- InChI
- InChI=1S/C13H15NO6/c1-2-19-12(15)4-3-5-13(16)20-11-8-6-10(7-9-11)14(17)18/h6-9H,2-5H2,1H3
- InChI Key
- ZBQMGEAUHNVSIM-UHFFFAOYSA-N
- Formula
- C13H15NO6
- SMILES
-
CCOC(=O)CCCC(=O)Oc1ccc([N+](=O
)[O-])cc1 - Molecular Weight1
- 281.26
- 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 | 0.8611 | Relay (1.0) Calculated Property | |
| ΔfG° | -270.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -690.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.234 | Crippen Calculated Property | |
| McVol | 202.570 | ml/mol | McGowan Calculated Property |
| Pc | 2388.85 | kPa | Joback Calculated Property |
| Inp | 2267.00 | NIST | |
| Tboil | 611.68 | K | Relay (1.0) Calculated Property |
| Tc | 843.78 | K | Relay (1.0) Calculated Property |
| Tfus | 350.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.736 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [587.32; 640.15] | J/mol×K | [832.92; 1060.93] | 
|
| Cp,gas | 587.32 | J/mol×K | 832.92 | Joback Calculated Property |
| Cp,gas | 598.77 | J/mol×K | 870.92 | Joback Calculated Property |
| Cp,gas | 609.15 | J/mol×K | 908.92 | Joback Calculated Property |
| Cp,gas | 618.46 | J/mol×K | 946.92 | Joback Calculated Property |
| Cp,gas | 626.72 | J/mol×K | 984.92 | Joback Calculated Property |
| Cp,gas | 633.95 | J/mol×K | 1022.93 | Joback Calculated Property |
| Cp,gas | 640.15 | J/mol×K | 1060.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl 4-nitrophenyl ester.
Sources
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