- InChI
- InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
- InChI Key
- LHJGJYXLEPZJPM-UHFFFAOYSA-N
- Formula
- C6H3Cl3O
- SMILES
- Oc1cc(Cl)c(Cl)cc1Cl
- Molecular Weight1
- 197.45
- CAS
- 95-95-4
- Other Names
-
- 2,4,5-Trichlorophenol
- Collunosol
- Dowcide 2
- Dowicide 2
- NCI-C61187
- NSC 2266
- Nurelle
- Preventol I
- Rcra waste number U230
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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° | -97.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.72 | kJ/mol | Joback Calculated Property |
| log10WS | [-2.21; -2.21] |
|
|
| log10WS | -2.21 | Aq. Sol... | |
| log10WS | -2.21 | Estimat... | |
| logPoct/wat | 3.352 | Crippen Calculated Property | |
| McVol | 114.230 | ml/mol | McGowan Calculated Property |
| Pc | 4723.61 | kPa | Joback Calculated Property |
| Inp | [231.90; 1392.00] |
|
|
| Inp | 1356.00 | NIST | |
| Inp | 1338.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Inp | 1370.00 | NIST | |
| Inp | 1384.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1355.00 | NIST | |
| Inp | 1359.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1381.10 | NIST | |
| Inp | 1322.00 | NIST | |
| Inp | 1338.00 | NIST | |
| Inp | 1391.00 | NIST | |
| Inp | 1392.00 | NIST | |
| Inp | 1327.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1327.00 | NIST | |
| Inp | Outlier 231.90 | NIST | |
| Inp | 1338.00 | NIST | |
| Inp | 1327.00 | NIST | |
| I | [2420.00; 2476.00] |
|
|
| I | 2458.00 | NIST | |
| I | 2453.00 | NIST | |
| I | 2460.00 | NIST | |
| I | 2476.00 | NIST | |
| I | 2458.00 | NIST | |
| I | Outlier 2420.00 | NIST | |
| I | 2444.00 | NIST | |
| Tboil | 566.23 | K | Joback Calculated Property |
| Tc | 818.35 | K | Joback Calculated Property |
| Tfus | [339.00; 342.00] | K |
|
| Tfus | 340.85 | K | Aq. Sol... |
| Tfus | 341.20 ± 0.20 | K | NIST |
| Tfus | 342.00 ± 0.20 | K | NIST |
| Tfus | 339.00 ± 3.00 | K | NIST |
| Vc | 0.377 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.55; 233.71] | J/mol×K | [566.23; 818.35] |
|
| Cp,gas | 203.55 | J/mol×K | 566.23 | Joback Calculated Property |
| Cp,gas | 209.69 | J/mol×K | 608.25 | Joback Calculated Property |
| Cp,gas | 215.28 | J/mol×K | 650.27 | Joback Calculated Property |
| Cp,gas | 220.38 | J/mol×K | 692.29 | Joback Calculated Property |
| Cp,gas | 225.09 | J/mol×K | 734.31 | Joback Calculated Property |
| Cp,gas | 229.51 | J/mol×K | 776.33 | Joback Calculated Property |
| Cp,gas | 233.71 | J/mol×K | 818.35 | Joback Calculated Property |
| η | [0.0000638; 0.0008360] | Pa×s | [410.32; 566.23] |
|
| η | 0.0008360 | Pa×s | 410.32 | Joback Calculated Property |
| η | 0.0004792 | Pa×s | 436.31 | Joback Calculated Property |
| η | 0.0002925 | Pa×s | 462.29 | Joback Calculated Property |
| η | 0.0001881 | Pa×s | 488.28 | Joback Calculated Property |
| η | 0.0001265 | Pa×s | 514.26 | Joback Calculated Property |
| η | 0.0000884 | Pa×s | 540.25 | Joback Calculated Property |
| η | 0.0000638 | Pa×s | 566.23 | Joback Calculated Property |
| ΔfusH | [21.59; 21.59] | kJ/mol | [340.30; 340.30] |
|
| ΔfusH | 21.59 | kJ/mol | 340.30 | NIST |
| ΔfusH | 21.59 | kJ/mol | 340.30 | NIST |
| ΔvapH | 54.50 | kJ/mol | 435.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 521.20 | K | 98.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.21; 202.64] | kPa | [345.00; 599.79] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.36469e+01 | |||
| Coefficient B | -4.70213e+03 | |||
| Coefficient C | -3.56740e+01 | |||
| Temperature range, min. | 345.00 | |||
| Temperature range, max. | 599.79 | |||
| Pvap | 0.21 | kPa | 345.00 | Calculated Property |
| Pvap | 0.76 | kPa | 373.31 | Calculated Property |
| Pvap | 2.22 | kPa | 401.62 | Calculated Property |
| Pvap | 5.59 | kPa | 429.93 | Calculated Property |
| Pvap | 12.42 | kPa | 458.24 | Calculated Property |
| Pvap | 24.98 | kPa | 486.55 | Calculated Property |
| Pvap | 46.25 | kPa | 514.86 | Calculated Property |
| Pvap | 79.96 | kPa | 543.17 | Calculated Property |
| Pvap | 130.46 | kPa | 571.48 | Calculated Property |
| Pvap | 202.64 | kPa | 599.79 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,4,5-trichloro-.
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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