- InChI
- InChI=1S/C21H22N2O8/c24-20(30-14-12-16-6-1-3-8-18(16)22(26)27)10-5-11-21(25)31-15-13-17-7-2-4-9-19(17)23(28)29/h1-4,6-9H,5,10-15H2
- InChI Key
- XCMCYKQLHRWBCJ-UHFFFAOYSA-N
- Formula
- C21H22N2O8
- SMILES
-
O=C(CCCC(=O)OCCc1ccccc1[N+](=O
)[O-])OCCc1ccccc1[N+](=O)[O-] - Molecular Weight1
- 430.41
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -65.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -537.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.71 | kJ/mol | Joback Calculated Property |
| log10WS | -5.85 | Crippen Calculated Property | |
| logPoct/wat | 3.545 | Crippen Calculated Property | |
| McVol | 308.950 | ml/mol | McGowan Calculated Property |
| Pc | 1618.07 | kPa | Joback Calculated Property |
| Inp | 3560.00 | NIST | |
| Tboil | 1199.46 | K | Joback Calculated Property |
| Tc | 1470.14 | K | Joback Calculated Property |
| Tfus | 835.85 | K | Joback Calculated Property |
| Vc | 1.208 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1009.73; 1020.80] | J/mol×K | [1199.46; 1470.14] | 
|
| Cp,gas | 1009.73 | J/mol×K | 1199.46 | Joback Calculated Property |
| Cp,gas | 1014.72 | J/mol×K | 1244.57 | Joback Calculated Property |
| Cp,gas | 1018.17 | J/mol×K | 1289.69 | Joback Calculated Property |
| Cp,gas | 1020.17 | J/mol×K | 1334.80 | Joback Calculated Property |
| Cp,gas | 1020.80 | J/mol×K | 1379.91 | Joback Calculated Property |
| Cp,gas | 1020.14 | J/mol×K | 1425.03 | Joback Calculated Property |
| Cp,gas | 1018.29 | J/mol×K | 1470.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2-(2-nitrophenyl)ethyl) ester.
Sources
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