- InChI
- InChI=1S/C16H20N2O8/c1-11(2)9-25-15(19)4-3-5-16(20)26-10-12-6-13(17(21)22)8-14(7-12)18(23)24/h6-8,11H,3-5,9-10H2,1-2H3
- InChI Key
- WCAZMUOLLKEYJY-UHFFFAOYSA-N
- Formula
- C16H20N2O8
- SMILES
-
CC(C)COC(=O)CCCC(=O)OCc1cc([N+
](=O)[O-])cc([N+](=O)[O-])c1 - Molecular Weight1
- 368.34
- 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° | -222.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -676.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.92 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 2.916 | Crippen Calculated Property | |
| McVol | 262.260 | ml/mol | McGowan Calculated Property |
| Pc | 1843.58 | kPa | Joback Calculated Property |
| Inp | [2756.00; 2756.00] |
|
|
| Inp | 2756.00 | NIST | |
| Inp | 2756.00 | NIST | |
| Tboil | 1057.94 | K | Joback Calculated Property |
| Tc | 1305.16 | K | Joback Calculated Property |
| Tfus | 738.08 | K | Joback Calculated Property |
| Vc | 1.030 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [841.71; 867.50] | J/mol×K | [1057.94; 1305.16] |
|
| Cp,gas | 841.71 | J/mol×K | 1057.94 | Joback Calculated Property |
| Cp,gas | 849.53 | J/mol×K | 1099.14 | Joback Calculated Property |
| Cp,gas | 855.90 | J/mol×K | 1140.35 | Joback Calculated Property |
| Cp,gas | 860.86 | J/mol×K | 1181.55 | Joback Calculated Property |
| Cp,gas | 864.43 | J/mol×K | 1222.76 | Joback Calculated Property |
| Cp,gas | 866.63 | J/mol×K | 1263.96 | Joback Calculated Property |
| Cp,gas | 867.50 | J/mol×K | 1305.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3,5-dinitrobenzyl isobutyl ester.
Sources
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