- InChI
- InChI=1S/C21H30N2O8/c1-3-4-5-6-7-8-12-30-20(24)10-9-11-21(25)31-15-17-13-18(22(26)27)14-19(16(17)2)23(28)29/h13-14H,3-12,15H2,1-2H3
- InChI Key
- PPSIJDSAEHQFTG-UHFFFAOYSA-N
- Formula
- C21H30N2O8
- SMILES
-
CCCCCCCCOC(=O)CCCC(=O)OCc1cc([
N+](=O)[O-])cc([N+](=O)[O-])c1 C - Molecular Weight1
- 438.47
- 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 | 1.2617 | Relay (1.0) Calculated Property | |
| ΔfG° | -187.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -846.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.929 | Crippen Calculated Property | |
| McVol | 332.710 | ml/mol | McGowan Calculated Property |
| Pc | 1246.85 | kPa | Joback Calculated Property |
| Inp | 3274.00 | NIST | |
| Tboil | 678.59 | K | Relay (1.0) Calculated Property |
| Tc | 953.37 | K | Relay (1.0) Calculated Property |
| Tfus | 334.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.200 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1131.79; 1150.35] | J/mol×K | [1177.76; 1442.94] | 
|
| Cp,gas | 1131.79 | J/mol×K | 1177.76 | Joback Calculated Property |
| Cp,gas | 1139.10 | J/mol×K | 1221.96 | Joback Calculated Property |
| Cp,gas | 1144.56 | J/mol×K | 1266.15 | Joback Calculated Property |
| Cp,gas | 1148.22 | J/mol×K | 1310.35 | Joback Calculated Property |
| Cp,gas | 1150.14 | J/mol×K | 1354.55 | Joback Calculated Property |
| Cp,gas | 1150.35 | J/mol×K | 1398.75 | Joback Calculated Property |
| Cp,gas | 1148.93 | J/mol×K | 1442.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3,5-dinitro-2-methylbenzyl octyl ester.
Sources
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