- InChI
- InChI=1S/C17H22N2O8/c1-2-3-4-8-26-16(20)6-5-7-17(21)27-12-13-9-14(18(22)23)11-15(10-13)19(24)25/h9-11H,2-8,12H2,1H3
- InChI Key
- BELHHHGMUYYKLS-UHFFFAOYSA-N
- Formula
- C17H22N2O8
- SMILES
-
CCCCCOC(=O)CCCC(=O)OCc1cc([N+]
(=O)[O-])cc([N+](=O)[O-])c1 - Molecular Weight1
- 382.37
- 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 | 1.1298 | Relay (1.0) Calculated Property | |
| ΔfG° | -211.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -749.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.450 | Crippen Calculated Property | |
| McVol | 276.350 | ml/mol | McGowan Calculated Property |
| Pc | 1689.34 | kPa | Joback Calculated Property |
| Inp | [2902.00; 2902.00] |
|
|
| Inp | 2902.00 | NIST | |
| Inp | 2902.00 | NIST | |
| Tboil | 647.77 | K | Relay (1.0) Calculated Property |
| Tc | 924.36 | K | Relay (1.0) Calculated Property |
| Tfus | 315.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.995 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [899.22; 925.24] | J/mol×K | [1081.26; 1328.28] |
|
| Cp,gas | 899.22 | J/mol×K | 1081.26 | Joback Calculated Property |
| Cp,gas | 907.10 | J/mol×K | 1122.43 | Joback Calculated Property |
| Cp,gas | 913.51 | J/mol×K | 1163.60 | Joback Calculated Property |
| Cp,gas | 918.50 | J/mol×K | 1204.77 | Joback Calculated Property |
| Cp,gas | 922.10 | J/mol×K | 1245.94 | Joback Calculated Property |
| Cp,gas | 924.33 | J/mol×K | 1287.11 | Joback Calculated Property |
| Cp,gas | 925.24 | J/mol×K | 1328.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3,5-dinitrobenzyl pentyl ester.
Sources
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