- InChI
- InChI=1S/C14H16N2O8/c1-2-23-13(17)4-3-5-14(18)24-9-10-6-11(15(19)20)8-12(7-10)16(21)22/h6-8H,2-5,9H2,1H3
- InChI Key
- KNSZIBLOECSYTK-UHFFFAOYSA-N
- Formula
- C14H16N2O8
- SMILES
-
CCOC(=O)CCCC(=O)OCc1cc([N+](=O
)[O-])cc([N+](=O)[O-])c1 - Molecular Weight1
- 340.29
- 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 | 1.0049 | Relay (1.0) Calculated Property | |
| ΔfG° | -236.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -689.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.280 | Crippen Calculated Property | |
| McVol | 234.080 | ml/mol | McGowan Calculated Property |
| Pc | 2173.43 | kPa | Joback Calculated Property |
| Inp | 2608.00 | NIST | |
| Tboil | 626.38 | K | Relay (1.0) Calculated Property |
| Tc | 903.57 | K | Relay (1.0) Calculated Property |
| Tfus | 330.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.838 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [727.17; 754.29] | J/mol×K | [1012.62; 1258.17] | 
|
| Cp,gas | 727.17 | J/mol×K | 1012.62 | Joback Calculated Property |
| Cp,gas | 734.95 | J/mol×K | 1053.54 | Joback Calculated Property |
| Cp,gas | 741.40 | J/mol×K | 1094.47 | Joback Calculated Property |
| Cp,gas | 746.54 | J/mol×K | 1135.39 | Joback Calculated Property |
| Cp,gas | 750.40 | J/mol×K | 1176.32 | Joback Calculated Property |
| Cp,gas | 752.97 | J/mol×K | 1217.24 | Joback Calculated Property |
| Cp,gas | 754.29 | J/mol×K | 1258.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3,5-dinitrobenzyl ethyl ester.
Sources
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