- InChI
- InChI=1S/C19H18N2O8/c1-3-19(4-2,17(22)28-15-11-7-5-9-13(15)20(24)25)18(23)29-16-12-8-6-10-14(16)21(26)27/h5-12H,3-4H2,1-2H3
- InChI Key
- XLYAOZWMHOFPKC-UHFFFAOYSA-N
- Formula
- C19H18N2O8
- SMILES
-
CCC(CC)(C(=O)Oc1ccccc1[N+](=O)
[O-])C(=O)Oc1ccccc1[N+](=O)[O- ] - Molecular Weight1
- 402.35
- 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° | -79.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -505.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.96 | kJ/mol | Joback Calculated Property |
| log10WS | -6.06 | Crippen Calculated Property | |
| logPoct/wat | 3.820 | Crippen Calculated Property | |
| McVol | 280.770 | ml/mol | McGowan Calculated Property |
| Pc | 1932.13 | kPa | Joback Calculated Property |
| Inp | 2987.00 | NIST | |
| Tboil | 1150.47 | K | Joback Calculated Property |
| Tc | 1422.61 | K | Joback Calculated Property |
| Tfus | 815.73 | K | Joback Calculated Property |
| Vc | 1.085 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [895.86; 917.27] | J/mol×K | [1150.47; 1422.61] | 
|
| Cp,gas | 895.86 | J/mol×K | 1150.47 | Joback Calculated Property |
| Cp,gas | 902.04 | J/mol×K | 1195.83 | Joback Calculated Property |
| Cp,gas | 907.02 | J/mol×K | 1241.18 | Joback Calculated Property |
| Cp,gas | 910.93 | J/mol×K | 1286.54 | Joback Calculated Property |
| Cp,gas | 913.86 | J/mol×K | 1331.89 | Joback Calculated Property |
| Cp,gas | 915.94 | J/mol×K | 1377.25 | Joback Calculated Property |
| Cp,gas | 917.27 | J/mol×K | 1422.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(2-nitrophenyl) ester.
Sources
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