- InChI
- InChI=1S/C9H7Cl3O3/c1-14-6-2-4-7(5-3-6)15-8(13)9(10,11)12/h2-5H,1H3
- InChI Key
- MMIXCSCJXHTNAC-UHFFFAOYSA-N
- Formula
- C9H7Cl3O3
- SMILES
- COc1ccc(OC(=O)C(Cl)(Cl)Cl)cc1
- Molecular Weight1
- 269.51
- 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° | -244.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.47 | Crippen Calculated Property | |
| logPoct/wat | 2.971 | Crippen Calculated Property | |
| McVol | 163.940 | ml/mol | McGowan Calculated Property |
| Pc | 2989.32 | kPa | Joback Calculated Property |
| Inp | 1637.00 | NIST | |
| Tboil | 644.75 | K | Joback Calculated Property |
| Tc | 885.06 | K | Joback Calculated Property |
| Tfus | 416.70 | K | Joback Calculated Property |
| Vc | 0.610 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.90; 400.47] | J/mol×K | [644.75; 885.06] | 
|
| Cp,gas | 351.90 | J/mol×K | 644.75 | Joback Calculated Property |
| Cp,gas | 362.02 | J/mol×K | 684.80 | Joback Calculated Property |
| Cp,gas | 371.29 | J/mol×K | 724.85 | Joback Calculated Property |
| Cp,gas | 379.74 | J/mol×K | 764.91 | Joback Calculated Property |
| Cp,gas | 387.40 | J/mol×K | 804.96 | Joback Calculated Property |
| Cp,gas | 394.30 | J/mol×K | 845.01 | Joback Calculated Property |
| Cp,gas | 400.47 | J/mol×K | 885.06 | Joback Calculated Property |
| η | [0.0001410; 0.0010679] | Pa×s | [416.70; 644.75] |
|
| η | 0.0010679 | Pa×s | 416.70 | Joback Calculated Property |
| η | 0.0006619 | Pa×s | 454.71 | Joback Calculated Property |
| η | 0.0004416 | Pa×s | 492.72 | Joback Calculated Property |
| η | 0.0003122 | Pa×s | 530.73 | Joback Calculated Property |
| η | 0.0002312 | Pa×s | 568.73 | Joback Calculated Property |
| η | 0.0001778 | Pa×s | 606.74 | Joback Calculated Property |
| η | 0.0001410 | Pa×s | 644.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid, 4-methoxyphenyl ester.
Sources
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