- InChI
- InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
- InChI Key
- WXNZTHHGJRFXKQ-UHFFFAOYSA-N
- Formula
- C6H5ClO
- SMILES
- Oc1ccc(Cl)cc1
- Molecular Weight1
- 128.56
- CAS
- 106-48-9
- Other Names
-
- 4-Chlorophenol
- 4-Hydroxychlorobenzene
- Applied 3-78
- NSC 2877
- Parachlorophenol
- Phenol, p-chloro-
- p-Chlorfenol
- p-Chlorophenic acid
- p-Chlorophenol
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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).
- IE : Ionization energy (eV).
- 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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 |
|---|---|---|---|
| ω | 0.4735 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -2917.90 ± 8.40 | kJ/mol | NIST |
| ΔcH°solid | -2901.60 ± 8.40 | kJ/mol | NIST |
| ΔfG° | -54.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -121.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.32 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 77.10 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 64.40 ± 0.30 | kJ/mol | NIST |
| IE | [8.69; 9.07] | eV |
|
| IE | 9.07 | eV | NIST |
| IE | 8.69 | eV | NIST |
| log10WS | [-0.70; -0.70] |
|
|
| log10WS | -0.70 | Aq. Solubility Prediction | |
| log10WS | -0.70 | Estimated Solubility | |
| logPoct/wat | 2.046 | Crippen Calculated Property | |
| McVol | 89.750 | ml/mol | McGowan Calculated Property |
| Pc | 5478.85 | kPa | Joback Calculated Property |
| Inp | [1145.00; 1207.00] |
|
|
| Inp | 1170.93 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1205.30 | NIST | |
| Inp | 1198.00 | NIST | |
| Inp | 1145.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1166.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1168.00 | NIST | |
| Inp | 1207.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1203.00 | NIST | |
| Inp | 1203.00 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1171.00 | NIST | |
| Inp | 1192.00 | NIST | |
| I | [2335.00; 2380.00] |
|
|
| I | 2371.00 | NIST | |
| I | 2371.00 | NIST | |
| I | 2371.00 | NIST | |
| I | 2380.00 | NIST | |
| I | 2364.00 | NIST | |
| I | 2335.00 | NIST | |
| I | 2352.00 | NIST | |
| I | 2342.00 | NIST | |
| I | 2376.00 | NIST | |
| I | 2342.00 | NIST | |
| Tboil | [492.90; 492.90] | K |
|
| Tboil | 492.90 | K | NIST |
| Tboil | 492.90 ± 0.40 | K | NIST |
| Tc | 727.06 | K | Relay (1.0) Calculated Property |
| Tfus | [315.60; 316.90] | K |
|
| Tfus | 316.10 | K | Aq. Solubility Prediction |
| Tfus | 315.60 | K | Solid liquid equilibria of mixtures containing tert-butanol, m-chlorophenol, and p-chlorophenol and development of adductive crystallization processes |
| Tfus | 316.15 | K | Liquid pharmaceuticals formulation by eutectic formation |
| Tfus | 316.90 | K | Crystalline and liquid vapour pressures of the four p-monohalophenols: A thermodynamic study of their phase transitions |
| Tfus | 316.00 ± 0.20 | K | NIST |
| Vc | 0.295 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.36; 208.73] | J/mol×K | [481.41; 721.38] |
|
| Cp,gas | 167.36 | J/mol×K | 481.41 | Joback Calculated Property |
| Cp,gas | 176.00 | J/mol×K | 521.40 | Joback Calculated Property |
| Cp,gas | 183.82 | J/mol×K | 561.40 | Joback Calculated Property |
| Cp,gas | 190.92 | J/mol×K | 601.39 | Joback Calculated Property |
| Cp,gas | 197.38 | J/mol×K | 641.39 | Joback Calculated Property |
| Cp,gas | 203.28 | J/mol×K | 681.38 | Joback Calculated Property |
| Cp,gas | 208.73 | J/mol×K | 721.38 | Joback Calculated Property |
| η | [0.0001241; 0.0044385] | Pa×s | [325.44; 481.41] |
|
| η | 0.0044385 | Pa×s | 325.44 | Joback Calculated Property |
| η | 0.0019615 | Pa×s | 351.44 | Joback Calculated Property |
