- InChI
- InChI=1S/C7H5Cl3O/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3H,1H3
- InChI Key
- FRQUNVLMWIYOLV-UHFFFAOYSA-N
- Formula
- C7H5Cl3O
- SMILES
- COc1ccc(Cl)c(Cl)c1Cl
- Molecular Weight1
- 211.47
- CAS
- 54135-80-7
- Other Names
-
- 2,3,4-Trichloroanisole
- 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.
- I : 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° | -49.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -165.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.00 | kJ/mol | Joback Calculated Property |
| log10WS | -4.29 | Aq. Sol... | |
| logPoct/wat | 3.655 | Crippen Calculated Property | |
| McVol | 128.320 | ml/mol | McGowan Calculated Property |
| Pc | 3333.53 | kPa | Joback Calculated Property |
| Inp | [1463.00; 1501.00] |
|
|
| Inp | 1476.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1463.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1465.00 | NIST | |
| I | [2176.00; 2225.00] |
|
|
| I | 2182.00 | NIST | |
| I | 2204.00 | NIST | |
| I | 2225.00 | NIST | |
| I | 2212.00 | NIST | |
| I | 2176.00 | NIST | |
| I | 2202.00 | NIST | |
| I | 2183.00 | NIST | |
| I | 2183.00 | NIST | |
| I | 2183.00 | NIST | |
| I | 2182.00 | NIST | |
| I | 2212.00 | NIST | |
| Tboil | 535.89 | K | Joback Calculated Property |
| Tc | 769.13 | K | Joback Calculated Property |
| Tfus | 342.65 | K | Aq. Sol... |
| Vc | 0.484 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.05; 269.77] | J/mol×K | [535.89; 769.13] |
|
| Cp,gas | 227.05 | J/mol×K | 535.89 | Joback Calculated Property |
| Cp,gas | 235.28 | J/mol×K | 574.76 | Joback Calculated Property |
| Cp,gas | 243.06 | J/mol×K | 613.64 | Joback Calculated Property |
| Cp,gas | 250.41 | J/mol×K | 652.51 | Joback Calculated Property |
| Cp,gas | 257.31 | J/mol×K | 691.39 | Joback Calculated Property |
| Cp,gas | 263.76 | J/mol×K | 730.26 | Joback Calculated Property |
| Cp,gas | 269.77 | J/mol×K | 769.13 | Joback Calculated Property |
| η | [0.0002296; 0.0010690] | Pa×s | [344.62; 535.89] |
|
| η | 0.0010690 | Pa×s | 344.62 | Joback Calculated Property |
| η | 0.0007421 | Pa×s | 376.50 | Joback Calculated Property |
| η | 0.0005454 | Pa×s | 408.38 | Joback Calculated Property |
| η | 0.0004192 | Pa×s | 440.26 | Joback Calculated Property |
| η | 0.0003338 | Pa×s | 472.13 | Joback Calculated Property |
| η | 0.0002735 | Pa×s | 504.01 | Joback Calculated Property |
| η | 0.0002296 | Pa×s | 535.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2,3-trichloro-4-methoxy-.
Sources
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