- InChI
- InChI=1S/C8H5Cl3O2/c9-5-1-3-6(4-2-5)13-8(12)7(10)11/h1-4,7H
- InChI Key
- XBXQIOFECZDDPP-UHFFFAOYSA-N
- Formula
- C8H5Cl3O2
- SMILES
- O=C(Oc1ccc(Cl)cc1)C(Cl)Cl
- Molecular Weight1
- 239.48
- 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° | -152.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -280.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.26 | kJ/mol | Joback Calculated Property |
| log10WS | -3.38 | Crippen Calculated Property | |
| logPoct/wat | 3.049 | Crippen Calculated Property | |
| McVol | 143.980 | ml/mol | McGowan Calculated Property |
| Pc | 3352.86 | kPa | Joback Calculated Property |
| Inp | [1481.00; 1481.00] |
|
|
| Inp | 1481.00 | NIST | |
| Inp | 1481.00 | NIST | |
| Tboil | 602.24 | K | Joback Calculated Property |
| Tc | 841.79 | K | Joback Calculated Property |
| Tfus | 365.78 | K | Joback Calculated Property |
| Vc | 0.540 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.21; 326.02] | J/mol×K | [602.24; 841.79] |
|
| Cp,gas | 281.21 | J/mol×K | 602.24 | Joback Calculated Property |
| Cp,gas | 290.36 | J/mol×K | 642.17 | Joback Calculated Property |
| Cp,gas | 298.82 | J/mol×K | 682.09 | Joback Calculated Property |
| Cp,gas | 306.60 | J/mol×K | 722.02 | Joback Calculated Property |
| Cp,gas | 313.71 | J/mol×K | 761.94 | Joback Calculated Property |
| Cp,gas | 320.18 | J/mol×K | 801.87 | Joback Calculated Property |
| Cp,gas | 326.02 | J/mol×K | 841.79 | Joback Calculated Property |
| η | [0.0002173; 0.0017930] | Pa×s | [365.78; 602.24] |
|
| η | 0.0017930 | Pa×s | 365.78 | Joback Calculated Property |
| η | 0.0010631 | Pa×s | 405.19 | Joback Calculated Property |
| η | 0.0006915 | Pa×s | 444.60 | Joback Calculated Property |
| η | 0.0004824 | Pa×s | 484.01 | Joback Calculated Property |
| η | 0.0003553 | Pa×s | 523.42 | Joback Calculated Property |
| η | 0.0002731 | Pa×s | 562.83 | Joback Calculated Property |
| η | 0.0002173 | Pa×s | 602.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dichloroacetic acid, 4-chlorophenyl ester.
Sources
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