- InChI
- InChI=1S/C6H5Cl3O2/c1-3-4(2)11-5(10)6(7,8)9/h1,4H,2H3
- InChI Key
- KEBRGWUCOLOSMN-UHFFFAOYSA-N
- Formula
- C6H5Cl3O2
- SMILES
- C#CC(C)OC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 215.46
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.2673 | Relay (1.0) Calculated Property | |
| ΔfG° | -46.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.922 | Crippen Calculated Property | |
| McVol | 130.960 | ml/mol | McGowan Calculated Property |
| Pc | 3526.27 | kPa | Joback Calculated Property |
| Tboil | 452.57 | K | Relay (1.0) Calculated Property |
| Tc | 661.09 | K | Relay (1.0) Calculated Property |
| Tfus | 309.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.439 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.44; 280.88] | J/mol×K | [511.71; 740.24] | 
|
| Cp,gas | 242.44 | J/mol×K | 511.71 | Joback Calculated Property |
| Cp,gas | 250.30 | J/mol×K | 549.80 | Joback Calculated Property |
| Cp,gas | 257.54 | J/mol×K | 587.89 | Joback Calculated Property |
| Cp,gas | 264.17 | J/mol×K | 625.97 | Joback Calculated Property |
| Cp,gas | 270.25 | J/mol×K | 664.06 | Joback Calculated Property |
| Cp,gas | 275.81 | J/mol×K | 702.15 | Joback Calculated Property |
| Cp,gas | 280.88 | J/mol×K | 740.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid, but-3-yn-2-yl ester.
Sources
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