- InChI
- InChI=1S/C20H20N2O8/c23-19(29-13-11-15-5-1-3-7-17(15)21(25)26)9-10-20(24)30-14-12-16-6-2-4-8-18(16)22(27)28/h1-8H,9-14H2
- InChI Key
- UEIXLFSAXGBMQM-UHFFFAOYSA-N
- Formula
- C20H20N2O8
- SMILES
-
O=C(CCC(=O)OCCc1ccccc1[N+](=O)
[O-])OCCc1ccccc1[N+](=O)[O-] - Molecular Weight1
- 416.38
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1169 | Relay (1.0) Calculated Property | |
| ΔfG° | -73.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -573.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.155 | Crippen Calculated Property | |
| McVol | 294.860 | ml/mol | McGowan Calculated Property |
| Pc | 1750.67 | kPa | Joback Calculated Property |
| Inp | [3340.00; 3340.00] |
|
|
| Inp | 3340.00 | NIST | |
| Inp | 3340.00 | NIST | |
| Tboil | 695.48 | K | Relay (1.0) Calculated Property |
| Tc | 1007.20 | K | Relay (1.0) Calculated Property |
| Tfus | 364.19 | K | Relay (1.0) Calculated Property |
| Vc | 1.046 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [951.64; 963.07] | J/mol×K | [1176.58; 1444.76] |
|
| Cp,gas | 951.64 | J/mol×K | 1176.58 | Joback Calculated Property |
| Cp,gas | 956.69 | J/mol×K | 1221.28 | Joback Calculated Property |
| Cp,gas | 960.22 | J/mol×K | 1265.97 | Joback Calculated Property |
| Cp,gas | 962.33 | J/mol×K | 1310.67 | Joback Calculated Property |
| Cp,gas | 963.07 | J/mol×K | 1355.37 | Joback Calculated Property |
| Cp,gas | 962.54 | J/mol×K | 1400.07 | Joback Calculated Property |
| Cp,gas | 960.80 | J/mol×K | 1444.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(2-nitrophenethyl) ester.
Sources
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