- InChI
- InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
- InChI Key
- LINPIYWFGCPVIE-UHFFFAOYSA-N
- Formula
- C6H3Cl3O
- SMILES
- Oc1c(Cl)cc(Cl)cc1Cl
- Molecular Weight1
- 197.45
- CAS
- 88-06-2
- Other Names
-
- 1,3,5-Trichloro-2-hydroxybenzene
- 1,3,5-Trichlorophenol
- 2,4,6 T
- 2,4,6-Trichlorfenol
- 2,4,6-Trichlorophenol
- Dowcide 2S
- Dowicide 2S
- NCI-C02904
- NSC 2165
- Omal
- Phenachlor
- Rcra waste number U231
- Trichloro-2-hydroxybenzene
- 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).
- ΔsubH° : Enthalpy of sublimation 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).
- Psub : Sublimation pressure (kPa).
- Pvap : Vapor 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° | -97.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.93 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 82.30 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | [66.10; 67.20] | kJ/mol |
|
| ΔvapH° | 67.20 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 66.10 ± 0.40 | kJ/mol | NIST |
| log10WS | [-2.34; -2.34] |
|
|
| log10WS | -2.34 | Aq. Sol... | |
| log10WS | -2.34 | Estimat... | |
| logPoct/wat | 3.352 | Crippen Calculated Property | |
| McVol | 114.230 | ml/mol | McGowan Calculated Property |
| Pc | 4723.61 | kPa | Joback Calculated Property |
| Inp | [231.00; 1386.00] |
|
|
| Inp | 1346.00 | NIST | |
| Inp | 1331.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 1367.00 | NIST | |
| Inp | 1349.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1330.00 | NIST | |
| Inp | 1326.00 | NIST | |
| Inp | 1358.00 | NIST | |
| Inp | 1349.00 | NIST | |
| Inp | 1327.00 | NIST | |
| Inp | 1339.00 | NIST | |
| Inp | 1376.20 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1320.00 | NIST | |
| Inp | 1325.00 | NIST | |
| Inp | 1326.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1315.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1369.00 | NIST | |
| Inp | 1331.00 | NIST | |
| Inp | 1383.00 | NIST | |
| Inp | 1386.00 | NIST | |
| Inp | 1349.00 | NIST | |
| Inp | Outlier 231.00 | NIST | |
| Inp | Outlier 232.09 | NIST | |
| Inp | Outlier 266.23 | NIST | |
| Inp | Outlier 266.60 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1327.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1349.00 | NIST | |
| I | [2270.00; 2355.43] |
|
|
| I | 2301.00 | NIST | |
| I | 2301.00 | NIST | |
| I | 2306.00 | NIST | |
| I | 2321.00 | NIST | |
| I | 2344.63 | NIST | |
| I | 2355.43 | NIST | |
| I | 2343.02 | NIST | |
| I | 2284.00 | NIST | |
| I | 2270.00 | NIST | |
| I | 2301.00 | NIST | |
| Tboil | 519.20 | K | NIST |
| Tc | 818.35 | K | Joback Calculated Property |
| Tfus | 340.90 | K | Aq. Sol... |
| 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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 205 210 215 220 225 230 235 600 700 800 | ||||
| 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] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 2.00e-4 4.00e-4 6.00e-4 8.00e-4 450 500 550 | ||||
| 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 |
| ΔvapH | [58.20; 62.50] | kJ/mol | [359.00; 434.00] |
|
| ΔvapH | 62.50 | kJ/mol | 359.00 | NIST |
| ΔvapH | 58.20 | kJ/mol | 403.50 | NIST |
| ΔvapH | 58.80 | kJ/mol | 434.00 | NIST |
| Psub | [1.77e-03; 0.09] | kPa | [299.40; 340.30] |
|
|
T(K) Sublimation pressure (kPa) 0 0.02 0.04 0.06 0.08 300 320 340 | ||||
| Psub | 1.77e-03 | kPa | 299.40 | Thermoc... |
| Psub | 2.45e-03 | kPa | 302.30 | Thermoc... |
| Psub | 3.19e-03 | kPa | 305.20 | Thermoc... |
| Psub | 4.40e-03 | kPa | 308.30 | Thermoc... |
| Psub | 5.93e-03 | kPa | 311.30 | Thermoc... |
| Psub | 8.05e-03 | kPa | 314.30 | Thermoc... |
| Psub | 0.01 | kPa | 316.80 | Thermoc... |
| Psub | 0.01 | kPa | 316.80 | Thermoc... |
| Psub | 0.01 | kPa | 317.30 | Thermoc... |
| Psub | 0.01 | kPa | 320.30 | Thermoc... |
| Psub | 0.02 | kPa | 323.30 | Thermoc... |
| Psub | 0.03 | kPa | 326.30 | Thermoc... |
| Psub | 0.03 | kPa | 329.40 | Thermoc... |
| Psub | 0.05 | kPa | 332.50 | Thermoc... |
| Psub | 0.06 | kPa | 335.50 | Thermoc... |
| Psub | 0.08 | kPa | 338.20 | Thermoc... |
| Psub | 0.09 | kPa | 340.30 | Thermoc... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.16; 202.64] | kPa | [344.95; 597.52] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41306e+01 | |||
| Coefficient B | -4.96669e+03 | |||
| Coefficient C | -3.43460e+01 | |||
| Temperature range, min. | 344.95 | |||
| Temperature range, max. | 597.52 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 500 600 | ||||
| Pvap | 0.16 | kPa | 344.95 | Calculated Property |
| Pvap | 0.59 | kPa | 373.01 | Calculated Property |
| Pvap | 1.80 | kPa | 401.08 | Calculated Property |
| Pvap | 4.71 | kPa | 429.14 | Calculated Property |
| Pvap | 10.86 | kPa | 457.20 | Calculated Property |
| Pvap | 22.56 | kPa | 485.27 | Calculated Property |
| Pvap | 43.01 | kPa | 513.33 | Calculated Property |
| Pvap | 76.34 | kPa | 541.39 | Calculated Property |
| Pvap | 127.60 | kPa | 569.46 | Calculated Property |
| Pvap | 202.64 | kPa | 597.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,4,6-trichloro-.
Mixtures
- Phenol, 2,4,6-trichloro- + Carbon dioxide
- Phenol, 2,4,6-trichloro- + Carbon dioxide + Methyl Alcohol
- Phenol, 2,4,6-trichloro- + Carbon dioxide + Acetone
Sources
- Crippen Method
- Investigating the solubility of chlorophenols in hydrophobic ionic liquids
- Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
- Solubilities of Some Chlorophenols in Supercritical CO2 in the Presence and Absence of Cosolvents
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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