- InChI
- InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
- InChI Key
- VPOMSPZBQMDLTM-UHFFFAOYSA-N
- Formula
- C6H4Cl2O
- SMILES
- Oc1cc(Cl)cc(Cl)c1
- Molecular Weight1
- 163.00
- CAS
- 591-35-5
- Other Names
-
- 3,5-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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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 | -2749.10 ± 0.60 | kJ/mol | NIST |
| ΔfG° | -76.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -148.20 ± 1.50 | kJ/mol | NIST |
| ΔfH°solid | -231.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 19.13 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [82.80; 82.80] | kJ/mol |
|
| ΔsubH° | 82.80 ± 1.10 | kJ/mol | NIST |
| ΔsubH° | 82.80 ± 1.10 | kJ/mol | NIST |
| ΔvapH° | 53.67 | kJ/mol | Joback Calculated Property |
| log10WS | [-1.34; -1.34] |
|
|
| log10WS | -1.34 | Aq. Sol... | |
| log10WS | -1.34 | Estimat... | |
| logPoct/wat | 2.699 | Crippen Calculated Property | |
| McVol | 101.990 | ml/mol | McGowan Calculated Property |
| Pc | 5080.25 | kPa | Joback Calculated Property |
| Inp | [1358.00; 1400.00] |
|
|
| Inp | 1375.00 | NIST | |
| Inp | 1358.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | 1392.00 | NIST | |
| Inp | 1391.00 | NIST | |
| Inp | 1367.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1399.90 | NIST | |
| Inp | 1370.00 | NIST | |
| Inp | 1400.00 | NIST | |
| Inp | 1395.00 | NIST | |
| Inp | 1391.00 | NIST | |
| Inp | 1391.00 | NIST | |
| Inp | 1370.00 | NIST | |
| I | [2670.00; 2713.00] |
|
|
| I | 2675.00 | NIST | |
| I | 2675.00 | NIST | |
| I | 2691.00 | NIST | |
| I | 2713.00 | NIST | |
| I | 2707.00 | NIST | |
| I | 2670.00 | NIST | |
| I | 2700.00 | NIST | |
| Tboil | 506.20 | K | NIST |
| Tc | 770.43 | K | Joback Calculated Property |
| Tfus | [340.48; 341.00] | K |
|
| Tfus | 340.48 | K | Aq. Sol... |
| Tfus | 341.00 ± 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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 190 200 210 220 600 700 | ||||
| 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] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 400 450 500 | ||||
| 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 | [20.51; 20.51] | kJ/mol | [341.00; 341.00] |
|
| ΔfusH | 20.51 | kJ/mol | 341.00 | NIST |
| ΔfusH | 20.51 | kJ/mol | 341.00 | NIST |
| ΔfusH | 20.51 | kJ/mol | 341.00 | NIST |
| ΔsubH | 71.80 | kJ/mol | 284.00 | NIST |
| ΔfusS | 60.14 | J/mol×K | 341.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 396.20 | K | 1.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [403.69; 522.25] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.24185e+01 | |||
| Coefficient B | -8.93405e+03 | |||
| Temperature range, min. | 403.69 | |||
| Temperature range, max. | 522.25 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 450 500 | ||||
| Pvap | 1.33 | kPa | 403.69 | Calculated Property |
| Pvap | 2.68 | kPa | 416.86 | Calculated Property |
| Pvap | 5.17 | kPa | 430.04 | Calculated Property |
| Pvap | 9.59 | kPa | 443.21 | Calculated Property |
| Pvap | 17.16 | kPa | 456.38 | Calculated Property |
| Pvap | 29.72 | kPa | 469.56 | Calculated Property |
| Pvap | 49.96 | kPa | 482.73 | Calculated Property |
| Pvap | 81.68 | kPa | 495.90 | Calculated Property |
| Pvap | 130.19 | kPa | 509.08 | Calculated Property |
| Pvap | 202.68 | kPa | 522.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 3,5-dichloro-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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