- InChI
- InChI=1S/C15H19NO7/c1-2-21-14(17)4-3-5-15(18)23-11-10-22-13-8-6-12(7-9-13)16(19)20/h6-9H,2-5,10-11H2,1H3
- InChI Key
- MJXUKNBDJWQVPN-UHFFFAOYSA-N
- Formula
- C15H19NO7
- SMILES
-
CCOC(=O)CCCC(=O)OCCOc1ccc([N+]
(=O)[O-])cc1 - Molecular Weight1
- 325.31
- 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 | 0.9775 | Relay (1.0) Calculated Property | |
| ΔfG° | -359.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -856.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.250 | Crippen Calculated Property | |
| McVol | 236.620 | ml/mol | McGowan Calculated Property |
| Pc | 1966.56 | kPa | Joback Calculated Property |
| Inp | 2608.00 | NIST | |
| Tboil | 645.22 | K | Relay (1.0) Calculated Property |
| Tc | 861.44 | K | Relay (1.0) Calculated Property |
| Tfus | 338.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.870 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [724.14; 773.19] | J/mol×K | [901.10; 1124.19] | 
|
| Cp,gas | 724.14 | J/mol×K | 901.10 | Joback Calculated Property |
| Cp,gas | 735.42 | J/mol×K | 938.28 | Joback Calculated Property |
| Cp,gas | 745.45 | J/mol×K | 975.46 | Joback Calculated Property |
| Cp,gas | 754.25 | J/mol×K | 1012.65 | Joback Calculated Property |
| Cp,gas | 761.80 | J/mol×K | 1049.83 | Joback Calculated Property |
| Cp,gas | 768.11 | J/mol×K | 1087.01 | Joback Calculated Property |
| Cp,gas | 773.19 | J/mol×K | 1124.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl 2-(4-nitrophenoxy)ethyl ester.
Sources
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