- InChI
- InChI=1S/C16H10N2O8/c19-15(25-13-5-1-11(2-6-13)17(21)22)9-10-16(20)26-14-7-3-12(4-8-14)18(23)24/h1-10H/b10-9+
- InChI Key
- ZLNCGIAXVWNFRX-MDZDMXLPSA-N
- Formula
- C16H10N2O8
- SMILES
-
O=C(C=CC(=O)Oc1ccc([N+](=O)[O-
])cc1)Oc1ccc([N+](=O)[O-])cc1 - Molecular Weight1
- 358.26
- 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° | -27.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -317.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.54 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 2.570 | Crippen Calculated Property | |
| McVol | 234.200 | ml/mol | McGowan Calculated Property |
| Pc | 2619.09 | kPa | Joback Calculated Property |
| Inp | [3135.00; 3135.00] |
|
|
| Inp | 3135.00 | NIST | |
| Inp | 3135.00 | NIST | |
| Tboil | 1089.22 | K | Joback Calculated Property |
| Tc | 1364.83 | K | Joback Calculated Property |
| Tfus | 774.42 | K | Joback Calculated Property |
| Vc | 0.907 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [692.96; 709.91] | J/mol×K | [1089.22; 1364.83] |
|
| Cp,gas | 692.96 | J/mol×K | 1089.22 | Joback Calculated Property |
| Cp,gas | 698.47 | J/mol×K | 1135.15 | Joback Calculated Property |
| Cp,gas | 702.80 | J/mol×K | 1181.09 | Joback Calculated Property |
| Cp,gas | 706.03 | J/mol×K | 1227.02 | Joback Calculated Property |
| Cp,gas | 708.23 | J/mol×K | 1272.96 | Joback Calculated Property |
| Cp,gas | 709.50 | J/mol×K | 1318.89 | Joback Calculated Property |
| Cp,gas | 709.91 | J/mol×K | 1364.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, di(4-nitrophenyl) ester.
Sources
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