- InChI
- InChI=1S/C17H13Cl2NO6/c18-11-5-3-8-14(17(11)19)26-16(22)10-4-9-15(21)25-13-7-2-1-6-12(13)20(23)24/h1-3,5-8H,4,9-10H2
- InChI Key
- REOVEUZWALQAAY-UHFFFAOYSA-N
- Formula
- C17H13Cl2NO6
- SMILES
-
O=C(CCCC(=O)Oc1cccc(Cl)c1Cl)Oc
1ccccc1[N+](=O)[O-] - Molecular Weight1
- 398.19
- 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 | 0.9581 | Relay (1.0) Calculated Property | |
| ΔfG° | -167.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -584.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.583 | Crippen Calculated Property | |
| McVol | 259.650 | ml/mol | McGowan Calculated Property |
| Pc | 2060.49 | kPa | Joback Calculated Property |
| Inp | [3117.00; 3117.00] |
|
|
| Inp | 3117.00 | NIST | |
| Inp | 3117.00 | NIST | |
| Tboil | 671.37 | K | Relay (1.0) Calculated Property |
| Tc | 997.50 | K | Relay (1.0) Calculated Property |
| Tfus | 355.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.922 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [734.75; 755.56] | J/mol×K | [1035.94; 1292.06] |
|
| Cp,gas | 734.75 | J/mol×K | 1035.94 | Joback Calculated Property |
| Cp,gas | 741.48 | J/mol×K | 1078.63 | Joback Calculated Property |
| Cp,gas | 746.86 | J/mol×K | 1121.31 | Joback Calculated Property |
| Cp,gas | 750.92 | J/mol×K | 1164.00 | Joback Calculated Property |
| Cp,gas | 753.70 | J/mol×K | 1206.68 | Joback Calculated Property |
| Cp,gas | 755.23 | J/mol×K | 1249.37 | Joback Calculated Property |
| Cp,gas | 755.56 | J/mol×K | 1292.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl 2-nitrophenyl ester.
Sources
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