- InChI
- InChI=1S/C20H28N2O8/c1-3-4-5-6-7-11-29-19(23)9-8-10-20(24)30-14-16-12-17(21(25)26)13-18(15(16)2)22(27)28/h12-13H,3-11,14H2,1-2H3
- InChI Key
- OPDMKEVVHZIADM-UHFFFAOYSA-N
- Formula
- C20H28N2O8
- SMILES
-
CCCCCCCOC(=O)CCCC(=O)OCc1cc([N
+](=O)[O-])cc([N+](=O)[O-])c1C - Molecular Weight1
- 424.44
- 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 | 1.2246 | Relay (1.0) Calculated Property | |
| ΔfG° | -195.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -824.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.539 | Crippen Calculated Property | |
| McVol | 318.620 | ml/mol | McGowan Calculated Property |
| Pc | 1335.88 | kPa | Joback Calculated Property |
| Inp | 3173.00 | NIST | |
| Tboil | 671.65 | K | Relay (1.0) Calculated Property |
| Tc | 946.50 | K | Relay (1.0) Calculated Property |
| Tfus | 334.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.147 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1072.68; 1092.66] | J/mol×K | [1154.88; 1413.95] | 
|
| Cp,gas | 1072.68 | J/mol×K | 1154.88 | Joback Calculated Property |
| Cp,gas | 1080.09 | J/mol×K | 1198.06 | Joback Calculated Property |
| Cp,gas | 1085.75 | J/mol×K | 1241.24 | Joback Calculated Property |
| Cp,gas | 1089.71 | J/mol×K | 1284.41 | Joback Calculated Property |
| Cp,gas | 1092.00 | J/mol×K | 1327.59 | Joback Calculated Property |
| Cp,gas | 1092.66 | J/mol×K | 1370.77 | Joback Calculated Property |
| Cp,gas | 1091.75 | J/mol×K | 1413.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3,5-dinitro-2-methylbenzyl heptyl ester.
Sources
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