- InChI
- InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
- InChI Key
- ISPYQTSUDJAMAB-UHFFFAOYSA-N
- Formula
- C6H5ClO
- SMILES
- Oc1ccccc1Cl
- Molecular Weight1
- 128.56
- CAS
- 95-57-8
- Other Names
-
- 1-Chloro-2-hydroxybenzene
- 2-Chlorophenol
- 2-Hydroxychlorobenzene
- NSC 2870
- Phenol, o-chloro-
- Rcra waste number U048
- o-Chlorophenic acid
- o-Chlorophenol
- o-Chlorphenol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -54.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -123.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.30 ± 0.20 | kJ/mol | NIST |
| IE | 9.28 | eV | NIST |
| log10WS | [-1.06; -1.06] |
|
|
| log10WS | -1.06 | Aq. Sol... | |
| log10WS | -1.06 | Estimat... | |
| logPoct/wat | 2.046 | Crippen Calculated Property | |
| McVol | 89.750 | ml/mol | McGowan Calculated Property |
| Pc | 5478.85 | kPa | Joback Calculated Property |
| Inp | [156.80; 1002.00] |
|
|
| Inp | 991.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 960.50 | NIST | |
| Inp | 967.30 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | Outlier 156.80 | NIST | |
| Inp | Outlier 158.12 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 993.00 | NIST | |
| I | [1788.00; 1868.14] |
|
|
| I | 1866.00 | NIST | |
| I | 1866.00 | NIST | |
| I | 1812.00 | NIST | |
| I | 1800.00 | NIST | |
| I | 1866.67 | NIST | |
| I | 1863.35 | NIST | |
| I | 1868.14 | NIST | |
| I | 1861.01 | NIST | |
| I | 1820.00 | NIST | |
| I | 1830.00 | NIST | |
| I | 1788.00 | NIST | |
| I | 1815.00 | NIST | |
| I | 1788.00 | NIST | |
| I | 1866.00 | NIST | |
| I | 1830.00 | NIST | |
| I | 1866.67 | NIST | |
| Tboil | [448.10; 450.00] | K |
|
| Tboil | 448.10 | K | NIST |
| Tboil | 448.90 ± 0.40 | K | NIST |
| Tboil | 450.00 ± 0.70 | K | NIST |
| Tboil | 448.15 ± 3.00 | K | NIST |
| Tc | 721.38 | K | Joback Calculated Property |
| Tfus | [281.15; 283.00] | K |
|
| Tfus | 281.35 | K | Aq. Sol... |
| Tfus | 283.00 ± 0.20 | K | NIST |
| Tfus | 282.00 ± 0.02 | K | NIST |
| Tfus | 281.15 ± 2.00 | K | NIST |
| Tfus | 281.15 ± 0.20 | K | NIST |
| Vc | 0.279 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.36; 208.73] | J/mol×K | [481.41; 721.38] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 170 180 190 200 210 500 600 700 | ||||
| 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 |
| Cp,liquid | 188.70 | J/mol×K | 283.00 | NIST |
| η | [0.0001241; 0.0044385] | Pa×s | [325.44; 481.41] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 350 400 450 | ||||
| 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 | [0.09; 12.52] | kJ/mol | [276.00; 283.00] |
|
| ΔfusH | 0.09 | kJ/mol | 276.00 | NIST |
| ΔfusH | 12.52 | kJ/mol | 283.00 | NIST |
| ΔfusH | 12.52 | kJ/mol | 283.00 | NIST |
| ΔfusH | 12.52 | kJ/mol | 283.00 | NIST |
| ΔvapH | [45.20; 51.90] | kJ/mol | [304.50; 401.00] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 45 46 47 48 49 50 51 52 350 400 | ||||
| ΔvapH | 51.90 | kJ/mol | 304.50 | NIST |
| ΔvapH | 45.20 | kJ/mol | 366.00 | NIST |
| ΔvapH | 50.10 | kJ/mol | 391.00 | NIST |
| ΔvapH | 47.00 | kJ/mol | 392.00 | NIST |
| ΔvapH | 47.20 | kJ/mol | 401.00 | NIST |
| Pvap | [0.09; 0.80] | kPa | [288.40; 321.20] |
|
|
T(K) Vapor pressure (kPa) 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 290 300 310 320 | ||||
| Pvap | 0.09 | kPa | 288.40 | Thermoc... |
| Pvap | 0.11 | kPa | 291.30 | Thermoc... |
| Pvap | 0.14 | kPa | 294.30 | Thermoc... |
| Pvap | 0.17 | kPa | 297.30 | Thermoc... |
| Pvap | 0.21 | kPa | 300.30 | Thermoc... |
| Pvap | 0.26 | kPa | 303.30 | Thermoc... |
| Pvap | 0.31 | kPa | 306.20 | Thermoc... |
| Pvap | 0.38 | kPa | 309.20 | Thermoc... |
| Pvap | 0.46 | kPa | 312.20 | Thermoc... |
| Pvap | 0.56 | kPa | 315.20 | Thermoc... |
| Pvap | 0.66 | kPa | 318.20 | Thermoc... |
| Pvap | 0.80 | kPa | 321.20 | Thermoc... |
| ΔfusS | [0.33; 44.25] | J/mol×K | [276.00; 283.00] |
|
| ΔfusS | 0.33 | J/mol×K | 276.00 | NIST |
| ΔfusS | 44.25 | J/mol×K | 283.00 | NIST |
| ΔfusS | 44.24 | J/mol×K | 283.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [324.74; 464.43] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.72209e+01 | |||
| Coefficient B | -5.60763e+03 | |||
| Coefficient C | 6.42200e+00 | |||
| Temperature range, min. | 324.74 | |||
| Temperature range, max. | 464.43 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450 | ||||
| Pvap | 1.33 | kPa | 324.74 | Calculated Property |
| Pvap | 2.85 | kPa | 340.26 | Calculated Property |
| Pvap | 5.69 | kPa | 355.78 | Calculated Property |
| Pvap | 10.75 | kPa | 371.30 | Calculated Property |
| Pvap | 19.32 | kPa | 386.82 | Calculated Property |
| Pvap | 33.20 | kPa | 402.35 | Calculated Property |
| Pvap | 54.84 | kPa | 417.87 | Calculated Property |
| Pvap | 87.42 | kPa | 433.39 | Calculated Property |
| Pvap | 135.02 | kPa | 448.91 | Calculated Property |
| Pvap | 202.63 | kPa | 464.43 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-chloro-.
Sources
- Crippen Method
- Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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