- InChI
- InChI=1S/C17H14N2O8/c20-16(26-14-8-3-1-6-12(14)18(22)23)10-5-11-17(21)27-15-9-4-2-7-13(15)19(24)25/h1-4,6-9H,5,10-11H2
- InChI Key
- JYMGOHDYCGYCDS-UHFFFAOYSA-N
- Formula
- C17H14N2O8
- SMILES
-
O=C(CCCC(=O)Oc1ccccc1[N+](=O)[
O-])Oc1ccccc1[N+](=O)[O-] - Molecular Weight1
- 374.30
- 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 | 1.0404 | Relay (1.0) Calculated Property | |
| ΔfG° | -98.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -515.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.184 | Crippen Calculated Property | |
| McVol | 252.590 | ml/mol | McGowan Calculated Property |
| Pc | 2263.26 | kPa | Joback Calculated Property |
| Inp | 3166.00 | NIST | |
| Tboil | 658.16 | K | Relay (1.0) Calculated Property |
| Tc | 996.64 | K | Relay (1.0) Calculated Property |
| Tfus | 381.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.892 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [779.53; 791.53] | J/mol×K | [1107.94; 1375.35] | 
|
| Cp,gas | 779.53 | J/mol×K | 1107.94 | Joback Calculated Property |
| Cp,gas | 784.66 | J/mol×K | 1152.51 | Joback Calculated Property |
| Cp,gas | 788.33 | J/mol×K | 1197.08 | Joback Calculated Property |
| Cp,gas | 790.60 | J/mol×K | 1241.64 | Joback Calculated Property |
| Cp,gas | 791.53 | J/mol×K | 1286.21 | Joback Calculated Property |
| Cp,gas | 791.17 | J/mol×K | 1330.78 | Joback Calculated Property |
| Cp,gas | 789.57 | J/mol×K | 1375.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2-nitrophenyl) ester.
Sources
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