- InChI
- InChI=1S/C17H12Cl3NO6/c18-10-8-11(19)17(12(20)9-10)27-16(23)7-3-6-15(22)26-14-5-2-1-4-13(14)21(24)25/h1-2,4-5,8-9H,3,6-7H2
- InChI Key
- PMFZTSVNEANZQA-UHFFFAOYSA-N
- Formula
- C17H12Cl3NO6
- SMILES
-
O=C(CCCC(=O)Oc1c(Cl)cc(Cl)cc1C
l)Oc1ccccc1[N+](=O)[O-] - Molecular Weight1
- 432.64
- 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 | 0.9900 | Relay (1.0) Calculated Property | |
| ΔfG° | -189.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -582.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.236 | Crippen Calculated Property | |
| McVol | 271.890 | ml/mol | McGowan Calculated Property |
| Pc | 1966.56 | kPa | Joback Calculated Property |
| Inp | [3190.00; 3190.00] |
|
|
| Inp | 3190.00 | NIST | |
| Inp | 3190.00 | NIST | |
| Tboil | 660.44 | K | Relay (1.0) Calculated Property |
| Tc | 1009.07 | K | Relay (1.0) Calculated Property |
| Tfus | 353.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.956 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [746.10; 758.40] | J/mol×K | [1078.35; 1338.62] |
|
| Cp,gas | 746.10 | J/mol×K | 1078.35 | Joback Calculated Property |
| Cp,gas | 751.22 | J/mol×K | 1121.73 | Joback Calculated Property |
| Cp,gas | 754.96 | J/mol×K | 1165.11 | Joback Calculated Property |
| Cp,gas | 757.34 | J/mol×K | 1208.48 | Joback Calculated Property |
| Cp,gas | 758.40 | J/mol×K | 1251.86 | Joback Calculated Property |
| Cp,gas | 758.16 | J/mol×K | 1295.24 | Joback Calculated Property |
| Cp,gas | 756.66 | J/mol×K | 1338.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl 2-nitrophenyl ester.
Sources
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