- InChI
- InChI=1S/C20H28N2O8/c1-2-3-4-5-6-7-8-11-29-19(23)9-10-20(24)30-15-16-12-17(21(25)26)14-18(13-16)22(27)28/h12-14H,2-11,15H2,1H3
- InChI Key
- ZPVYPHCNSAPBGY-UHFFFAOYSA-N
- Formula
- C20H28N2O8
- SMILES
-
CCCCCCCCCOC(=O)CCC(=O)OCc1cc([
N+](=O)[O-])cc([N+](=O)[O-])c1 - Molecular Weight1
- 424.44
- 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° | -186.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -753.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.21 | kJ/mol | Joback Calculated Property |
| log10WS | -6.82 | Crippen Calculated Property | |
| logPoct/wat | 4.620 | Crippen Calculated Property | |
| McVol | 318.620 | ml/mol | McGowan Calculated Property |
| Pc | 1350.65 | kPa | Joback Calculated Property |
| Inp | [3158.00; 3158.00] |
|
|
| Inp | 3158.00 | NIST | |
| Inp | 3158.00 | NIST | |
| Tboil | 1149.90 | K | Joback Calculated Property |
| Tc | 1407.83 | K | Joback Calculated Property |
| Tfus | 798.16 | K | Joback Calculated Property |
| Vc | 1.260 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1075.02; 1098.02] | J/mol×K | [1149.90; 1407.83] |
|
| Cp,gas | 1075.02 | J/mol×K | 1149.90 | Joback Calculated Property |
| Cp,gas | 1082.82 | J/mol×K | 1192.89 | Joback Calculated Property |
| Cp,gas | 1088.96 | J/mol×K | 1235.88 | Joback Calculated Property |
| Cp,gas | 1093.50 | J/mol×K | 1278.86 | Joback Calculated Property |
| Cp,gas | 1096.48 | J/mol×K | 1321.85 | Joback Calculated Property |
| Cp,gas | 1097.97 | J/mol×K | 1364.84 | Joback Calculated Property |
| Cp,gas | 1098.02 | J/mol×K | 1407.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3,5-dinitrobenzyl nonyl ester.
Sources
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