- InChI
- InChI=1S/C15H18N2O8/c1-2-6-24-14(18)4-3-5-15(19)25-10-11-7-12(16(20)21)9-13(8-11)17(22)23/h7-9H,2-6,10H2,1H3
- InChI Key
- PEUCQTHUFGKZQI-UHFFFAOYSA-N
- Formula
- C15H18N2O8
- SMILES
-
CCCOC(=O)CCCC(=O)OCc1cc([N+](=
O)[O-])cc([N+](=O)[O-])c1 - Molecular Weight1
- 354.31
- 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 | 1.0503 | Relay (1.0) Calculated Property | |
| ΔfG° | -228.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -705.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.670 | Crippen Calculated Property | |
| McVol | 248.170 | ml/mol | McGowan Calculated Property |
| Pc | 1991.21 | kPa | Joback Calculated Property |
| Inp | 2702.00 | NIST | |
| Tboil | 633.58 | K | Relay (1.0) Calculated Property |
| Tc | 907.40 | K | Relay (1.0) Calculated Property |
| Tfus | 321.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.892 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [784.03; 811.02] | J/mol×K | [1035.50; 1280.58] | 
|
| Cp,gas | 784.03 | J/mol×K | 1035.50 | Joback Calculated Property |
| Cp,gas | 791.86 | J/mol×K | 1076.35 | Joback Calculated Property |
| Cp,gas | 798.34 | J/mol×K | 1117.19 | Joback Calculated Property |
| Cp,gas | 803.47 | J/mol×K | 1158.04 | Joback Calculated Property |
| Cp,gas | 807.27 | J/mol×K | 1198.89 | Joback Calculated Property |
| Cp,gas | 809.78 | J/mol×K | 1239.74 | Joback Calculated Property |
| Cp,gas | 811.02 | J/mol×K | 1280.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3,5-dinitrobenzyl propyl ester.
Sources
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