- InChI
- InChI=1S/C18H16N2O8/c21-17(27-11-13-1-5-15(6-2-13)19(23)24)9-10-18(22)28-12-14-3-7-16(8-4-14)20(25)26/h1-8H,9-12H2
- InChI Key
- CTSIAVDIJRBHQL-UHFFFAOYSA-N
- Formula
- C18H16N2O8
- SMILES
-
O=C(CCC(=O)OCc1ccc([N+](=O)[O-
])cc1)OCc1ccc([N+](=O)[O-])cc1 - Molecular Weight1
- 388.33
- 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° | -90.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.03 | kJ/mol | Joback Calculated Property |
| log10WS | -5.58 | Crippen Calculated Property | |
| logPoct/wat | 3.070 | Crippen Calculated Property | |
| McVol | 266.680 | ml/mol | McGowan Calculated Property |
| Pc | 2069.88 | kPa | Joback Calculated Property |
| Inp | [3352.00; 3352.00] |
|
|
| Inp | 3352.00 | NIST | |
| Inp | 3352.00 | NIST | |
| Tboil | 1130.82 | K | Joback Calculated Property |
| Tc | 1397.42 | K | Joback Calculated Property |
| Tfus | 802.04 | K | Joback Calculated Property |
| Vc | 1.040 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [836.51; 848.42] | J/mol×K | [1130.82; 1397.42] |
|
| Cp,gas | 836.51 | J/mol×K | 1130.82 | Joback Calculated Property |
| Cp,gas | 841.63 | J/mol×K | 1175.25 | Joback Calculated Property |
| Cp,gas | 845.28 | J/mol×K | 1219.69 | Joback Calculated Property |
| Cp,gas | 847.53 | J/mol×K | 1264.12 | Joback Calculated Property |
| Cp,gas | 848.42 | J/mol×K | 1308.55 | Joback Calculated Property |
| Cp,gas | 848.04 | J/mol×K | 1352.99 | Joback Calculated Property |
| Cp,gas | 846.43 | J/mol×K | 1397.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(4-nitrobenzyl) ester.
Sources
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