- InChI
- InChI=1S/C18H16Cl2O4/c19-15-5-1-3-13(9-15)11-23-17(21)7-8-18(22)24-12-14-4-2-6-16(20)10-14/h1-6,9-10H,7-8,11-12H2
- InChI Key
- GUSHJPAYWBYVQE-UHFFFAOYSA-N
- Formula
- C18H16Cl2O4
- SMILES
-
O=C(CCC(=O)OCc1cccc(Cl)c1)OCc1
cccc(Cl)c1 - Molecular Weight1
- 367.22
- 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 | 0.8220 | Relay (1.0) Calculated Property | |
| ΔfG° | -185.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -585.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.560 | Crippen Calculated Property | |
| McVol | 256.320 | ml/mol | McGowan Calculated Property |
| Pc | 1896.95 | kPa | Joback Calculated Property |
| Inp | [2772.00; 2772.00] |
|
|
| Inp | 2772.00 | NIST | |
| Inp | 2772.00 | NIST | |
| Tboil | 656.27 | K | Relay (1.0) Calculated Property |
| Tc | 913.87 | K | Relay (1.0) Calculated Property |
| Tfus | 324.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.928 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [710.95; 759.86] | J/mol×K | [902.00; 1137.10] |
|
| Cp,gas | 710.95 | J/mol×K | 902.00 | Joback Calculated Property |
| Cp,gas | 722.05 | J/mol×K | 941.18 | Joback Calculated Property |
| Cp,gas | 731.92 | J/mol×K | 980.37 | Joback Calculated Property |
| Cp,gas | 740.60 | J/mol×K | 1019.55 | Joback Calculated Property |
| Cp,gas | 748.13 | J/mol×K | 1058.74 | Joback Calculated Property |
| Cp,gas | 754.54 | J/mol×K | 1097.92 | Joback Calculated Property |
| Cp,gas | 759.86 | J/mol×K | 1137.10 | Joback Calculated Property |
| η | [0.0000566; 0.0003880] | Pa×s | [574.66; 902.00] |
|
| η | 0.0003880 | Pa×s | 574.66 | Joback Calculated Property |
| η | 0.0002449 | Pa×s | 629.22 | Joback Calculated Property |
| η | 0.0001664 | Pa×s | 683.77 | Joback Calculated Property |
| η | 0.0001197 | Pa×s | 738.33 | Joback Calculated Property |
| η | 0.0000901 | Pa×s | 792.89 | Joback Calculated Property |
| η | 0.0000703 | Pa×s | 847.44 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 902.00 | Joback Calculated Property |
Similar Compounds
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Sources
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