- InChI
- InChI=1S/C8H5Cl3O3/c9-4-1-2-5(10)8(7(4)11)14-3-6(12)13/h1-2H,3H2,(H,12,13)
- InChI Key
- GQOHYQAHKDLXCV-UHFFFAOYSA-N
- Formula
- C8H5Cl3O3
- SMILES
- O=C(O)COc1c(Cl)ccc(Cl)c1Cl
- Molecular Weight1
- 255.48
- CAS
- 4007-00-5
- 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).
- 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° | -306.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -450.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.65 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 3.110 | Crippen Calculated Property | |
| McVol | 149.850 | ml/mol | McGowan Calculated Property |
| Pc | 3572.80 | kPa | Joback Calculated Property |
| Tboil | 704.82 | K | Joback Calculated Property |
| Tc | 922.43 | K | Joback Calculated Property |
| Tfus | 466.64 | K | Joback Calculated Property |
| Vc | 0.566 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.10; 347.64] | J/mol×K | [704.82; 922.43] | 
|
| Cp,gas | 314.10 | J/mol×K | 704.82 | Joback Calculated Property |
| Cp,gas | 320.91 | J/mol×K | 741.09 | Joback Calculated Property |
| Cp,gas | 327.22 | J/mol×K | 777.36 | Joback Calculated Property |
| Cp,gas | 333.05 | J/mol×K | 813.63 | Joback Calculated Property |
| Cp,gas | 338.40 | J/mol×K | 849.89 | Joback Calculated Property |
| Cp,gas | 343.26 | J/mol×K | 886.16 | Joback Calculated Property |
| Cp,gas | 347.64 | J/mol×K | 922.43 | Joback Calculated Property |
| η | [0.0000544; 0.0007091] | Pa×s | [466.64; 704.82] |
|
| η | 0.0007091 | Pa×s | 466.64 | Joback Calculated Property |
| η | 0.0003908 | Pa×s | 506.34 | Joback Calculated Property |
| η | 0.0002349 | Pa×s | 546.03 | Joback Calculated Property |
| η | 0.0001513 | Pa×s | 585.73 | Joback Calculated Property |
| η | 0.0001030 | Pa×s | 625.43 | Joback Calculated Property |
| η | 0.0000735 | Pa×s | 665.12 | Joback Calculated Property |
| η | 0.0000544 | Pa×s | 704.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (2,3,6-Trichlorophenoxy)acetic acid.
Sources
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