- InChI
- InChI=1S/C9H8Cl2O2/c1-6-3-2-4-7(5-6)13-9(12)8(10)11/h2-5,8H,1H3
- InChI Key
- PIRXAVOHMRJPRX-UHFFFAOYSA-N
- Formula
- C9H8Cl2O2
- SMILES
- Cc1cccc(OC(=O)C(Cl)Cl)c1
- Molecular Weight1
- 219.06
- 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 | 0.5085 | Relay (1.0) Calculated Property | |
| ΔfG° | -132.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -342.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.704 | Crippen Calculated Property | |
| McVol | 145.830 | ml/mol | McGowan Calculated Property |
| Pc | 3135.00 | kPa | Joback Calculated Property |
| Inp | 1405.00 | NIST | |
| Tboil | 527.51 | K | Relay (1.0) Calculated Property |
| Tc | 768.97 | K | Relay (1.0) Calculated Property |
| Tfus | 287.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.516 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.59; 359.97] | J/mol×K | [587.69; 818.84] | 
|
| Cp,gas | 304.59 | J/mol×K | 587.69 | Joback Calculated Property |
| Cp,gas | 315.62 | J/mol×K | 626.22 | Joback Calculated Property |
| Cp,gas | 325.90 | J/mol×K | 664.74 | Joback Calculated Property |
| Cp,gas | 335.46 | J/mol×K | 703.27 | Joback Calculated Property |
| Cp,gas | 344.32 | J/mol×K | 741.79 | Joback Calculated Property |
| Cp,gas | 352.48 | J/mol×K | 780.32 | Joback Calculated Property |
| Cp,gas | 359.97 | J/mol×K | 818.84 | Joback Calculated Property |
| η | [0.0002078; 0.0019276] | Pa×s | [347.13; 587.69] |
|
| η | 0.0019276 | Pa×s | 347.13 | Joback Calculated Property |
| η | 0.0010973 | Pa×s | 387.22 | Joback Calculated Property |
| η | 0.0006944 | Pa×s | 427.32 | Joback Calculated Property |
| η | 0.0004752 | Pa×s | 467.41 | Joback Calculated Property |
| η | 0.0003454 | Pa×s | 507.50 | Joback Calculated Property |
| η | 0.0002630 | Pa×s | 547.60 | Joback Calculated Property |
| η | 0.0002078 | Pa×s | 587.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dichloroacetic acid, 3-methylphenyl ester.
Sources
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