- InChI
- InChI=1S/C19H26N2O8/c1-2-3-4-5-6-10-28-18(22)8-7-9-19(23)29-14-15-11-16(20(24)25)13-17(12-15)21(26)27/h11-13H,2-10,14H2,1H3
- InChI Key
- MFZUQHPZOWODPV-UHFFFAOYSA-N
- Formula
- C19H26N2O8
- SMILES
-
CCCCCCCOC(=O)CCCC(=O)OCc1cc([N
+](=O)[O-])cc([N+](=O)[O-])c1 - Molecular Weight1
- 410.42
- 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° | -194.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -733.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.98 | kJ/mol | Joback Calculated Property |
| log10WS | -6.40 | Crippen Calculated Property | |
| logPoct/wat | 4.230 | Crippen Calculated Property | |
| McVol | 304.530 | ml/mol | McGowan Calculated Property |
| Pc | 1451.25 | kPa | Joback Calculated Property |
| Inp | [3105.00; 3105.00] |
|
|
| Inp | 3105.00 | NIST | |
| Inp | 3105.00 | NIST | |
| Tboil | 1127.02 | K | Joback Calculated Property |
| Tc | 1380.16 | K | Joback Calculated Property |
| Tfus | 786.89 | K | Joback Calculated Property |
| Vc | 1.204 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1016.07; 1040.28] | J/mol×K | [1127.02; 1380.16] |
|
| Cp,gas | 1016.07 | J/mol×K | 1127.02 | Joback Calculated Property |
| Cp,gas | 1023.91 | J/mol×K | 1169.21 | Joback Calculated Property |
| Cp,gas | 1030.17 | J/mol×K | 1211.40 | Joback Calculated Property |
| Cp,gas | 1034.89 | J/mol×K | 1253.59 | Joback Calculated Property |
| Cp,gas | 1038.12 | J/mol×K | 1295.78 | Joback Calculated Property |
| Cp,gas | 1039.90 | J/mol×K | 1337.97 | Joback Calculated Property |
| Cp,gas | 1040.28 | J/mol×K | 1380.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3,5-dinitrobenzyl heptyl ester.
Sources
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