
- 4232-27-3
- Other Names
-
- 2,4-Dinitrophenyl acetate
- Phenol, 2,4-dinitro-, acetate
- 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° | -53.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -261.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.34 | kJ/mol | Joback Calculated Property |
| log10WS | -3.09 | Crippen Calculated Property | |
| logPoct/wat | 1.428 | Crippen Calculated Property | |
| McVol | 142.100 | ml/mol | McGowan Calculated Property |
| Pc | 3834.03 | kPa | Joback Calculated Property |
| Tboil | 799.05 | K | Joback Calculated Property |
| Tc | 1065.57 | K | Joback Calculated Property |
| Tfus | 590.76 | K | Joback Calculated Property |
| Vc | 0.564 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [376.07; 413.57] | J/mol×K | [799.05; 1065.57] | 
|
| Cp,gas | 376.07 | J/mol×K | 799.05 | Joback Calculated Property |
| Cp,gas | 384.68 | J/mol×K | 843.47 | Joback Calculated Property |
| Cp,gas | 392.33 | J/mol×K | 887.89 | Joback Calculated Property |
| Cp,gas | 399.02 | J/mol×K | 932.31 | Joback Calculated Property |
| Cp,gas | 404.78 | J/mol×K | 976.73 | Joback Calculated Property |
| Cp,gas | 409.62 | J/mol×K | 1021.15 | Joback Calculated Property |
| Cp,gas | 413.57 | J/mol×K | 1065.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,4-dinitro-, acetate (ester).
Sources
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