- InChI
- InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H
- InChI Key
- RULKYXXCCZZKDZ-UHFFFAOYSA-N
- Formula
- C6H2Cl4O
- SMILES
- Oc1cc(Cl)c(Cl)c(Cl)c1Cl
- Molecular Weight1
- 231.89
- CAS
- 4901-51-3
- Other Names
-
- 2,3,4,5-Tetrachlorophenol
- 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° | -119.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -205.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.77 | kJ/mol | Joback Calculated Property |
| log10WS | [-3.15; -3.15] |
|
|
| log10WS | -3.15 | Aq. Sol... | |
| log10WS | -3.15 | Estimat... | |
| logPoct/wat | 4.006 | Crippen Calculated Property | |
| McVol | 126.470 | ml/mol | McGowan Calculated Property |
| Pc | 4403.25 | kPa | Joback Calculated Property |
| Inp | [1517.00; 1558.00] |
|
|
| Inp | 1536.00 | NIST | |
| Inp | 1517.00 | NIST | |
| Inp | 1536.00 | NIST | |
| Inp | 1558.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1521.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1517.00 | NIST | |
| Inp | 1536.00 | NIST | |
| I | [2730.00; 2776.00] |
|
|
| I | 2730.00 | NIST | |
| I | 2730.00 | NIST | |
| I | 2751.00 | NIST | |
| I | 2776.00 | NIST | |
| I | 2774.00 | NIST | |
| I | 2733.00 | NIST | |
| I | 2763.00 | NIST | |
| Tboil | 608.64 | K | Joback Calculated Property |
| Tc | 865.32 | K | Joback Calculated Property |
| Tfus | 389.65 | K | Aq. Sol... |
| Vc | 0.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.56; 244.46] | J/mol×K | [608.64; 865.32] |
|
| Cp,gas | 218.56 | J/mol×K | 608.64 | Joback Calculated Property |
| Cp,gas | 223.68 | J/mol×K | 651.42 | Joback Calculated Property |
| Cp,gas | 228.36 | J/mol×K | 694.20 | Joback Calculated Property |
| Cp,gas | 232.70 | J/mol×K | 736.98 | Joback Calculated Property |
| Cp,gas | 236.77 | J/mol×K | 779.76 | Joback Calculated Property |
| Cp,gas | 240.66 | J/mol×K | 822.54 | Joback Calculated Property |
| Cp,gas | 244.46 | J/mol×K | 865.32 | Joback Calculated Property |
| η | [0.0000467; 0.0004365] | Pa×s | [452.76; 608.64] |
|
| η | 0.0004365 | Pa×s | 452.76 | Joback Calculated Property |
| η | 0.0002718 | Pa×s | 478.74 | Joback Calculated Property |
| η | 0.0001777 | Pa×s | 504.72 | Joback Calculated Property |
| η | 0.0001211 | Pa×s | 530.70 | Joback Calculated Property |
| η | 0.0000855 | Pa×s | 556.68 | Joback Calculated Property |
| η | 0.0000623 | Pa×s | 582.66 | Joback Calculated Property |
| η | 0.0000467 | Pa×s | 608.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,3,4,5-tetrachloro-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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