- InChI
- InChI=1S/C17H22N2O8/c1-11(2)9-26-16(20)5-4-6-17(21)27-10-13-7-14(18(22)23)8-15(12(13)3)19(24)25/h7-8,11H,4-6,9-10H2,1-3H3
- InChI Key
- HAADFHKFJZFNJA-UHFFFAOYSA-N
- Formula
- C17H22N2O8
- SMILES
-
Cc1c(COC(=O)CCCC(=O)OCC(C)C)cc
([N+](=O)[O-])cc1[N+](=O)[O-] - Molecular Weight1
- 382.37
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -223.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.80 | kJ/mol | Joback Calculated Property |
| log10WS | -5.38 | Crippen Calculated Property | |
| logPoct/wat | 3.224 | Crippen Calculated Property | |
| McVol | 276.350 | ml/mol | McGowan Calculated Property |
| Pc | 1679.66 | kPa | Joback Calculated Property |
| Inp | 2832.00 | NIST | |
| Tboil | 1085.80 | K | Joback Calculated Property |
| Tc | 1334.96 | K | Joback Calculated Property |
| Tfus | 761.87 | K | Joback Calculated Property |
| Vc | 1.085 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [897.37; 919.74] | J/mol×K | [1085.80; 1334.96] | 
|
| Cp,gas | 897.37 | J/mol×K | 1085.80 | Joback Calculated Property |
| Cp,gas | 904.91 | J/mol×K | 1127.33 | Joback Calculated Property |
| Cp,gas | 910.90 | J/mol×K | 1168.85 | Joback Calculated Property |
| Cp,gas | 915.35 | J/mol×K | 1210.38 | Joback Calculated Property |
| Cp,gas | 918.29 | J/mol×K | 1251.90 | Joback Calculated Property |
| Cp,gas | 919.74 | J/mol×K | 1293.43 | Joback Calculated Property |
| Cp,gas | 919.73 | J/mol×K | 1334.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3,5-dinitro-2-methylbenzyl isobutyl ester.
Sources
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