- InChI
- InChI=1S/C9H8Cl2O3/c1-13-6-2-4-7(5-3-6)14-9(12)8(10)11/h2-5,8H,1H3
- InChI Key
- FYSUBKYBGWIHKT-UHFFFAOYSA-N
- Formula
- C9H8Cl2O3
- SMILES
- COc1ccc(OC(=O)C(Cl)Cl)cc1
- Molecular Weight1
- 235.06
- 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 | 0.5779 | Relay (1.0) Calculated Property | |
| ΔfG° | -237.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -451.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.404 | Crippen Calculated Property | |
| McVol | 151.700 | ml/mol | McGowan Calculated Property |
| Pc | 3076.16 | kPa | Joback Calculated Property |
| Inp | [1565.00; 1565.00] |
|
|
| Inp | 1565.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Tboil | 558.48 | K | Relay (1.0) Calculated Property |
| Tc | 782.65 | K | Relay (1.0) Calculated Property |
| Tfus | 326.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.539 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.91; 381.70] | J/mol×K | [610.11; 838.06] |
|
| Cp,gas | 326.91 | J/mol×K | 610.11 | Joback Calculated Property |
| Cp,gas | 337.80 | J/mol×K | 648.10 | Joback Calculated Property |
| Cp,gas | 347.98 | J/mol×K | 686.09 | Joback Calculated Property |
| Cp,gas | 357.47 | J/mol×K | 724.09 | Joback Calculated Property |
| Cp,gas | 366.25 | J/mol×K | 762.08 | Joback Calculated Property |
| Cp,gas | 374.33 | J/mol×K | 800.07 | Joback Calculated Property |
| Cp,gas | 381.70 | J/mol×K | 838.06 | Joback Calculated Property |
| η | [0.0001646; 0.0014103] | Pa×s | [369.36; 610.11] |
|
| η | 0.0014103 | Pa×s | 369.36 | Joback Calculated Property |
| η | 0.0008272 | Pa×s | 409.49 | Joback Calculated Property |
| η | 0.0005337 | Pa×s | 449.61 | Joback Calculated Property |
| η | 0.0003700 | Pa×s | 489.74 | Joback Calculated Property |
| η | 0.0002711 | Pa×s | 529.86 | Joback Calculated Property |
| η | 0.0002075 | Pa×s | 569.99 | Joback Calculated Property |
| η | 0.0001646 | Pa×s | 610.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dichloroacetic acid, 4-methoxyphenyl ester.
Sources
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