- InChI
- InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H
- InChI Key
- VGVRPFIJEJYOFN-UHFFFAOYSA-N
- Formula
- C6H2Cl4O
- SMILES
- Oc1c(Cl)cc(Cl)c(Cl)c1Cl
- Molecular Weight1
- 231.89
- CAS
- 58-90-2
- Other Names
-
- 1-Hydroxy-2,3,4,6-tetrachlorobenzene
- 2,3,4,6-Tetrachlorophenol
- 2,4,5,6-Tetrachlorophenol
- Dowicide 6
- TCP
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | [-3.10; -3.10] |
|
|
| log10WS | -3.10 | Aq. Sol... | |
| log10WS | -3.10 | Estimat... | |
| logPoct/wat | 4.006 | Crippen Calculated Property | |
| McVol | 126.470 | ml/mol | McGowan Calculated Property |
| Pc | 4403.25 | kPa | Joback Calculated Property |
| Inp | [264.80; 1597.00] |
|
|
| Inp | 1538.00 | NIST | |
| Inp | 1519.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1559.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1523.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1584.80 | NIST | |
| Inp | 1506.00 | NIST | |
| Inp | 1519.00 | NIST | |
| Inp | 1597.00 | NIST | |
| Inp | 1563.00 | NIST | |
| Inp | 264.80 | NIST | |
| Inp | 265.40 | NIST | |
| Inp | 296.86 | NIST | |
| Inp | 298.60 | NIST | |
| Inp | 1519.00 | NIST | |
| Inp | 264.80 | NIST | |
| Inp | 1552.00 | NIST | |
| I | [2554.00; 2620.00] |
|
|
| I | 2554.00 | NIST | |
| I | 2554.00 | NIST | |
| I | 2573.00 | NIST | |
| I | 2615.00 | NIST | |
| I | 2620.00 | NIST | |
| I | 2602.00 | NIST | |
| I | 2609.00 | NIST | |
| I | 2620.00 | NIST | |
| Tboil | 608.64 | K | Joback Calculated Property |
| Tc | 865.32 | K | Joback Calculated Property |
| Tfus | 341.00 ± 4.00 | K | NIST |
| 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 |
| ΔvapH | 64.80 | kJ/mol | 460.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 423.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.22; 202.66] | kPa | [373.00; 652.90] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.34834e+01 | |||
| Coefficient B | -5.03271e+03 | |||
| Coefficient C | -3.70440e+01 | |||
| Temperature range, min. | 373.00 | |||
| Temperature range, max. | 652.90 | |||
| Pvap | 0.22 | kPa | 373.00 | Calculated Property |
| Pvap | 0.80 | kPa | 404.10 | Calculated Property |
| Pvap | 2.32 | kPa | 435.20 | Calculated Property |
| Pvap | 5.81 | kPa | 466.30 | Calculated Property |
| Pvap | 12.82 | kPa | 497.40 | Calculated Property |
| Pvap | 25.61 | kPa | 528.50 | Calculated Property |
| Pvap | 47.11 | kPa | 559.60 | Calculated Property |
| Pvap | 80.92 | kPa | 590.70 | Calculated Property |
| Pvap | 131.22 | kPa | 621.80 | Calculated Property |
| Pvap | 202.66 | kPa | 652.90 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,3,4,6-tetrachloro-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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