- InChI
- InChI=1S/C18H24N2O8/c1-2-3-4-5-9-27-17(21)7-6-8-18(22)28-13-14-10-15(19(23)24)12-16(11-14)20(25)26/h10-12H,2-9,13H2,1H3
- InChI Key
- IDCDOONUCVEWKW-UHFFFAOYSA-N
- Formula
- C18H24N2O8
- SMILES
-
CCCCCCOC(=O)CCCC(=O)OCc1cc([N+
](=O)[O-])cc([N+](=O)[O-])c1 - Molecular Weight1
- 396.39
- 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 | 1.1683 | Relay (1.0) Calculated Property | |
| ΔfG° | -202.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -771.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.840 | Crippen Calculated Property | |
| McVol | 290.440 | ml/mol | McGowan Calculated Property |
| Pc | 1563.52 | kPa | Joback Calculated Property |
| Inp | 2995.00 | NIST | |
| Tboil | 655.59 | K | Relay (1.0) Calculated Property |
| Tc | 932.03 | K | Relay (1.0) Calculated Property |
| Tfus | 314.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.049 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [957.46; 982.68] | J/mol×K | [1104.14; 1353.67] | 
|
| Cp,gas | 957.46 | J/mol×K | 1104.14 | Joback Calculated Property |
| Cp,gas | 965.33 | J/mol×K | 1145.73 | Joback Calculated Property |
| Cp,gas | 971.67 | J/mol×K | 1187.32 | Joback Calculated Property |
| Cp,gas | 976.54 | J/mol×K | 1228.91 | Joback Calculated Property |
| Cp,gas | 979.97 | J/mol×K | 1270.49 | Joback Calculated Property |
| Cp,gas | 982.01 | J/mol×K | 1312.08 | Joback Calculated Property |
| Cp,gas | 982.68 | J/mol×K | 1353.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3,5-dinitrobenzyl hexyl ester.
Sources
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