- InChI
- InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
- InChI Key
- UMPSXRYVXUPCOS-UHFFFAOYSA-N
- Formula
- C6H4Cl2O
- SMILES
- Oc1cccc(Cl)c1Cl
- Molecular Weight1
- 163.00
- CAS
- 576-24-9
- Other Names
-
- 2,3-Dichlorophenol
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -2756.88 | kJ/mol | NIST |
| ΔfG° | -76.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -151.60 ± 2.50 | kJ/mol | NIST |
| ΔfH°solid | -223.30 ± 1.10 | kJ/mol | NIST |
| ΔfusH° | 19.13 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [71.70; 76.90] | kJ/mol |
|
| ΔsubH° | 76.90 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 71.70 ± 2.20 | kJ/mol | NIST |
| ΔsubH° | 71.70 ± 2.20 | kJ/mol | NIST |
| ΔvapH° | 57.30 ± 0.20 | kJ/mol | NIST |
| log10WS | [-1.30; -1.30] |
|
|
| log10WS | -1.30 | Aq. Sol... | |
| log10WS | -1.30 | Estimat... | |
| logPoct/wat | 2.699 | Crippen Calculated Property | |
| McVol | 101.990 | ml/mol | McGowan Calculated Property |
| Pc | 5080.25 | kPa | Joback Calculated Property |
| Inp | [1144.00; 1200.00] |
|
|
| Inp | 1180.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Inp | 1188.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1193.50 | NIST | |
| Inp | Outlier 1144.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1193.50 | NIST | |
| Inp | 1200.00 | NIST | |
| I | [2107.00; 2160.00] |
|
|
| I | 2160.00 | NIST | |
| I | 2160.00 | NIST | |
| I | 2143.00 | NIST | |
| I | 2152.00 | NIST | |
| I | 2131.00 | NIST | |
| I | 2107.00 | NIST | |
| I | 2117.00 | NIST | |
| Tboil | 479.20 | K | NIST |
| Tc | 770.43 | K | Joback Calculated Property |
| Tfus | [330.00; 330.82] | K |
|
| Tfus | 330.82 | K | Aq. Sol... |
| Tfus | 330.00 ± 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 | [21.36; 21.36] | kJ/mol | [330.00; 330.00] |
|
| ΔfusH | 21.36 | kJ/mol | 330.00 | NIST |
| ΔfusH | 21.36 | kJ/mol | 330.00 | NIST |
| ΔfusH | 21.36 | kJ/mol | 330.00 | NIST |
| Psub | [7.80e-03; 0.18] | kPa | [294.30; 327.30] |
|
| Psub | 7.80e-03 | kPa | 294.30 | Thermoc... |
| Psub | 0.01 | kPa | 297.30 | Thermoc... |
| Psub | 0.01 | kPa | 300.20 | Thermoc... |
| Psub | 0.02 | kPa | 303.20 | Thermoc... |
| Psub | 0.03 | kPa | 306.20 | Thermoc... |
| Psub | 0.04 | kPa | 309.20 | Thermoc... |
| Psub | 0.05 | kPa | 312.20 | Thermoc... |
| Psub | 0.06 | kPa | 315.20 | Thermoc... |
| Psub | 0.08 | kPa | 318.10 | Thermoc... |
| Psub | 0.11 | kPa | 321.20 | Thermoc... |
| Psub | 0.14 | kPa | 324.30 | Thermoc... |
| Psub | 0.18 | kPa | 327.30 | Thermoc... |
| ΔfusS | 64.74 | J/mol×K | 330.00 | NIST |
Similar Compounds
Find more compounds similar to Phenol, 2,3-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
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