- InChI
- InChI=1S/C20H20Cl2O4/c1-2-3-6-11-25-19(23)16-7-4-5-8-17(16)20(24)26-13-14-9-10-15(21)12-18(14)22/h4-5,7-10,12H,2-3,6,11,13H2,1H3
- InChI Key
- RKERMCHKBUQDRC-UHFFFAOYSA-N
- Formula
- C20H20Cl2O4
- SMILES
-
CCCCCOC(=O)c1ccccc1C(=O)OCc1cc
c(Cl)cc1Cl - Molecular Weight1
- 395.28
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.9351 | Relay (1.0) Calculated Property | |
| ΔfG° | -178.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -640.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.697 | Crippen Calculated Property | |
| McVol | 284.500 | ml/mol | McGowan Calculated Property |
| Pc | 1596.17 | kPa | Joback Calculated Property |
| Inp | [2709.00; 2709.00] |
|
|
| Inp | 2709.00 | NIST | |
| Inp | 2709.00 | NIST | |
| Tboil | 675.02 | K | Relay (1.0) Calculated Property |
| Tc | 932.54 | K | Relay (1.0) Calculated Property |
| Tfus | 299.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.032 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [823.06; 871.66] | J/mol×K | [952.74; 1185.41] |
|
| Cp,gas | 823.06 | J/mol×K | 952.74 | Joback Calculated Property |
| Cp,gas | 834.27 | J/mol×K | 991.52 | Joback Calculated Property |
| Cp,gas | 844.20 | J/mol×K | 1030.30 | Joback Calculated Property |
| Cp,gas | 852.87 | J/mol×K | 1069.08 | Joback Calculated Property |
| Cp,gas | 860.32 | J/mol×K | 1107.86 | Joback Calculated Property |
| Cp,gas | 866.57 | J/mol×K | 1146.64 | Joback Calculated Property |
| Cp,gas | 871.66 | J/mol×K | 1185.41 | Joback Calculated Property |
| η | [0.0000433; 0.0002844] | Pa×s | [609.72; 952.74] |
|
| η | 0.0002844 | Pa×s | 609.72 | Joback Calculated Property |
| η | 0.0001817 | Pa×s | 666.89 | Joback Calculated Property |
| η | 0.0001246 | Pa×s | 724.06 | Joback Calculated Property |
| η | 0.0000903 | Pa×s | 781.23 | Joback Calculated Property |
| η | 0.0000684 | Pa×s | 838.40 | Joback Calculated Property |
| η | 0.0000537 | Pa×s | 895.57 | Joback Calculated Property |
| η | 0.0000433 | Pa×s | 952.74 | Joback Calculated Property |
Similar Compounds
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Sources
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