- InChI
- InChI=1S/C11H12N2O7/c1-2-19-3-4-20-11(14)8-5-9(12(15)16)7-10(6-8)13(17)18/h5-7H,2-4H2,1H3
- InChI Key
- SCXGAVJIYIXEAJ-UHFFFAOYSA-N
- Formula
- C11H12N2O7
- SMILES
-
CCOCCOC(=O)c1cc([N+](=O)[O-])c
c([N+](=O)[O-])c1 - Molecular Weight1
- 284.22
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.8853 | Relay (... Calculated Property | |
| ΔfG° | -132.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -451.77 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 44.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.76 | kJ/mol | Relay (... Calculated Property |
| IE | 10.15 | eV | Relay (... Calculated Property |
| log10WS | -3.22 | Relay (... Calculated Property | |
| logPoct/wat | 1.696 | Crippen Calculated Property | |
| McVol | 190.240 | ml/mol | McGowan Calculated Property |
| Pc | 2712.67 | kPa | Joback Calculated Property |
| Inp | 2103.00 | NIST | |
| Tboil | 599.73 | K | Relay (... Calculated Property |
| Tc | 873.18 | K | Relay (... Calculated Property |
| Tfus | 314.43 | K | Relay (... Calculated Property |
| Vc | 0.670 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.05; 597.54] | J/mol×K | [890.11; 1137.51] | 
|
| Cp,gas | 558.05 | J/mol×K | 890.11 | Joback Calculated Property |
| Cp,gas | 567.52 | J/mol×K | 931.34 | Joback Calculated Property |
| Cp,gas | 575.82 | J/mol×K | 972.58 | Joback Calculated Property |
| Cp,gas | 582.97 | J/mol×K | 1013.81 | Joback Calculated Property |
| Cp,gas | 588.96 | J/mol×K | 1055.04 | Joback Calculated Property |
| Cp,gas | 593.82 | J/mol×K | 1096.28 | Joback Calculated Property |
| Cp,gas | 597.54 | J/mol×K | 1137.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethoxyethyl 3,5-dinitrobenzoate.
Sources
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