- InChI
- InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
- InChI Key
- HFZWRUODUSTPEG-UHFFFAOYSA-N
- Formula
- C6H4Cl2O
- SMILES
- Oc1ccc(Cl)cc1Cl
- Molecular Weight1
- 163.00
- CAS
- 120-83-2
- Other Names
-
- 1,3-Dichloro-4-hydroxybenzene
- 1-Hydroxy-2,4-dichlorobenzene
- 2,4-DCP
- 2,4-Dichlorophenol
- 4,6-Dichlorophenol
- DCP
- NCI-C55345
- NSC 2879
- Rcra waste number U081
- 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).
- ΔfH°solid : Solid phase 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).
- 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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- ΔvapS : Entropy of vaporization 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 |
|---|---|---|---|
| ΔcH°solid | -2753.70 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -76.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -156.30 ± 1.90 | kJ/mol | NIST |
| ΔfH°solid | -226.40 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 19.13 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [70.10; 78.00] | kJ/mol |
|
| ΔsubH° | 78.00 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 70.10 ± 1.10 | kJ/mol | NIST |
| ΔsubH° | 70.10 ± 1.10 | kJ/mol | NIST |
| ΔvapH° | [58.10; 59.00] | kJ/mol |
|
| ΔvapH° | 59.00 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 58.10 ± 0.30 | kJ/mol | NIST |
| log10WS | [-1.55; -1.55] |
|
|
| log10WS | -1.55 | Aq. Sol... | |
| log10WS | -1.55 | Estimat... | |
| logPoct/wat | 2.699 | Crippen Calculated Property | |
| McVol | 101.990 | ml/mol | McGowan Calculated Property |
| Pc | 5080.25 | kPa | Joback Calculated Property |
| Inp | [196.30; 1193.00] |
|
|
| Inp | 1170.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1181.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Inp | 1144.80 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1168.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1187.70 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1188.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | Outlier 196.30 | NIST | |
| Inp | Outlier 196.53 | NIST | |
| Inp | 1187.70 | NIST | |
| Inp | 1188.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Inp | 1165.00 | NIST | |
| I | [2096.00; 2192.93] |
|
|
| I | 2151.00 | NIST | |
| I | 2151.00 | NIST | |
| I | 2131.00 | NIST | |
| I | 2145.00 | NIST | |
| I | 2192.93 | NIST | |
| I | 2184.21 | NIST | |
| I | 2192.08 | NIST | |
| I | 2182.99 | NIST | |
| I | 2120.00 | NIST | |
| I | 2096.00 | NIST | |
| I | 2104.00 | NIST | |
| I | 2098.00 | NIST | |
| I | 2098.00 | NIST | |
| I | 2192.93 | NIST | |
| I | 2096.00 | NIST | |
| I | 2098.00 | NIST | |
| Tboil | 483.20 | K | NIST |
| Tc | 770.43 | K | Joback Calculated Property |
| Tfus | [316.65; 323.00] | K |
|
| Tfus | 316.65 | K | Aq. Sol... |
| Tfus | 318.00 ± 0.20 | K | NIST |
| Tfus | 323.00 ± 2.00 | K | NIST |
| Tfus | 318.00 ± 3.00 | K | NIST |
| Vc | 0.328 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.59; 221.90] | J/mol×K | [523.82; 770.43] |
|
| Cp,gas | 186.59 | J/mol×K | 523.82 | Joback Calculated Property |
| Cp,gas | 193.91 | J/mol×K | 564.92 | Joback Calculated Property |
| Cp,gas | 200.54 | J/mol×K | 606.02 | Joback Calculated Property |
