- InChI
- InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
- InChI Key
- HOLHYSJJBXSLMV-UHFFFAOYSA-N
- Formula
- C6H4Cl2O
- SMILES
- Oc1c(Cl)cccc1Cl
- Molecular Weight1
- 163.00
- CAS
- 87-65-0
- Other Names
-
- 2,6-Dichlorfenol
- 2,6-Dichlorophenol
- Rcra waste number U082
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -2758.00 ± 0.70 | kJ/mol | NIST |
| ΔfG° | -76.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -146.30 ± 1.50 | kJ/mol | NIST |
| ΔfH°solid | -222.10 ± 1.10 | kJ/mol | NIST |
| ΔfusH° | 19.13 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [75.80; 79.30] | kJ/mol |
|
| ΔsubH° | 79.30 ± 0.20 | kJ/mol | NIST |
| ΔsubH° | 75.80 ± 1.00 | kJ/mol | NIST |
| ΔsubH° | 75.80 ± 1.10 | kJ/mol | NIST |
| ΔvapH° | [58.50; 59.60] | kJ/mol |
|
| ΔvapH° | 59.60 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 58.50 ± 0.50 | kJ/mol | NIST |
| IE | 8.65 ± 0.02 | eV | NIST |
| log10WS | [-1.79; -1.79] |
|
|
| log10WS | -1.79 | Aq. Sol... | |
| log10WS | -1.79 | Estimat... | |
| logPoct/wat | 2.699 | Crippen Calculated Property | |
| McVol | 101.990 | ml/mol | McGowan Calculated Property |
| Pc | 5080.25 | kPa | Joback Calculated Property |
| Inp | [203.40; 1228.00] |
|
|
| Inp | 1200.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Inp | 1203.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Inp | 1205.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1198.00 | NIST | |
| Inp | 1179.00 | NIST | |
| Inp | 1190.00 | NIST | |
| Inp | 1223.20 | NIST | |
| Inp | 1199.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1179.00 | NIST | |
| Inp | 1168.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Inp | 1227.00 | NIST | |
| Inp | 1228.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Inp | Outlier 204.68 | NIST | |
| Inp | Outlier 203.40 | NIST | |
| I | [2038.00; 2124.00] |
|
|
| I | 2097.00 | NIST | |
| I | 2097.00 | NIST | |
| I | 2081.00 | NIST | |
| I | 2083.00 | NIST | |
| I | 2119.00 | NIST | |
| I | 2124.00 | NIST | |
| I | 2061.00 | NIST | |
| I | Outlier 2038.00 | NIST | |
| I | 2097.00 | NIST | |
| I | 2119.00 | NIST | |
| Tboil | 492.20 | K | NIST |
| Tc | 770.43 | K | Joback Calculated Property |
| Tfus | [340.00; 340.90] | K |
|
| Tfus | 340.90 | K | Aq. Sol... |
| Tfus | 340.00 ± 0.20 | 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 | [22.14; 22.14] | kJ/mol | [340.00; 340.00] |
|
| ΔfusH | 22.14 | kJ/mol | 340.00 | NIST |
| ΔfusH | 22.14 | kJ/mol | 340.00 | NIST |
| ΔvapH | [51.60; 57.90] | kJ/mol | [356.00; 413.00] |
|
| ΔvapH | 55.40 | kJ/mol | 356.00 | NIST |
| ΔvapH | 51.60 | kJ/mol | 400.00 | NIST |
| ΔvapH | 57.90 | kJ/mol | 413.00 | NIST |
| Psub | [7.30e-03; 0.17] | kPa | [298.50; 331.30] |
|
| Psub | 7.30e-03 | kPa | 298.50 | Thermoc... |
| Psub | 0.01 | kPa | 301.60 | Thermoc... |
| Psub | 0.01 | kPa | 304.60 | Thermoc... |
| Psub | 0.02 | kPa | 307.40 | Thermoc... |
| Psub | 0.02 | kPa | 310.40 | Thermoc... |
| Psub | 0.03 | kPa | 313.40 | Thermoc... |
| Psub | 0.04 | kPa | 316.40 | Thermoc... |
| Psub | 0.06 | kPa | 319.40 | Thermoc... |
| Psub | 0.08 | kPa | 322.40 | Thermoc... |
| Psub | 0.10 | kPa | 325.40 | Thermoc... |
| Psub | 0.13 | kPa | 328.40 | Thermoc... |
| Psub | 0.17 | kPa | 331.30 | Thermoc... |
| ΔfusS | 65.12 | J/mol×K | 340.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 355.70 | K | 0.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.15; 202.66] | kPa | [333.00; 531.99] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.60385e+01 | |||
| Coefficient B | -5.31628e+03 | |||
| Coefficient C | -3.63910e+01 | |||
| Temperature range, min. | 333.00 | |||
| Temperature range, max. | 531.99 | |||
| Pvap | 0.15 | kPa | 333.00 | Calculated Property |
| Pvap | 0.53 | kPa | 355.11 | Calculated Property |
| Pvap | 1.55 | kPa | 377.22 | Calculated Property |
| Pvap | 4.02 | kPa | 399.33 | Calculated Property |
| Pvap | 9.32 | kPa | 421.44 | Calculated Property |
| Pvap | 19.72 | kPa | 443.55 | Calculated Property |
| Pvap | 38.63 | kPa | 465.66 | Calculated Property |
| Pvap | 70.85 | kPa | 487.77 | Calculated Property |
| Pvap | 122.81 | kPa | 509.88 | Calculated Property |
| Pvap | 202.66 | kPa | 531.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,6-dichloro-.
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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