- InChI
- InChI=1S/C18H15Cl2NO6/c19-14-6-2-7-15(18(14)20)27-17(23)9-3-8-16(22)26-11-12-4-1-5-13(10-12)21(24)25/h1-2,4-7,10H,3,8-9,11H2
- InChI Key
- ACCSGQRHDZUARM-UHFFFAOYSA-N
- Formula
- C18H15Cl2NO6
- SMILES
-
O=C(CCCC(=O)Oc1cccc(Cl)c1Cl)OC
c1cccc([N+](=O)[O-])c1 - Molecular Weight1
- 412.22
- 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 | 0.9837 | Relay (1.0) Calculated Property | |
| ΔfG° | -159.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -594.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.721 | Crippen Calculated Property | |
| McVol | 273.740 | ml/mol | McGowan Calculated Property |
| Pc | 1892.00 | kPa | Joback Calculated Property |
| Inp | [3253.00; 3253.00] |
|
|
| Inp | 3253.00 | NIST | |
| Inp | 3253.00 | NIST | |
| Tboil | 685.35 | K | Relay (1.0) Calculated Property |
| Tc | 999.53 | K | Relay (1.0) Calculated Property |
| Tfus | 344.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.970 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [791.35; 812.26] | J/mol×K | [1058.82; 1313.59] |
|
| Cp,gas | 791.35 | J/mol×K | 1058.82 | Joback Calculated Property |
| Cp,gas | 798.13 | J/mol×K | 1101.28 | Joback Calculated Property |
| Cp,gas | 803.54 | J/mol×K | 1143.74 | Joback Calculated Property |
| Cp,gas | 807.62 | J/mol×K | 1186.20 | Joback Calculated Property |
| Cp,gas | 810.40 | J/mol×K | 1228.66 | Joback Calculated Property |
| Cp,gas | 811.94 | J/mol×K | 1271.13 | Joback Calculated Property |
| Cp,gas | 812.26 | J/mol×K | 1313.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl 3-nitrobenzyl ester.
Sources
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