| Cp,gas | 206.57 | J/mol×K | 647.12 | Joback Calculated Property |
| Cp,gas | 212.08 | J/mol×K | 688.23 | Joback Calculated Property |
| Cp,gas | 217.16 | J/mol×K | 729.33 | Joback Calculated Property |
| Cp,gas | 221.90 | J/mol×K | 770.43 | Joback Calculated Property |
| η | [0.0000885; 0.0017868] | Pa×s | [367.88; 523.82] |
|
| η | 0.0017868 | Pa×s | 367.88 | Joback Calculated Property |
| η | 0.0009180 | Pa×s | 393.87 | Joback Calculated Property |
| η | 0.0005122 | Pa×s | 419.86 | Joback Calculated Property |
| η | 0.0003059 | Pa×s | 445.85 | Joback Calculated Property |
| η | 0.0001933 | Pa×s | 471.84 | Joback Calculated Property |
| η | 0.0001282 | Pa×s | 497.83 | Joback Calculated Property |
| η | 0.0000885 | Pa×s | 523.82 | Joback Calculated Property |
| ΔfusH | [20.09; 28.41] | kJ/mol | [318.00; 323.00] |
|
| ΔfusH | 20.09 | kJ/mol | 318.00 | NIST |
| ΔfusH | 20.09 | kJ/mol | 318.00 | NIST |
| ΔfusH | 20.09 | kJ/mol | 318.00 | NIST |
| ΔfusH | 28.41 | kJ/mol | 323.00 | NIST |
| ΔvapH | [36.78; 60.80] | kJ/mol | [330.50; 491.00] |
|
| ΔvapH | 56.60 | kJ/mol | 330.50 | NIST |
| ΔvapH | 52.30 | kJ/mol | 383.00 | NIST |
| ΔvapH | 60.80 | kJ/mol | 404.50 | NIST |
| ΔvapH | 36.78 | kJ/mol | 491.00 | NIST |
| Psub | [1.75e-03; 0.09] | kPa | [278.20; 315.20] |
|
| Psub | 1.75e-03 | kPa | 278.20 | Thermoc... |
| Psub | 3.12e-03 | kPa | 283.30 | Thermoc... |
| Psub | 6.26e-03 | kPa | 289.30 | Thermoc... |
| Psub | 0.01 | kPa | 294.40 | Thermoc... |
| Psub | 0.01 | kPa | 297.30 | Thermoc... |
| Psub | 0.02 | kPa | 300.40 | Thermoc... |
| Psub | 0.03 | kPa | 303.30 | Thermoc... |
| Psub | 0.04 | kPa | 306.30 | Thermoc... |
| Psub | 0.05 | kPa | 309.40 | Thermoc... |
| Psub | 0.07 | kPa | 312.40 | Thermoc... |
| Psub | 0.09 | kPa | 315.20 | Thermoc... |
| ΔfusS | [63.18; 88.00] | J/mol×K | [318.00; 323.00] |
|
| ΔfusS | 63.18 | J/mol×K | 318.00 | NIST |
| ΔfusS | 88.00 | J/mol×K | 323.00 | NIST |
| ΔvapS | 74.90 | J/mol×K | 491.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.17; 202.65] | kPa | [326.00; 534.83] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50381e+01 | |||
| Coefficient B | -4.81365e+03 | |||
| Coefficient C | -3.99350e+01 | |||
| Temperature range, min. | 326.00 | |||
| Temperature range, max. | 534.83 | |||
| Pvap | 0.17 | kPa | 326.00 | Calculated Property |
| Pvap | 0.59 | kPa | 349.20 | Calculated Property |
| Pvap | 1.75 | kPa | 372.41 | Calculated Property |
| Pvap | 4.50 | kPa | 395.61 | Calculated Property |
| Pvap | 10.31 | kPa | 418.81 | Calculated Property |
| Pvap | 21.46 | kPa | 442.02 | Calculated Property |
| Pvap | 41.24 | kPa | 465.22 | Calculated Property |
| Pvap | 74.07 | kPa | 488.42 | Calculated Property |
| Pvap | 125.59 | kPa | 511.63 | Calculated Property |
| Pvap | 202.65 | kPa | 534.83 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,4-dichloro-.
Mixtures
- Carbon dioxide + Phenol, 2,4-dichloro-
- Carbon dioxide + Phenol, 2,4-dichloro- + Methyl Alcohol
- Carbon dioxide + Phenol, 2,4-dichloro- + Acetone
Sources
- Crippen Method
- 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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