| η | 0.0009700 | Pa×s | 377.43 | Joback Calculated Property |
| η | 0.0005253 | Pa×s | 403.42 | Joback Calculated Property |
| η | 0.0003064 | Pa×s | 429.42 | Joback Calculated Property |
| η | 0.0001900 | Pa×s | 455.41 | Joback Calculated Property |
| η | 0.0001241 | Pa×s | 481.41 | Joback Calculated Property |
| ΔfusH | [14.07; 14.07] | kJ/mol | [315.90; 316.00] |
|
| ΔfusH | 14.07 | kJ/mol | 315.90 | NIST |
| ΔfusH | 14.07 | kJ/mol | 315.90 | NIST |
| ΔfusH | 14.07 | kJ/mol | 316.00 | NIST |
| ΔsubH | [54.00; 60.80] | kJ/mol | [272.50; 297.00] |
|
| ΔsubH | 60.80 | kJ/mol | 272.50 | NIST |
| ΔsubH | 54.00 ± 1.00 | kJ/mol | 297.00 | NIST |
| ΔvapH | [52.80; 61.90] | kJ/mol | [334.50; 433.00] |
|
| ΔvapH | 61.90 | kJ/mol | 334.50 | NIST |
| ΔvapH | 52.80 | kJ/mol | 408.00 | NIST |
| ΔvapH | 60.60 | kJ/mol | 433.00 | NIST |
| Psub | [1.32e-03; 0.03] | kPa | [283.20; 313.20] |
|
| Psub | 1.32e-03 | kPa | 283.20 | Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions |
| Psub | 2.36e-03 | kPa | 288.20 | Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions |
| Psub | 3.32e-03 | kPa | 291.20 | Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions |
| Psub | 4.59e-03 | kPa | 294.20 | Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions |
| Psub | 6.22e-03 | kPa | 297.20 | Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions |
| Psub | 8.39e-03 | kPa | 300.20 | Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions |
| Psub | 0.01 | kPa | 303.20 | Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions |
| Psub | 0.02 | kPa | 306.20 | Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions |
| Psub | 0.02 | kPa | 309.20 | Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions |
| Psub | 0.03 | kPa | 311.20 | Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions |
| Psub | 0.03 | kPa | 313.20 | Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions |
| ΔfusS | 44.51 | J/mol×K | 316.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.69] | kPa | [365.38; 453.28] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.47397e+01 | |||
| Coefficient B | -8.31169e+03 | |||
| Coefficient C | -2.54600e+01 | |||
| Temperature range, min. | 365.38 | |||
| Temperature range, max. | 453.28 | |||
| Pvap | 1.33 | kPa | 365.38 | Calculated Property |
| Pvap | 2.64 | kPa | 375.15 | Calculated Property |
| Pvap | 5.04 | kPa | 384.91 | Calculated Property |
| Pvap | 9.28 | kPa | 394.68 | Calculated Property |
| Pvap | 16.58 | kPa | 404.45 | Calculated Property |
| Pvap | 28.77 | kPa | 414.21 | Calculated Property |
| Pvap | 48.58 | kPa | 423.98 | Calculated Property |
| Pvap | 80.02 | kPa | 433.75 | Calculated Property |
| Pvap | 128.74 | kPa | 443.51 | Calculated Property |
| Pvap | 202.69 | kPa | 453.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-chloro-.
Mixtures
- Phenol, 3-chloro- + Phenol, 4-chloro-
- 2-Propanol, 2-methyl- + Phenol, 4-chloro-
- 2-Propanol, 2-methyl- + Phenol, 3-chloro- + Phenol, 4-chloro-
- Choline chloride + Phenol, 4-chloro-
- Carbon dioxide + Phenol, 4-chloro-
- Carbon dioxide + Phenol, 4-chloro- + Methyl Alcohol
- Carbon dioxide + Acetone + Phenol, 4-chloro-
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Solid liquid equilibria of mixtures containing tert-butanol, m-chlorophenol, and p-chlorophenol and development of adductive crystallization processes
- Liquid pharmaceuticals formulation by eutectic formation
- Crystalline and liquid vapour pressures of the four p-monohalophenols: A thermodynamic study of their phase transitions
- 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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