- InChI
- InChI=1S/C14H15Cl3O4/c15-11-6-4-10(5-7-11)8-20-13(18)2-1-3-14(19)21-9-12(16)17/h4-7,12H,1-3,8-9H2
- InChI Key
- ADVCWFNLFATVFI-UHFFFAOYSA-N
- Formula
- C14H15Cl3O4
- SMILES
-
O=C(CCCC(=O)OCC(Cl)Cl)OCc1ccc(
Cl)cc1 - Molecular Weight1
- 353.62
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -336.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -649.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.77 | kJ/mol | Joback Calculated Property |
| log10WS | -4.60 | Crippen Calculated Property | |
| logPoct/wat | 3.900 | Crippen Calculated Property | |
| McVol | 235.960 | ml/mol | McGowan Calculated Property |
| Pc | 1963.07 | kPa | Joback Calculated Property |
| Inp | [2445.00; 2445.00] |
|
|
| Inp | 2445.00 | NIST | |
| Inp | 2445.00 | NIST | |
| Tboil | 815.81 | K | Joback Calculated Property |
| Tc | 1035.01 | K | Joback Calculated Property |
| Tfus | 505.56 | K | Joback Calculated Property |
| Vc | 0.900 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [613.50; 666.65] | J/mol×K | [815.81; 1035.01] |
|
| Cp,gas | 613.50 | J/mol×K | 815.81 | Joback Calculated Property |
| Cp,gas | 624.75 | J/mol×K | 852.34 | Joback Calculated Property |
| Cp,gas | 635.03 | J/mol×K | 888.88 | Joback Calculated Property |
| Cp,gas | 644.34 | J/mol×K | 925.41 | Joback Calculated Property |
| Cp,gas | 652.70 | J/mol×K | 961.95 | Joback Calculated Property |
| Cp,gas | 660.14 | J/mol×K | 998.48 | Joback Calculated Property |
| Cp,gas | 666.65 | J/mol×K | 1035.01 | Joback Calculated Property |
| η | [0.0000759; 0.0006721] | Pa×s | [505.56; 815.81] |
|
| η | 0.0006721 | Pa×s | 505.56 | Joback Calculated Property |
| η | 0.0003947 | Pa×s | 557.27 | Joback Calculated Property |
| η | 0.0002538 | Pa×s | 608.98 | Joback Calculated Property |
| η | 0.0001748 | Pa×s | 660.68 | Joback Calculated Property |
| η | 0.0001272 | Pa×s | 712.39 | Joback Calculated Property |
| η | 0.0000965 | Pa×s | 764.10 | Joback Calculated Property |
| η | 0.0000759 | Pa×s | 815.81 | Joback Calculated Property |
Similar Compounds
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Sources
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